# compounds

entry: C08816
name: --- - Cyasterone
formula: C29H44O8
kcf:
ATOM        37
            1   C1z C    15.9944  -14.4704
            2   C2y C    15.2883  -14.8773
            3   C1z C    16.0047  -13.6642
            4   C1x C    17.3971  -14.4911
            5   O1a O    15.9841  -15.2835
            6   C1y C    14.5923  -14.4635
            7   C2x C    15.2883  -15.6904
            8   C1y C    16.7082  -13.2719
            9   C1x C    15.3020  -13.2546
            10  C1a C    15.9978  -12.8512
            11  C1x C    17.4040  -13.6815
            12  C1z C    13.8862  -14.8669
            13  C1x C    14.5992  -13.6539
            14  C5x C    14.5855  -16.0897
            15  C1d C    16.7151  -12.4622
            16  C1y C    13.8828  -15.6835
            17  C1x C    13.1835  -14.4600
            18  C1a C    13.8793  -14.0539
            19  O5x O    14.5820  -16.8992
            20  C1c C    17.4178  -12.0553
            21  C1a C    16.0047  -12.0518
            22  O1a O    16.7082  -11.6491
            23  C1x C    13.1835  -16.0862
            24  C1y C    12.4807  -14.8669
            25  C1b C    18.1171  -12.4656
            26  O1a O    17.4109  -11.2457
            27  C1y C    12.4807  -15.6835
            28  O1a O    11.7780  -14.4600
            29  C1y C    18.8164  -12.0656
            30  O1a O    11.7780  -16.0862
            31  C1y C    19.5949  -12.2725
            32  C1y C    18.7716  -11.2595
            33  C7x C    20.0357  -11.5974
            34  O7x O    19.5260  -10.9740
            35  O7x O    20.8529  -11.5940
            36  C1a C    19.8904  -13.0386
            37  C1a C    18.0836  -10.8147
BOND        41
            1     1   3 1
            2     1   4 1
            3     1   5 1 #Down
            4     2   6 1
            5     2   7 2
            6     3   8 1
            7     3   9 1
            8     3  10 1 #Up
            9     4  11 1
            10    6  12 1
            11    6  13 1
            12    7  14 1
            13    8  15 1
            14   12  16 1
            15   12  17 1
            16   12  18 1 #Up
            17   14  19 2
            18   15  20 1
            19   15  21 1 #Down
            20   15  22 1 #Up
            21   16  23 1
            22   17  24 1
            23   20  25 1
            24   20  26 1 #Down
            25   23  27 1
            26   24  28 1 #Up
            27   25  29 1
            28   27  30 1 #Up
            29   29  31 1
            30   29  32 1
            31   31  33 1
            32   32  34 1
            33   33  35 2
            34    8  11 1
            35    9  13 1
            36   14  16 1
            37   24  27 1
            38   33  34 1
            39   31  36 1 #Up
            40    1   2 1
            41   32  37 1 #Up


entry: C08817
name: --- - Fucosterol
formula: C29H48O
kcf:
ATOM        30
            1   C1y C    -0.6103   -1.1035
            2   C1y C     0.0897   -0.7034
            3   C1y C    -1.3103   -0.6966
            4   C1x C    -0.6103   -1.9138
            5   C1z C     0.1000    0.1069
            6   C1x C     1.4897   -0.7172
            7   C1z C    -2.0138   -1.0966
            8   C1x C    -1.3035    0.1138
            9   C2x C    -1.3172   -2.3207
            10  C1y C     0.8069    0.5000
            11  C1x C    -0.5966    0.5172
            12  C1a C     0.0931    0.9207
            13  C1x C     1.5000    0.0897
            14  C2y C    -2.0172   -1.9103
            15  C1x C    -2.7172   -0.6931
            16  C1a C    -2.0207   -0.2828
            17  C1c C     0.8034    1.3103
            18  C1x C    -2.7172   -2.3172
            19  C1x C    -3.4207   -1.0966
            20  C1b C     1.5000    1.7207
            21  C1a C     0.0931    1.7207
            22  C1y C    -3.4207   -1.9103
            23  C1b C     2.2034    1.3172
            24  O1a O    -4.1241   -2.3172
            25  C2c C     2.9035    1.7241
            26  C1c C     3.6034    1.3207
            27  C2b C     2.9035    2.5379
            28  C1a C     3.6034    0.5103
            29  C1a C     4.3069    1.7310
            30  C1a C     2.2034    2.9379
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   17  21 1 #Down
            21   18  22 1
            22   20  23 1
            23   22  24 1 #Up
            24   23  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 1
            28   26  29 1
            29   27  30 1
            30    8  11 1
            31    9  14 2
            32   10  13 1
            33   19  22 1


entry: C08819
name: --- - Inokosterone
formula: C27H44O7
kcf:
ATOM        34
            1   C1z C     0.1828   -0.5621
            2   C2y C    -0.5172   -0.9621
            3   C1z C     0.1931    0.2483
            4   C1x C     1.5828   -0.5793
            5   O1a O     0.1759   -1.3690
            6   C1y C    -1.2172   -0.5517
            7   C2x C    -0.5172   -1.7724
            8   C1y C     0.9000    0.6448
            9   C1x C    -0.5034    0.6586
            10  C1a C     0.1897    1.0586
            11  C1x C     1.5931    0.2310
            12  C1z C    -1.9207   -0.9517
            13  C1x C    -1.2103    0.2586
            14  C5x C    -1.2241   -2.1759
            15  C1d C     0.8966    1.4552
            16  C1y C    -1.9241   -1.7655
            17  C1x C    -2.6241   -0.5483
            18  C1a C    -1.9276   -0.1414
            19  O5x O    -1.2276   -2.9897
            20  C1c C     1.5931    1.8586
            21  C1a C     0.1897    1.8586
            22  O1a O     0.8931    2.2690
            23  C1x C    -2.6241   -2.1724
            24  C1y C    -3.3276   -0.9517
            25  C1b C     2.2966    1.4586
            26  O1a O     1.5897    2.6724
            27  C1y C    -3.3276   -1.7655
            28  O1a O    -4.0310   -0.5483
            29  C1b C     2.9966    1.8621
            30  O1a O    -4.0310   -2.1759
            31  C1c C     3.6966    1.4621
            32  C1b C     4.4000    1.8690
            33  C1a C     3.6966    0.6517
            34  O1a O     5.1000    1.4621
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   12  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   14  19 2
            19   15  20 1
            20   15  21 1 #Down
            21   15  22 1 #Up
            22   16  23 1
            23   17  24 1
            24   20  25 1
            25   20  26 1 #Down
            26   23  27 1
            27   24  28 1 #Up
            28   25  29 1
            29   27  30 1 #Up
            30   29  31 1
            31   31  32 1
            32   31  33 1 #Down
            33   32  34 1
            34    8  11 1
            35    9  13 1
            36   14  16 1
            37   24  27 1


entry: C08821
name: --- - Isofucosterol
formula: C29H48O
kcf:
ATOM        30
            1   C1y C    -0.6621   -1.1000
            2   C1y C     0.0379   -0.7000
            3   C1y C    -1.3621   -0.6931
            4   C1x C    -0.6621   -1.9103
            5   C1z C     0.0483    0.1103
            6   C1x C     1.4379   -0.7138
            7   C1z C    -2.0655   -1.0931
            8   C1x C    -1.3552    0.1172
            9   C2x C    -1.3690   -2.3172
            10  C1y C     0.7552    0.5034
            11  C1x C    -0.6483    0.5207
            12  C1a C     0.0448    0.9241
            13  C1x C     1.4483    0.0931
            14  C2y C    -2.0690   -1.9069
            15  C1x C    -2.7655   -0.6897
            16  C1a C    -2.0724   -0.2793
            17  C1c C     0.7621    1.3138
            18  C1x C    -2.7655   -2.3138
            19  C1x C    -3.4724   -1.0931
            20  C1b C     1.4621    1.7207
            21  C1a C     0.0517    1.7241
            22  C1y C    -3.4724   -1.9069
            23  C1b C     2.1655    1.3103
            24  O1a O    -4.1759   -2.3138
            25  C2c C     2.8655    1.7138
            26  C1c C     3.5655    1.3069
            27  C2b C     2.8655    2.5276
            28  C1a C     3.5655    0.5000
            29  C1a C     4.2690    1.7138
            30  C1a C     3.5655    2.9276
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   17  21 1 #Down
            21   18  22 1
            22   20  23 1
            23   22  24 1 #Up
            24   23  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 1
            28   26  29 1
            29   27  30 1
            30    8  11 1
            31    9  14 2
            32   10  13 1
            33   19  22 1


entry: C08823
name: --- - Lichesterol
formula: C28H44O
kcf:
ATOM        29
            1   C1y C     0.1655   -0.5966
            2   C2y C    -0.5310   -0.9966
            3   C1z C     0.1759    0.2069
            4   C1x C     1.5621   -0.6138
            5   C2y C    -1.2379   -0.5897
            6   C1x C    -0.5310   -1.8069
            7   C1y C     0.8793    0.6000
            8   C1x C    -0.5172    0.6172
            9   C1a C     0.1690    1.0138
            10  C1x C     1.5724    0.1897
            11  C1z C    -1.9276   -0.9897
            12  C1x C    -1.2207    0.2172
            13  C2x C    -1.2345   -2.2069
            14  C1c C     0.8724    1.4069
            15  C2y C    -1.9310   -1.8000
            16  C1x C    -2.6276   -0.5862
            17  C1a C    -1.9345   -0.1793
            18  C2b C     1.5690    1.8103
            19  C1a C     0.1690    1.8069
            20  C1x C    -2.6276   -2.2069
            21  C1x C    -3.3310   -0.9897
            22  C2b C     2.2655    1.4103
            23  C1y C    -3.3310   -1.8000
            24  C1c C     2.9655    1.8138
            25  O1a O    -4.0276   -2.2069
            26  C1c C     3.6621    1.4138
            27  C1a C     2.9621    2.6241
            28  C1a C     4.3621    1.8207
            29  C1a C     3.6621    0.6069
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 2
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   24  27 1 #Down
            27   26  28 1
            28   26  29 1
            29    7  10 1
            30    8  12 1
            31   13  15 2
            32   21  23 1


entry: C08825
name: --- - Lophenol - 4-Methylcholest-7-en-3-ol - 4alpha-Methyl-5alpha-cholest-7-en-3beta-ol
formula: C28H48O
kcf:
ATOM        29
            1   C1y C    17.6733  -14.5871
            2   C2y C    16.9733  -14.9940
            3   C1z C    17.6836  -13.7802
            4   C1x C    19.0733  -14.6078
            5   C1y C    16.2733  -14.5802
            6   C2x C    16.9733  -15.8043
            7   C1y C    18.3905  -13.3871
            8   C1x C    16.9871  -13.3733
            9   C1a C    17.6767  -12.9698
            10  C1x C    19.0836  -13.7974
            11  C1z C    15.5698  -14.9836
            12  C1x C    16.2802  -13.7698
            13  C1x C    16.2664  -16.2078
            14  C1c C    18.3871  -12.5767
            15  C1y C    15.5664  -15.7974
            16  C1x C    14.8664  -14.5767
            17  C1a C    15.5629  -14.1733
            18  C1b C    19.0836  -12.1698
            19  C1a C    17.6767  -12.1698
            20  C1y C    14.8664  -16.2043
            21  C1x C    14.1629  -14.9836
            22  C1b C    19.7871  -12.5733
            23  C1y C    14.1629  -15.7974
            24  C1a C    14.8560  -17.0181
            25  C1b C    20.4871  -12.1629
            26  O1a O    13.4595  -16.2078
            27  C1c C    21.1871  -12.5698
            28  C1a C    21.1871  -13.3767
            29  C1a C    21.8905  -12.1595
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   20  24 1 #Down
            24   22  25 1
            25   23  26 1 #Up
            26   25  27 1
            27   27  28 1
            28   27  29 1
            29    7  10 1
            30    8  12 1
            31   13  15 1
            32   21  23 1


entry: C08829
name: --- - Makisterone B
formula: C28H46O7
kcf:
ATOM        35
            1   C2y C    -0.6172   -1.0379
            2   C1z C     0.0828   -0.6379
            3   C1y C    -1.3172   -0.6276
            4   C2x C    -0.6172   -1.8483
            5   C1z C     0.0931    0.1690
            6   C1x C     1.4828   -0.6552
            7   O1a O     0.0759   -1.4448
            8   C1z C    -2.0241   -1.0310
            9   C1x C    -1.3103    0.1828
            10  C5x C    -1.3241   -2.2517
            11  C1y C     0.8000    0.5690
            12  C1x C    -0.6034    0.5828
            13  C1a C     0.0862    0.9828
            14  C1x C     1.4931    0.1517
            15  C1y C    -2.0276   -1.8414
            16  C1x C    -2.7207   -0.6241
            17  C1a C    -2.0310   -0.2172
            18  O5x O    -1.3345   -3.0621
            19  C1d C     0.8034    1.3793
            20  C1x C    -2.7207   -2.2517
            21  C1y C    -3.4310   -1.0310
            22  C1c C     1.5035    1.7793
            23  C1a C     0.0966    1.7828
            24  O1a O     0.8000    2.1931
            25  C1y C    -3.4310   -1.8414
            26  O1a O    -4.1310   -0.6241
            27  C1b C     2.2069    1.3759
            28  O1a O     1.5000    2.5931
            29  O1a O    -4.1310   -2.2517
            30  C1c C     2.9069    1.7759
            31  C1c C     3.6069    1.3690
            32  C1a C     2.9035    2.5931
            33  C1b C     4.3103    1.7690
            34  C1a C     4.0103    0.6655
            35  O1a O     5.0103    1.3655
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    8  15 1
            15    8  16 1
            16    8  17 1 #Up
            17   10  18 2
            18   11  19 1
            19   15  20 1
            20   16  21 1
            21   19  22 1
            22   19  23 1 #Down
            23   19  24 1 #Up
            24   20  25 1
            25   21  26 1 #Up
            26   22  27 1
            27   22  28 1 #Down
            28   25  29 1 #Up
            29   27  30 1
            30   30  31 1
            31   30  32 1 #Up
            32   31  33 1
            33   31  34 1
            34   33  35 1
            35    9  12 1
            36   10  15 1
            37   11  14 1
            38   21  25 1


entry: C08830
name: --- - 24-Methylenecycloartanol - 9,19-Cyclolanostan-3-o1, 24-methylene-, (3beta)-
formula: C31H52O
kcf:
ATOM        32
            1   C1z C    -1.0793   -0.3724
            2   C1z C    -1.7862   -0.7724
            3   C1y C    -0.3759   -0.7793
            4   C1x C    -1.7931    0.0448
            5   C1x C    -1.0724    0.4448
            6   C1y C    -1.7897   -1.5862
            7   C1x C    -2.4897   -0.3690
            8   C1z C     0.3276   -0.3793
            9   C1x C    -0.3759   -1.5931
            10  C1x C    -0.3621    0.8483
            11  C1z C    -2.4897   -2.0000
            12  C1x C    -1.0862   -2.0035
            13  C1x C    -3.1966   -0.7724
            14  C1z C     0.3379    0.4310
            15  C1x C     1.7379   -0.3966
            16  C1a C     0.3207   -1.2069
            17  C1y C    -3.1966   -1.5862
            18  C1a C    -2.8241   -2.6586
            19  C1a C    -2.2138   -2.7000
            20  C1y C     1.0517    0.8345
            21  C1a C     0.3345    1.2483
            22  C1x C     1.7483    0.4138
            23  O1a O    -3.9069   -2.0000
            24  C1c C     1.0483    1.6517
            25  C1b C     1.7483    2.0552
            26  C1a C     0.3345    2.0517
            27  C1b C     2.4552    1.6552
            28  C2c C     3.1552    2.0586
            29  C1c C     3.8586    1.6586
            30  C2a C     3.1552    2.8759
            31  C1a C     3.8586    0.8483
            32  C1a C     4.5690    2.0655
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    8  15 1
            15    8  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   11  19 1
            19   14  20 1
            20   14  21 1 #Up
            21   15  22 1
            22   17  23 1 #Up
            23   20  24 1
            24   24  25 1
            25   24  26 1 #Down
            26   25  27 1
            27   27  28 1
            28   28  29 1
            29   28  30 2
            30   29  31 1
            31   29  32 1
            32    2   4 1 #Up
            33    9  12 1
            34   10  14 1
            35   13  17 1
            36   20  22 1


entry: C08831
name: --- - Miroestrol
formula: C20H22O6
kcf:
ATOM        26
            1   C1y C     0.9069    0.5345
            2   C1z C     0.8931   -0.2517
            3   C1y C     0.2276    0.9310
            4   C1y C     1.5793    0.9276
            5   C2y C     0.2138   -0.6345
            6   C5x C     2.0207    0.2069
            7   O1a O     1.2793   -0.9241
            8   C1z C    -0.4586    0.5483
            9   C1x C     0.2276    1.7207
            10  C1z C     1.5793    1.7138
            11  O1a O     2.3586    0.9310
            12  C1y C    -0.4655   -0.2414
            13  C2x C     0.2138   -1.4172
            14  C1x C     2.0207    1.7621
            15  O5x O     2.5724   -0.3517
            16  C1a C    -1.2483    0.5483
            17  C1a C    -0.8586    1.2310
            18  O1a O     1.5759    2.5069
            19  C8y C    -1.1483   -0.6276
            20  O2x O    -0.4724   -1.8103
            21  C8y C    -1.1552   -1.4103
            22  C8x C    -1.8276   -0.2379
            23  C8x C    -1.8276   -1.8069
            24  C8x C    -2.5069   -0.6276
            25  C8y C    -2.5069   -1.4103
            26  O1a O    -3.1862   -1.8069
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1 #Down
            11    5  12 1
            12    5  13 2
            13    6  14 1
            14    6  15 2
            15    8  16 1
            16    8  17 1
            17   10  18 1 #Down
            18   12  19 1
            19   13  20 1
            20   19  21 2
            21   19  22 1
            22   21  23 1
            23   22  24 2
            24   23  25 2
            25   25  26 1
            26    8  12 1
            27    9  10 1
            28   10  14 1 #Up
            29   20  21 1
            30   24  25 1


entry: C08832
name: --- - Podecdysone B
formula: C27H42O6
kcf:
ATOM        33
            1   C2y C    -1.1897   -0.5828
            2   C2y C    -0.4897   -0.9897
            3   C1z C    -1.8931   -0.9828
            4   C1x C    -1.1828    0.2276
            5   C2y C     0.2103   -0.5897
            6   C1x C    -0.4897   -1.8000
            7   C1y C    -1.9000   -1.7966
            8   C1x C    -2.6000   -0.5793
            9   C1a C    -1.9035   -0.1690
            10  C1x C    -0.4759    0.6310
            11  C1z C     0.2207    0.2172
            12  C2x C     1.6103   -0.6069
            13  C5x C    -1.1966   -2.2069
            14  C1x C    -2.6000   -2.2034
            15  C1y C    -3.3034   -0.9828
            16  C1y C     0.9276    0.6138
            17  C1a C     0.2138    1.0310
            18  C1x C     1.6207    0.2000
            19  O5x O    -1.2000   -3.0172
            20  C1y C    -3.3034   -1.7966
            21  O1a O    -4.0034   -0.5793
            22  C1d C     0.9241    1.4276
            23  O1a O    -4.0034   -2.2034
            24  C1c C     1.6172    1.8310
            25  C1a C     0.2138    1.8310
            26  O1a O     0.9172    2.2379
            27  C1b C     2.3241    1.4310
            28  O1a O     1.6138    2.6414
            29  C1b C     3.0241    1.8345
            30  C1d C     3.7241    1.4345
            31  C1a C     3.7241    0.6276
            32  C1a C     4.4276    1.8414
            33  O1a O     4.4276    1.0276
BOND        36
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   12  18 1
            18   13  19 2
            19   14  20 1
            20   15  21 1 #Up
            21   16  22 1
            22   20  23 1 #Up
            23   22  24 1
            24   22  25 1 #Down
            25   22  26 1 #Up
            26   24  27 1
            27   24  28 1 #Down
            28   27  29 1
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 1
            33    7  13 1
            34   10  11 1
            35   15  20 1
            36   16  18 1


entry: C08833
name: --- - Pollinastanol
formula: C28H48O
kcf:
ATOM        29
            1   C1z C    -1.1379   -0.4517
            2   C1z C    -1.8414   -0.8552
            3   C1y C    -0.4379   -0.8621
            4   C1x C    -1.8483   -0.0414
            5   C1x C    -1.1310    0.3586
            6   C1y C    -1.8448   -1.6655
            7   C1x C    -2.5448   -0.4517
            8   C1z C     0.2621   -0.4621
            9   C1x C    -0.4379   -1.6724
            10  C1x C    -0.4241    0.7586
            11  C1x C    -1.1448   -2.0793
            12  C1x C    -2.5448   -2.0759
            13  C1x C    -3.2483   -0.8552
            14  C1z C     0.2724    0.3448
            15  C1x C     1.6621   -0.4793
            16  C1a C     0.2552   -1.2724
            17  C1y C    -3.2483   -1.6655
            18  C1y C     0.9793    0.7414
            19  C1a C     0.2690    1.1586
            20  C1x C     1.6724    0.3276
            21  O1a O    -3.9517   -2.0759
            22  C1c C     0.9759    1.5552
            23  C1b C     1.6724    1.9586
            24  C1a C     0.2690    1.9552
            25  C1b C     2.3759    1.5586
            26  C1b C     3.0759    1.9621
            27  C1c C     3.7759    1.5621
            28  C1a C     3.7759    0.7552
            29  C1a C     4.4828    1.9690
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    8  15 1
            15    8  16 1 #Down
            16   12  17 1
            17   14  18 1
            18   14  19 1 #Up
            19   15  20 1
            20   17  21 1 #Up
            21   18  22 1
            22   22  23 1
            23   22  24 1 #Down
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   27  29 1
            29    2   4 1 #Up
            30    9  11 1
            31   10  14 1
            32   13  17 1
            33   18  20 1


entry: C08834
name: --- - Polypodine B
formula: C27H44O8
kcf:
ATOM        35
            1   C1z C     5.0594  -12.5016
            2   C2y C     4.3594  -12.9016
            3   C1z C     5.0697  -11.6947
            4   C1x C     6.4594  -12.5189
            5   O1a O     5.0525  -13.3120
            6   C1y C     3.6594  -12.4947
            7   C2x C     4.3594  -13.7120
            8   C1y C     5.7766  -11.2982
            9   C1x C     4.3732  -11.2809
            10  C1a C     5.0628  -10.8809
            11  C1x C     6.4697  -11.7120
            12  C1z C     2.9559  -12.8947
            13  C1x C     3.6663  -11.6844
            14  C5x C     3.6525  -14.1189
            15  C1d C     5.7801  -10.4844
            16  C1z C     2.9525  -13.7085
            17  C1x C     2.2559  -12.4913
            18  C1a C     2.9456  -12.0809
            19  O5x O     3.6421  -14.9292
            20  C1c C     6.4801  -10.0844
            21  C1a C     5.0732  -10.0809
            22  O1a O     5.7766   -9.6740
            23  C1x C     2.2559  -14.1154
            24  O1a O     2.9421  -14.5154
            25  C1y C     1.5456  -12.8947
            26  C1b C     7.1835  -10.4913
            27  O1a O     6.4766   -9.2740
            28  C1y C     1.5456  -13.7085
            29  O1a O     0.8456  -12.4913
            30  C1b C     7.8835  -10.0913
            31  O1a O     0.8456  -14.1154
            32  C1d C     8.5835  -10.4947
            33  C1a C     9.2904  -10.0913
            34  O1a O     9.2870  -10.9016
            35  C1a C     8.5835  -11.3016
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   12  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   14  19 2
            19   15  20 1
            20   15  21 1 #Down
            21   15  22 1 #Up
            22   16  23 1
            23   16  24 1 #Up
            24   17  25 1
            25   20  26 1
            26   20  27 1 #Down
            27   23  28 1
            28   25  29 1 #Up
            29   26  30 1
            30   28  31 1 #Up
            31   30  32 1
            32   32  33 1
            33   32  34 1
            34   32  35 1
            35    8  11 1
            36    9  13 1
            37   14  16 1
            38   25  28 1


entry: C08835
name: --- - Ponasterone A
formula: C27H44O6
kcf:
ATOM        33
            1   C2y C    -0.3655   -0.9138
            2   C1z C     0.3345   -0.5138
            3   C1y C    -1.0655   -0.5069
            4   C2x C    -0.3655   -1.7241
            5   C1z C     0.3448    0.2931
            6   C1x C     1.7345   -0.5310
            7   O1a O     0.3276   -1.3241
            8   C1z C    -1.7690   -0.9069
            9   C1x C    -1.0586    0.3034
            10  C5x C    -1.0724   -2.1310
            11  C1y C     1.0517    0.6897
            12  C1x C    -0.3517    0.7069
            13  C1a C     0.3379    1.1069
            14  C1x C     1.7448    0.2759
            15  C1y C    -1.7724   -1.7207
            16  C1x C    -2.4690   -0.5034
            17  C1a C    -1.7793   -0.0931
            18  O5x O    -1.0759   -2.9414
            19  C1d C     1.0552    1.5035
            20  C1x C    -2.4690   -2.1276
            21  C1y C    -3.1793   -0.9069
            22  C1c C     1.7552    1.9035
            23  C1a C     0.3517    1.9103
            24  O1a O     1.0517    2.3138
            25  C1y C    -3.1793   -1.7207
            26  O1a O    -3.8793   -0.5034
            27  C1b C     2.4586    1.4966
            28  O1a O     1.7517    2.7138
            29  O1a O    -3.8793   -2.1276
            30  C1b C     3.1586    1.8966
            31  C1c C     3.8586    1.4931
            32  C1a C     3.8586    0.6862
            33  C1a C     4.5655    1.8966
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    8  15 1
            15    8  16 1
            16    8  17 1 #Up
            17   10  18 2
            18   11  19 1
            19   15  20 1
            20   16  21 1
            21   19  22 1
            22   19  23 1 #Down
            23   19  24 1 #Up
            24   20  25 1
            25   21  26 1 #Up
            26   22  27 1
            27   22  28 1 #Down
            28   25  29 1 #Up
            29   27  30 1
            30   30  31 1
            31   31  32 1
            32   31  33 1
            33    9  12 1
            34   10  15 1
            35   11  14 1
            36   21  25 1


entry: C08836
name: --- - Poriferasterol
formula: C29H48O
kcf:
ATOM        30
            1   C1y C    -0.6103   -1.0931
            2   C1y C     0.0862   -0.6966
            3   C1y C    -1.3069   -0.6897
            4   C1x C    -0.6103   -1.9000
            5   C1z C     0.0966    0.1069
            6   C1x C     1.4759   -0.7103
            7   C1z C    -2.0069   -1.0862
            8   C1x C    -1.3000    0.1138
            9   C2x C    -1.3138   -2.3069
            10  C1y C     0.7966    0.5000
            11  C1x C    -0.5966    0.5172
            12  C1a C     0.0931    0.9172
            13  C1x C     1.4862    0.0897
            14  C2y C    -2.0103   -1.8966
            15  C1x C    -2.7069   -0.6862
            16  C1a C    -2.0138   -0.2759
            17  C1c C     0.8000    1.3069
            18  C1x C    -2.7069   -2.3034
            19  C1x C    -3.4103   -1.0862
            20  C2b C     1.4966    1.7103
            21  C1a C     0.1034    1.7172
            22  C1y C    -3.4103   -1.8966
            23  C2b C     2.2000    1.3035
            24  O1a O    -4.1069   -2.3034
            25  C1c C     2.9000    1.7035
            26  C1c C     3.5966    1.3000
            27  C1b C     2.9000    2.5138
            28  C1a C     3.5966    0.4966
            29  C1a C     4.3000    1.7035
            30  C1a C     2.1862    2.9241
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   17  21 1 #Down
            21   18  22 1
            22   20  23 2
            23   22  24 1 #Up
            24   23  25 1
            25   25  26 1
            26   25  27 1 #Down
            27   26  28 1
            28   26  29 1
            29   27  30 1
            30    8  11 1
            31    9  14 2
            32   10  13 1
            33   19  22 1


entry: C08837
name: --- - Poststerone
formula: C21H30O5
kcf:
ATOM        26
            1   C2y C     0.4276   -0.4310
            2   C1z C     1.1241   -0.0310
            3   C1y C    -0.2690   -0.0241
            4   C2x C     0.4276   -1.2379
            5   C1z C     1.1345    0.7724
            6   C1x C     2.5207   -0.0483
            7   O1a O     1.1172   -0.8379
            8   C1z C    -0.9690   -0.4241
            9   C1x C    -0.2621    0.7828
            10  C5x C    -0.2759   -1.6448
            11  C1y C     1.8379    1.1655
            12  C1x C     0.4414    1.1793
            13  C1a C     1.1310    1.5793
            14  C1x C     2.5310    0.7552
            15  C1y C    -0.9724   -1.2345
            16  C1x C    -1.6655   -0.0207
            17  C1a C    -0.9759    0.3828
            18  O5x O    -0.2793   -2.4517
            19  C5a C     1.8379    1.9759
            20  C1x C    -1.6655   -1.6414
            21  C1y C    -2.3690   -0.4241
            22  C1a C     1.1379    2.3793
            23  O5a O     2.5379    2.3759
            24  C1y C    -2.3690   -1.2345
            25  O1a O    -3.0690   -0.0207
            26  O1a O    -3.0690   -1.6414
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    8  15 1
            15    8  16 1
            16    8  17 1 #Up
            17   10  18 2
            18   11  19 1
            19   15  20 1
            20   16  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   21  25 1 #Up
            25   24  26 1 #Up
            26    9  12 1
            27   10  15 1
            28   11  14 1
            29   21  24 1


entry: C08838
name: --- - Pterosterone
formula: C27H44O7
kcf:
ATOM        34
            1   C2y C    -0.4552   -0.9966
            2   C1z C     0.2448   -0.5966
            3   C1y C    -1.1552   -0.5862
            4   C2x C    -0.4552   -1.8069
            5   C1z C     0.2552    0.2103
            6   C1x C     1.6448   -0.6138
            7   O1a O     0.2379   -1.4069
            8   C1z C    -1.8586   -0.9897
            9   C1x C    -1.1483    0.2241
            10  C5x C    -1.1621   -2.2138
            11  C1y C     0.9621    0.6069
            12  C1x C    -0.4414    0.6241
            13  C1a C     0.2483    1.0241
            14  C1x C     1.6552    0.1931
            15  C1y C    -1.8621   -1.8000
            16  C1x C    -2.5621   -0.5862
            17  C1a C    -1.8655   -0.1759
            18  O5x O    -1.1655   -3.0241
            19  C1d C     0.9586    1.4207
            20  C1x C    -2.5621   -2.2103
            21  C1y C    -3.2655   -0.9897
            22  C1c C     1.6552    1.8241
            23  C1a C     0.2517    1.8207
            24  O1a O     0.9552    2.2310
            25  C1y C    -3.2655   -1.8000
            26  O1a O    -3.9690   -0.5828
            27  C1b C     2.3586    1.4241
            28  O1a O     1.6483    2.6379
            29  O1a O    -3.9690   -2.2103
            30  C1c C     3.0586    1.8276
            31  C1c C     3.7586    1.4276
            32  O1a O     3.0552    2.6414
            33  C1a C     3.7586    0.6207
            34  C1a C     4.4621    1.8345
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    8  15 1
            15    8  16 1
            16    8  17 1 #Up
            17   10  18 2
            18   11  19 1
            19   15  20 1
            20   16  21 1
            21   19  22 1
            22   19  23 1 #Down
            23   19  24 1 #Up
            24   20  25 1
            25   21  26 1 #Up
            26   22  27 1
            27   22  28 1 #Down
            28   25  29 1 #Up
            29   27  30 1
            30   30  31 1
            31   30  32 1 #Down
            32   31  33 1
            33   31  34 1
            34    9  12 1
            35   10  15 1
            36   11  14 1
            37   21  25 1


entry: C08839
name: --- - Schottenol
formula: C29H50O
kcf:
ATOM        30
            1   C2y C    -0.6069   -1.1035
            2   C1y C     0.0931   -0.7034
            3   C1y C    -1.3103   -0.6966
            4   C2x C    -0.6069   -1.9138
            5   C1z C     0.1034    0.1069
            6   C1x C     1.4931   -0.7172
            7   C1z C    -2.0138   -1.0966
            8   C1x C    -1.3035    0.1138
            9   C1x C    -1.3172   -2.3207
            10  C1y C     0.8103    0.5000
            11  C1x C    -0.5931    0.5172
            12  C1a C     0.0966    0.9207
            13  C1x C     1.5035    0.0897
            14  C1y C    -2.0172   -1.9103
            15  C1x C    -2.7172   -0.6931
            16  C1a C    -2.0207   -0.2828
            17  C1c C     0.8034    1.3103
            18  C1x C    -2.7172   -2.3172
            19  C1x C    -3.4207   -1.0966
            20  C1b C     1.5000    1.7207
            21  C1a C     0.0966    1.7172
            22  C1y C    -3.4207   -1.9103
            23  C1b C     2.2034    1.3172
            24  O1a O    -4.1207   -2.3172
            25  C1c C     2.9035    1.7241
            26  C1c C     3.6034    1.3207
            27  C1b C     2.9000    2.5379
            28  C1a C     3.6034    0.5103
            29  C1a C     4.3103    1.7310
            30  C1a C     2.1828    2.9483
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   17  21 1 #Down
            21   18  22 1
            22   20  23 1
            23   22  24 1 #Up
            24   23  25 1
            25   25  26 1
            26   25  27 1 #Up
            27   26  28 1
            28   26  29 1
            29   27  30 1
            30    8  11 1
            31    9  14 1
            32   10  13 1
            33   19  22 1


entry: C08840
name: --- - alpha-Spinasterol - Spinasterol
formula: C29H48O
kcf:
ATOM        30
            1   C2y C    -0.6069   -1.1035
            2   C1y C     0.0931   -0.7034
            3   C1y C    -1.3103   -0.6966
            4   C2x C    -0.6069   -1.9138
            5   C1z C     0.1034    0.1069
            6   C1x C     1.4931   -0.7172
            7   C1z C    -2.0138   -1.0966
            8   C1x C    -1.3035    0.1138
            9   C1x C    -1.3172   -2.3207
            10  C1y C     0.8103    0.5000
            11  C1x C    -0.5931    0.5172
            12  C1a C     0.0966    0.9207
            13  C1x C     1.5035    0.0897
            14  C1y C    -2.0172   -1.9103
            15  C1x C    -2.7172   -0.6931
            16  C1a C    -2.0207   -0.2828
            17  C1c C     0.8034    1.3103
            18  C1x C    -2.7172   -2.3172
            19  C1x C    -3.4207   -1.0966
            20  C2b C     1.5000    1.7207
            21  C1a C     0.0966    1.7172
            22  C1y C    -3.4207   -1.9103
            23  C2b C     2.2069    1.3138
            24  O1a O    -4.1207   -2.3172
            25  C1c C     2.9035    1.7241
            26  C1c C     3.6034    1.3207
            27  C1b C     2.9000    2.5379
            28  C1a C     3.6034    0.5103
            29  C1a C     4.3103    1.7310
            30  C1a C     2.1828    2.9483
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   17  21 1 #Down
            21   18  22 1
            22   20  23 2
            23   22  24 1 #Up
            24   23  25 1
            25   25  26 1
            26   25  27 1 #Up
            27   26  28 1
            28   26  29 1
            29   27  30 1
            30    8  11 1
            31    9  14 1
            32   10  13 1
            33   19  22 1


entry: C08841
name: --- - Withaferin A
formula: C28H38O6
kcf:
ATOM        34
            1   C1z C    13.8349  -16.3272
            2   C1z C    13.8384  -15.5134
            3   C1y C    14.5349  -16.7375
            4   O2x O    13.8280  -17.1341
            5   C1y C    13.1349  -16.7341
            6   C1y C    14.5418  -15.1134
            7   C5x C    13.1349  -15.1099
            8   C1a C    13.8315  -14.6996
            9   C1x C    15.2418  -16.3306
            10  C2x C    12.4315  -16.3272
            11  O1a O    13.1280  -17.5478
            12  C1y C    15.2418  -15.5203
            13  C1x C    14.5487  -14.3030
            14  C2x C    12.4315  -15.5134
            15  O5x O    13.1384  -14.2961
            16  C1y C    15.9453  -15.1203
            17  C1x C    15.2522  -13.8996
            18  C1z C    15.9556  -14.3099
            19  C1x C    17.3453  -15.1341
            20  C1y C    16.6591  -13.9168
            21  C1a C    15.9487  -13.4961
            22  C1x C    17.3556  -14.3272
            23  C1c C    16.6522  -13.1065
            24  C1y C    17.3522  -12.6961
            25  C1a C    15.9487  -12.6996
            26  C1x C    18.0522  -13.0996
            27  O7x O    17.3522  -11.8892
            28  C2y C    18.7556  -12.6927
            29  C7x C    18.0487  -11.4823
            30  C2y C    18.7522  -11.8823
            31  C1a C    19.4556  -13.0961
            32  O7x O    18.0453  -10.6720
            33  C1b C    19.4487  -11.4754
            34  O1a O    20.1653  -11.8843
BOND        39
            1     1   4 1 #Up
            2     1   5 1
            3     2   6 1
            4     2   7 1
            5     2   8 1 #Up
            6     3   9 1
            7     5  10 1
            8     5  11 1 #Up
            9     6  12 1
            10    6  13 1
            11    7  14 1
            12    7  15 2
            13   12  16 1
            14   13  17 1
            15   16  18 1
            16   16  19 1
            17   18  20 1
            18   18  21 1 #Up
            19   19  22 1
            20   20  23 1
            21   23  24 1
            22   23  25 1 #Down
            23   24  26 1
            24   24  27 1
            25   26  28 1
            26   27  29 1
            27   28  30 2
            28   28  31 1
            29   29  32 2
            30   30  33 1
            31    3   4 1 #Up
            32    9  12 1
            33   10  14 2
            34   17  18 1
            35   20  22 1
            36   29  30 1
            37    1   2 1
            38    1   3 1
            39   33  34 1


entry: C08842
name: --- - Withanolide D
formula: C28H38O6
kcf:
ATOM        34
            1   C1z C     2.9551  -14.3176
            2   C1z C     2.9585  -13.5038
            3   C1y C     3.6551  -14.7279
            4   O2x O     2.9482  -15.1245
            5   C1y C     2.2551  -14.7245
            6   C1y C     3.6620  -13.1038
            7   C5x C     2.2551  -13.1003
            8   C1a C     2.9516  -12.6934
            9   C1x C     4.3585  -14.3245
            10  C2x C     1.5516  -14.3176
            11  O1a O     2.2482  -15.5383
            12  C1y C     4.3585  -13.5141
            13  C1x C     3.6689  -12.2934
            14  C2x C     1.5516  -13.5038
            15  O5x O     2.2551  -12.2900
            16  C1y C     5.0654  -13.1141
            17  C1x C     4.3723  -11.8934
            18  C1z C     5.0758  -12.3003
            19  C1x C     6.4654  -13.1279
            20  C1y C     5.7758  -11.9072
            21  C1a C     5.0689  -11.4900
            22  C1x C     6.4758  -12.3176
            23  C1d C     5.7723  -11.0969
            24  C1y C     6.4723  -10.6900
            25  C1a C     5.0689  -10.6900
            26  O1a O     5.7689  -10.2831
            27  C1x C     7.1723  -11.0934
            28  O7x O     6.4689   -9.8796
            29  C2y C     7.8758  -10.6831
            30  C7x C     7.1689   -9.4762
            31  C2y C     7.8723   -9.8762
            32  C1a C     8.5758  -11.0900
            33  O7x O     7.1654   -8.6624
            34  C1a C     8.5723   -9.4693
BOND        39
            1     1   3 1
            2     1   4 1 #Up
            3     1   5 1
            4     2   6 1
            5     2   7 1
            6     2   8 1 #Up
            7     3   9 1
            8     5  10 1
            9     5  11 1 #Up
            10    6  12 1
            11    6  13 1
            12    7  14 1
            13    7  15 2
            14   12  16 1
            15   13  17 1
            16   16  18 1
            17   16  19 1
            18   18  20 1
            19   18  21 1 #Up
            20   19  22 1
            21   20  23 1
            22   23  24 1
            23   23  25 1 #Down
            24   23  26 1 #Up
            25   24  27 1
            26   24  28 1
            27   27  29 1
            28   28  30 1
            29   29  31 2
            30   29  32 1
            31   30  33 2
            32   31  34 1
            33    3   4 1 #Up
            34    9  12 1
            35   10  14 2
            36   17  18 1
            37   20  22 1
            38   30  31 1
            39    1   2 1


entry: C08843
name: --- - Adonitoxin - Adonitoxigenin 3-O-alpha-L-rhamnoside
formula: C29H42O10
kcf:
ATOM        39
            1   C1y C     2.3762  -13.7360
            2   C1y C     2.3636  -14.5527
            3   O2x O     1.6707  -13.3167
            4   C1y C     1.6531  -14.9509
            5   O1a O     3.0666  -14.9626
            6   C1y C     0.9584  -13.7177
            7   C1y C     0.9488  -14.5363
            8   O1a O     1.6435  -15.7694
            9   C1a C     0.2559  -13.3003
            10  O1a O     0.2395  -14.9391
            11  C1z C     5.2120  -12.1079
            12  C1y C     5.9223  -11.7010
            13  C1y C     5.2085  -12.9251
            14  C1x C     4.5085  -11.7010
            15  C4a C     5.2051  -11.2906
            16  C1y C     6.6223  -12.1148
            17  C1x C     5.9292  -10.8872
            18  C1x C     5.9154  -13.3355
            19  C1x C     4.5085  -13.3320
            20  C1x C     3.7982  -12.1079
            21  O4a O     4.4947  -10.8837
            22  C1z C     7.3292  -11.7113
            23  C1x C     6.6223  -12.9320
            24  C1x C     6.6361  -10.4872
            25  C1y C     3.7982  -12.9251
            26  C1z C     7.3395  -10.9010
            27  C1x C     8.7361  -11.7286
            28  O1a O     7.3189  -12.5251
            29  O2a O     3.0947  -13.3320
            30  C1y C     8.0499  -10.5010
            31  C1a C     7.3327  -10.0837
            32  C1y C     8.7464  -10.9182
            33  C2y C     8.0464   -9.6837
            34  O1a O     9.4499  -10.5044
            35  C1x C     7.7913   -8.9113
            36  C2x C     8.8602   -9.6837
            37  O7x O     8.4533   -8.4320
            38  C7x C     9.1085   -8.9113
            39  O7x O     9.8844   -8.6527
BOND        44
            1     6   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     2   5 1 #Down
            6     3   6 1
            7     4   7 1
            8     4   8 1 #Down
            9     6   9 1 #Down
            10    7  10 1 #Up
            11   11  12 1
            12   11  13 1
            13   11  14 1
            14   11  15 1 #Up
            15   12  16 1
            16   12  17 1
            17   13  18 1
            18   13  19 1
            19   14  20 1
            20   15  21 2
            21   16  22 1
            22   16  23 1
            23   17  24 1
            24   19  25 1
            25   22  26 1
            26   22  27 1
            27   22  28 1 #Up
            28   25  29 1 #Up
            29   26  30 1
            30   26  31 1 #Up
            31   27  32 1
            32   30  33 1
            33   32  34 1 #Up
            34   33  35 1
            35   33  36 2
            36   35  37 1
            37   36  38 1
            38   38  39 2
            39   18  23 1
            40   20  25 1
            41   24  26 1
            42   30  32 1
            43   37  38 1
            44    1  29 1 #Up


entry: C08844
name: --- - Moracin A
formula: C16H14O5
kcf:
ATOM        21
            1   C8y C    -0.7828   -0.5276
            2   C8y C    -0.7793    0.3000
            3   O2x O     0.0000   -0.7862
            4   C8x C    -1.4931   -0.9379
            5   C8y C    -1.4931    0.7138
            6   C8x C     0.0069    0.5517
            7   C8y C     0.4897   -0.1172
            8   C8y C    -2.2103   -0.5241
            9   C8x C    -2.2103    0.3000
            10  O2a O    -1.4931    1.5379
            11  C8y C     1.3138   -0.1207
            12  O2a O    -2.9241   -0.9379
            13  C1a C    -2.2069    1.9517
            14  C8x C     1.7207   -0.8379
            15  C8x C     1.7276    0.5897
            16  C1a C    -3.6379   -0.5241
            17  C8y C     2.5448   -0.8414
            18  C8y C     2.5517    0.5862
            19  C8x C     2.9621   -0.1276
            20  O1a O     2.9552   -1.5586
            21  O1a O     2.9690    1.3000
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    7  11 1
            11    8  12 1
            12   10  13 1
            13   11  14 1
            14   11  15 2
            15   12  16 1
            16   14  17 2
            17   15  18 1
            18   17  19 1
            19   17  20 1
            20   18  21 1
            21    6   7 2
            22    8   9 1
            23   18  19 2


entry: C08845
name: --- - Adynerin - Adynerigenin 3-O-beta-D-diginoside
formula: C30H44O7
kcf:
ATOM        37
            1   C1y C     2.7042  -14.7500
            2   C1x C     2.7251  -15.5649
            3   O2x O     1.9854  -14.3536
            4   C1y C     2.0270  -15.9912
            5   C1y C     1.2904  -14.7815
            6   C1y C     1.3097  -15.5994
            7   O2a O     2.0479  -16.8061
            8   C1a C     0.5746  -14.3943
            9   O1a O     0.6131  -16.0303
            10  C1a C     1.3466  -17.2385
            11  C1z C     7.6581  -12.7219
            12  C1z C     6.9546  -13.1253
            13  O2x O     7.6512  -13.5357
            14  C1z C     7.6684  -11.9115
            15  C1x C     9.0684  -12.7391
            16  C1y C     6.2546  -12.7150
            17  C1x C     6.9546  -13.9426
            18  C1y C     8.3788  -11.5115
            19  C1x C     6.9684  -11.4977
            20  C1a C     7.6615  -11.0943
            21  C1x C     9.0753  -11.9288
            22  C1z C     5.5408  -13.1184
            23  C1x C     6.2581  -11.8977
            24  C1x C     6.2443  -14.3460
            25  C2y C     8.3891  -10.6943
            26  C1y C     5.5374  -13.9357
            27  C1x C     4.8374  -12.7115
            28  C1a C     5.5339  -12.3012
            29  C2x C     9.2029  -10.6943
            30  C1x C     8.1339   -9.9219
            31  C1x C     4.8374  -14.3426
            32  C1x C     4.1305  -13.1184
            33  C7x C     9.4512   -9.9219
            34  O7x O     8.7960   -9.4426
            35  C1y C     4.1305  -13.9357
            36  O7x O    10.2270   -9.6667
            37  O2a O     3.4236  -14.3426
BOND        43
            1     6   9 1 #Up
            2     7  10 1
            3     5   6 1
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     3   5 1
            8     4   6 1
            9     4   7 1 #Up
            10   11  12 1
            11   11  13 1 #Up
            12   11  14 1
            13   11  15 1
            14   12  16 1
            15   12  17 1
            16   14  18 1
            17   14  19 1
            18   14  20 1 #Up
            19   15  21 1
            20   16  22 1
            21   16  23 1
            22   17  24 1
            23   18  25 1
            24   22  26 1
            25   22  27 1
            26   22  28 1 #Up
            27   25  29 2
            28   25  30 1
            29   26  31 1
            30   27  32 1
            31   29  33 1
            32   30  34 1
            33   31  35 1
            34   33  36 2
            35   35  37 1 #Up
            36   12  13 1 #Up
            37   18  21 1
            38   19  23 1
            39   24  26 1
            40   32  35 1
            41   33  34 1
            42    1  37 1 #Up
            43    5   8 1 #Up


entry: C08846
name: --- - Mulberrofuran A
formula: C25H28O4
kcf:
ATOM        29
            1   C8y C     1.2517    1.0069
            2   C8y C     0.4276    1.0103
            3   C8y C     1.6586    0.2897
            4   C8x C     1.6655    1.7207
            5   O2x O    -0.0621    0.3448
            6   C8x C    -0.0552    1.6828
            7   C8y C     2.4828    0.2862
            8   C1b C     1.2414   -0.4207
            9   C8y C     2.4897    1.7172
            10  C8y C    -0.8483    0.6034
            11  C8y C    -0.8448    1.4310
            12  C8x C     2.9000    1.0000
            13  O2a O     2.8931   -0.4276
            14  C2b C     0.4172   -0.4138
            15  O1a O     2.9035    2.4310
            16  C8x C    -1.5552    0.1931
            17  C8x C    -1.5552    1.8414
            18  C1a C     3.7172   -0.4310
            19  C2c C     0.0000   -1.1276
            20  C8y C    -2.2724    0.6034
            21  C8x C    -2.2724    1.4310
            22  C1b C    -0.8241   -1.1207
            23  C1a C     0.4069   -1.8448
            24  O1a O    -2.9862    0.1931
            25  C1b C    -1.2414   -1.8345
            26  C2b C    -2.0690   -1.8276
            27  C2c C    -2.4862   -2.5414
            28  C1a C    -3.3103   -2.5345
            29  C1a C    -2.0759   -3.2586
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   11  17 1
            17   13  18 1
            18   14  19 2
            19   16  20 2
            20   17  21 2
            21   19  22 1
            22   19  23 1
            23   20  24 1
            24   22  25 1
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   27  29 1
            29    9  12 2
            30   10  11 2
            31   20  21 1


entry: C08847
name: --- - alpha-Antiarin - Antiarigenin 3-O-beta-D-antiaroside
formula: C29H42O11
kcf:
ATOM        40
            1   C1y C     2.3583  -14.5500
            2   C1y C     2.3481  -15.3669
            3   O2x O     1.6581  -14.1286
            4   C1y C     1.6405  -15.7641
            5   O1a O     3.0535  -15.7794
            6   C1y C     0.9440  -14.5300
            7   C1y C     0.9368  -15.3486
            8   O1a O     1.6272  -16.5791
            9   C1a C     0.2421  -14.1115
            10  O1a O     0.2274  -15.7487
            11  C1z C     5.1934  -12.9193
            12  C1y C     5.9038  -12.5124
            13  C1z C     5.1900  -13.7365
            14  C1x C     4.4900  -12.5124
            15  C4a C     5.1865  -12.1020
            16  C1y C     6.6072  -12.9262
            17  C1x C     5.9107  -11.6986
            18  C1x C     4.4900  -14.1434
            19  C1x C     5.8969  -14.1469
            20  O1a O     5.1831  -14.5469
            21  C1x C     3.7831  -12.9193
            22  O4a O     4.4762  -11.6951
            23  C1z C     7.3107  -12.5227
            24  C1x C     6.6072  -13.7434
            25  C1y C     6.6210  -11.2986
            26  C1y C     3.7831  -13.7365
            27  C1z C     7.3210  -11.7124
            28  C1x C     8.7176  -12.5400
            29  O1a O     7.3038  -13.3365
            30  O1a O     6.6141  -10.4779
            31  O2a O     3.0762  -14.1434
            32  C1y C     8.0314  -11.3124
            33  C1a C     7.3141  -10.8951
            34  C1x C     8.7279  -11.7296
            35  C2y C     8.0417  -10.4986
            36  C2x C     8.8555  -10.4986
            37  C1x C     7.7865   -9.7262
            38  C7x C     9.1038   -9.7262
            39  O7x O     8.4486   -9.2469
            40  O7x O     9.8796   -9.4710
BOND        45
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1 #Down
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     6   9 1 #Up
            9     7  10 1 #Up
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   15  22 2
            21   16  23 1
            22   16  24 1
            23   17  25 1
            24   18  26 1
            25   23  27 1
            26   23  28 1
            27   23  29 1 #Up
            28   25  30 1 #Up
            29   26  31 1 #Up
            30   27  32 1
            31   27  33 1 #Up
            32   28  34 1
            33   32  35 1
            34   35  36 2
            35   35  37 1
            36   36  38 1
            37   37  39 1
            38   38  40 2
            39   19  24 1
            40   21  26 1
            41   25  27 1
            42   32  34 1
            43   38  39 1
            44    6   7 1
            45    1  31 1 #Up


entry: C08848
name: --- - Antioside - Antiogenin 3-O-alpha-L-rhamnoside
formula: C29H44O10
kcf:
ATOM        39
            1   C1y C     2.3625  -14.5458
            2   C1y C     2.3703  -15.3601
            3   O2x O     1.6509  -14.1438
            4   C1y C     1.6665  -15.7725
            5   O1a O     3.0802  -15.7651
            6   C1y C     0.9502  -14.5578
            7   C1y C     0.9580  -15.3722
            8   O1a O     1.6710  -16.5929
            9   C1a C     0.2374  -14.1511
            10  O1a O     0.2525  -15.7875
            11  C1z C     7.3219  -12.5186
            12  C1z C     7.3322  -11.7049
            13  C1y C     6.6115  -12.9221
            14  C1x C     8.7253  -12.5359
            15  O1a O     7.3115  -13.3324
            16  C1y C     8.0391  -11.3083
            17  C1y C     6.6253  -11.2945
            18  C1a C     7.3253  -10.8911
            19  C1y C     5.9115  -12.5083
            20  C1x C     6.6115  -13.7359
            21  C1x C     8.7357  -11.7221
            22  C2y C     8.0460  -10.4945
            23  C1x C     5.9184  -11.6945
            24  O1a O     6.6219  -10.4738
            25  C1z C     5.2046  -12.9152
            26  C1x C     5.9046  -14.1428
            27  C1x C     7.7977   -9.7221
            28  C2x C     8.8598  -10.4945
            29  C1z C     5.2012  -13.7324
            30  C1x C     4.5012  -12.5049
            31  C1a C     5.1943  -12.0980
            32  O7x O     8.4529   -9.2428
            33  C7x C     9.1081   -9.7221
            34  C1x C     4.5012  -14.1393
            35  O1a O     5.1908  -14.5428
            36  C1x C     3.7874  -12.9152
            37  O7x O     9.8839   -9.4635
            38  C1y C     3.7874  -13.7324
            39  O2a O     3.0805  -14.1393
BOND        44
            1     6   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     2   5 1 #Down
            6     3   6 1
            7     4   7 1
            8     4   8 1 #Down
            9     6   9 1 #Down
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   12  18 1 #Up
            17   13  19 1
            18   13  20 1
            19   14  21 1
            20   16  22 1
            21   17  23 1
            22   17  24 1 #Up
            23   19  25 1
            24   20  26 1
            25   22  27 1
            26   22  28 2
            27   25  29 1
            28   25  30 1
            29   25  31 1 #Up
            30   27  32 1
            31   28  33 1
            32   29  34 1
            33   29  35 1 #Up
            34   30  36 1
            35   33  37 2
            36   34  38 1
            37   38  39 1 #Up
            38   16  21 1
            39   19  23 1
            40   26  29 1
            41   32  33 1
            42   36  38 1
            43    7  10 1 #Up
            44    1  39 1 #Up


entry: C08849
name: --- - Asclepin
formula: C31H42O10
kcf:
ATOM        41
            1   C1z C     5.1859  -13.1056
            2   C1y C     5.8962  -12.7091
            3   C1y C     5.1755  -13.9194
            4   C1x C     4.4859  -12.6918
            5   C4a C     5.1790  -12.2884
            6   C1y C     6.5962  -13.1263
            7   C1x C     5.9135  -11.8987
            8   C1x C     4.4721  -14.3228
            9   C1x C     5.8721  -14.3366
            10  C1y C     3.7790  -13.0918
            11  O4a O     4.5997  -11.7091
            12  C1z C     7.3066  -12.7332
            13  C1x C     6.5859  -13.9401
            14  C1x C     6.6273  -11.5056
            15  C1y C     3.7721  -13.9091
            16  O2x O     3.0686  -12.6815
            17  C1z C     7.3204  -11.9228
            18  C1x C     8.7100  -12.7608
            19  O1a O     7.2997  -13.5435
            20  O2x O     3.0617  -14.3160
            21  C1z C     2.3617  -13.0884
            22  C1y C     8.0273  -11.5332
            23  C1a C     7.3135  -11.1022
            24  C1x C     8.7238  -11.9504
            25  C1y C     2.3583  -13.9022
            26  C1y C     1.6583  -12.6780
            27  O1a O     2.3549  -12.2711
            28  C2y C     8.0238  -10.7125
            29  O2x O     1.6583  -14.3125
            30  C1x C     0.9480  -13.0884
            31  O7a O     1.6514  -11.8608
            32  C1x C     7.7721   -9.9401
            33  C2x C     8.8342  -10.7125
            34  C1y C     0.9480  -13.9022
            35  C7a C     0.9411  -11.4539
            36  O7x O     8.4273   -9.4608
            37  C7x C     9.0893   -9.9401
            38  C1a C     0.2411  -14.3125
            39  C1a C     0.2376  -11.8608
            40  O7a O     0.9411  -10.6366
            41  O7x O     9.8652   -9.6884
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 1
            16   12  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Up
            23   18  24 1
            24   20  25 1
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 1
            28   25  29 1
            29   26  30 1
            30   26  31 1 #Down
            31   28  32 1
            32   28  33 2
            33   29  34 1
            34   31  35 1
            35   32  36 1
            36   33  37 1
            37   34  38 1 #Down
            38   35  39 1
            39   35  40 2
            40   37  41 2
            41    9  13 1
            42   10  15 1
            43   14  17 1
            44   21  25 1
            45   22  24 1
            46   30  34 1
            47   36  37 1


entry: C08850
name: --- - Aspecioside
formula: C29H42O10
kcf:
ATOM        39
            1   C1y C     2.2875  -14.3542
            2   C1y C     2.2602  -15.1699
            3   O2x O     1.5907  -13.9205
            4   C1y C     1.5390  -15.5536
            5   O1a O     2.9530  -15.5969
            6   C1y C     0.8725  -14.3062
            7   C1y C     0.8481  -15.1236
            8   O1a O     1.5117  -16.3694
            9   C1a C     0.1786  -13.8743
            10  O1a O     0.1270  -15.5075
            11  C1z C     6.6203  -12.9275
            12  C1z C     7.3272  -12.5240
            13  C1y C     5.9203  -12.5137
            14  C1y C     6.6203  -13.7413
            15  O2x O     7.3203  -13.3309
            16  C1z C     7.3341  -11.7102
            17  C1x C     8.7341  -12.5413
            18  O1a O     7.7272  -13.2240
            19  C1z C     5.2099  -12.9206
            20  C1x C     5.9272  -11.6999
            21  C1x C     5.9134  -14.1482
            22  C1y C     8.0478  -11.3137
            23  C1y C     6.6341  -11.2999
            24  C1a C     7.3306  -10.8964
            25  C1x C     8.7444  -11.7275
            26  C1y C     5.2065  -13.7378
            27  C1x C     4.5030  -12.5102
            28  C1a C     5.1996  -12.1033
            29  C2y C     8.0444  -10.4964
            30  O1a O     6.6306  -10.4792
            31  C1x C     4.5030  -14.1447
            32  C1x C     3.7961  -12.9206
            33  C1x C     7.7892   -9.7240
            34  C2x C     8.8582  -10.4930
            35  C1y C     3.7961  -13.7378
            36  O7x O     8.4513   -9.2447
            37  C7x C     9.1065   -9.7206
            38  O2a O     3.0892  -14.1447
            39  O7x O     9.8823   -9.4654
BOND        45
            1     6   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     2   5 1 #Down
            6     3   6 1
            7     4   7 1
            8     4   8 1 #Down
            9     6   9 1 #Up
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   12  18 1 #Up
            17   13  19 1
            18   13  20 1
            19   14  21 1
            20   16  22 1
            21   16  23 1
            22   16  24 1 #Up
            23   17  25 1
            24   19  26 1
            25   19  27 1
            26   19  28 1 #Up
            27   22  29 1
            28   23  30 1 #Up
            29   26  31 1
            30   27  32 1
            31   29  33 1
            32   29  34 2
            33   31  35 1
            34   33  36 1
            35   34  37 1
            36   35  38 1 #Up
            37   37  39 2
            38   14  15 1 #Up
            39   20  23 1
            40   21  26 1
            41   22  25 1
            42   32  35 1
            43   36  37 1
            44    7  10 1 #Down
            45    1  38 1 #Up


entry: C08851
name: --- - Bipindoside
formula: C29H44O10
kcf:
ATOM        39
            1   C1y C    23.9041  -22.7762
            2   C1y C    23.8997  -24.1497
            3   O2x O    22.7086  -22.0730
            4   C1y C    22.7042  -24.8356
            5   O1a O    25.0909  -24.8368
            6   C1y C    21.5100  -22.7639
            7   C1y C    21.5129  -24.1482
            8   O1a O    22.6969  -26.2140
            9   C1a C    20.3167  -22.0686
            10  O1a O    20.3173  -24.8343
            11  C1z C    32.2725  -19.3534
            12  C1y C    31.0778  -20.0351
            13  C1z C    32.2900  -17.9781
            14  C1x C    34.6501  -19.3824
            15  O1a O    32.2551  -20.7287
            16  C1y C    29.8948  -19.3358
            17  C1x C    31.0778  -21.4104
            18  C1y C    33.4904  -17.3078
            19  C1x C    31.1012  -17.2845
            20  C1a C    32.2784  -16.5968
            21  C1x C    34.6677  -18.0071
            22  C1z C    28.6945  -20.0234
            23  C1y C    29.9065  -17.9605
            24  C1x C    29.8832  -22.0980
            25  C2y C    33.4847  -15.9268
            26  C1z C    28.6885  -21.4046
            27  C1x C    27.5056  -19.3300
            28  C1a C    28.6769  -18.6424
            29  O1a O    28.7119  -17.2612
            30  C2x C    34.8600  -15.9908
            31  C1x C    33.0534  -14.6214
            32  C1x C    27.5056  -22.0923
            33  O1a O    28.6711  -22.7740
            34  C1x C    26.3052  -20.0234
            35  C7x C    35.2794  -14.6155
            36  O7x O    34.1723  -13.8114
            37  C1y C    26.3052  -21.4046
            38  O7x O    36.5907  -14.1842
            39  O2a O    25.1163  -22.0923
BOND        44
            1     6   9 1 #Down
            2     7  10 1 #Down
            3     6   7 1
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     2   5 1 #Down
            8     3   6 1
            9     4   7 1
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   16  22 1
            21   16  23 1
            22   17  24 1
            23   18  25 1
            24   22  26 1
            25   22  27 1
            26   22  28 1 #Up
            27   23  29 1 #Down
            28   25  30 2
            29   25  31 1
            30   26  32 1
            31   26  33 1 #Up
            32   27  34 1
            33   30  35 1
            34   31  36 1
            35   32  37 1
            36   35  38 2
            37   37  39 1 #Up
            38   18  21 1
            39   19  23 1
            40   24  26 1
            41   34  37 1
            42   35  36 1
            43    1  39 1 #Up
            44    4   8 1 #Down


entry: C08852
name: --- - Bryophyllin A
formula: C26H32O8
kcf:
ATOM        34
            1   C1z C    15.2739  -15.9640
            2   C1z C    15.2774  -15.1701
            3   O2x O    15.0170  -16.7162
            4   C1x C    14.5904  -16.3647
            5   C1x C    15.9608  -16.3681
            6   C1y C    15.9711  -14.7736
            7   C1y C    14.5904  -14.7701
            8   C4a C    15.2705  -14.3694
            9   C1z C    14.2918  -17.0787
            10  C1y C    13.8965  -15.9640
            11  C1x C    16.6581  -15.9709
            12  C1y C    16.6581  -15.1770
            13  C1y C    15.9746  -13.9797
            14  O2x O    14.2918  -15.4875
            15  C1x C    13.8965  -15.1701
            16  O4a O    14.5801  -13.9728
            17  O2x O    13.6431  -16.6362
            18  C1a C    14.2884  -17.8793
            19  C1z C    17.3408  -14.7805
            20  C1x C    16.6719  -13.5860
            21  O1a O    15.2843  -13.5791
            22  C1z C    17.3512  -13.9901
            23  C1x C    18.7181  -14.7977
            24  O1a O    17.3339  -15.5778
            25  C1y C    18.0416  -13.6032
            26  C1a C    17.3443  -13.1963
            27  C1x C    18.7250  -14.0073
            28  C8y C    18.0485  -12.7990
            29  C8x C    18.7422  -12.3990
            30  C8x C    17.3581  -12.4059
            31  C8x C    18.7388  -11.6017
            32  O7x O    17.3546  -11.6121
            33  C8y C    18.0416  -11.2080
            34  O7x O    18.0381  -10.4235
BOND        40
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1 #Up
            14    7  15 1
            15    8  16 2
            16    9  17 1
            17    9  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 1 #Down
            21   19  22 1
            22   19  23 1
            23   19  24 1 #Up
            24   22  25 1
            25   22  26 1 #Up
            26   23  27 1
            27   25  28 1
            28   28  29 1
            29   28  30 2
            30   29  31 2
            31   30  32 1
            32   31  33 1
            33   33  34 2
            34    9  14 1
            35   10  15 1
            36   10  17 1 #Up
            37   11  12 1
            38   20  22 1
            39   25  27 1
            40   32  33 1


entry: C08853
name: --- - Bryotoxin A
formula: C32H42O12
kcf:
ATOM        44
            1   C1y C     3.6385  -15.1482
            2   C1y C     3.6285  -15.9624
            3   O2x O     2.9377  -14.7277
            4   C1y C     2.9141  -16.3623
            5   O1a O     4.3293  -16.3829
            6   C1y C     2.2251  -15.1246
            7   C1x C     2.2146  -15.9466
            8   O7a O     2.9023  -17.1796
            9   C1a C     1.5256  -14.7088
            10  C7a C     2.1802  -17.5788
            11  C1a C     2.1714  -18.3977
            12  O7a O     1.4736  -17.1548
            13  C1z C     6.4766  -13.5174
            14  C1y C     7.1904  -13.1105
            15  C1z C     6.4732  -14.3346
            16  C1x C     5.7732  -13.1070
            17  C4a C     6.4697  -12.7001
            18  C1y C     7.8904  -13.5242
            19  C1y C     7.1973  -12.2967
            20  C1x C     7.1835  -14.7449
            21  C1x C     5.7732  -14.7415
            22  O1a O     6.4663  -15.1449
            23  C1x C     5.0663  -13.5174
            24  O4a O     5.7628  -12.2898
            25  C1z C     8.5939  -13.1208
            26  C1x C     7.8904  -14.3380
            27  C5x C     7.9042  -11.8967
            28  O1a O     6.4904  -11.8829
            29  C1y C     5.0663  -14.3346
            30  C1z C     8.6042  -12.3070
            31  C1x C    10.0042  -13.1380
            32  O1a O     8.5870  -13.9346
            33  O5x O     7.9111  -11.0794
            34  O2a O     4.3594  -14.7415
            35  C1y C     9.3180  -11.9105
            36  C1a C     8.6008  -11.4898
            37  C1x C    10.0145  -12.3242
            38  C8y C     9.3111  -11.0898
            39  C8x C    10.0180  -10.6794
            40  C8x C     8.6008  -10.6863
            41  C8x C    10.0111   -9.8622
            42  O7x O     8.5939   -9.8691
            43  C8y C     9.3042   -9.4622
            44  O7x O     9.2973   -8.6467
BOND        49
            1     8  10 1
            2    10  11 1
            3    10  12 2
            4     6   7 1
            5     1   2 1
            6     1   3 1
            7     2   4 1
            8     2   5 1 #Up
            9     3   6 1
            10    4   7 1
            11    4   8 1 #Down
            12   13  14 1
            13   13  15 1
            14   13  16 1
            15   13  17 1 #Up
            16   14  18 1
            17   14  19 1
            18   15  20 1
            19   15  21 1
            20   15  22 1 #Up
            21   16  23 1
            22   17  24 2
            23   18  25 1
            24   18  26 1
            25   19  27 1
            26   19  28 1 #Down
            27   21  29 1
            28   25  30 1
            29   25  31 1
            30   25  32 1 #Up
            31   27  33 2
            32   29  34 1 #Up
            33   30  35 1
            34   30  36 1 #Up
            35   31  37 1
            36   35  38 1
            37   38  39 1
            38   38  40 2
            39   39  41 2
            40   40  42 1
            41   41  43 1
            42   43  44 2
            43   20  26 1
            44   23  29 1
            45   27  30 1
            46   35  37 1
            47   42  43 1
            48    6   9 1 #Up
            49    1  34 1 #Up


entry: C08854
name: --- - Calactin
formula: C29H40O9
kcf:
ATOM        38
            1   C1z C     5.1924  -13.1069
            2   C1y C     5.8992  -12.7103
            3   C1y C     5.1786  -13.9207
            4   C1x C     4.4855  -12.6931
            5   C4a C     5.1820  -12.2897
            6   C1y C     6.5958  -13.1276
            7   C1x C     5.9165  -11.8966
            8   C1x C     4.4717  -14.3207
            9   C1x C     5.8786  -14.3379
            10  C1y C     3.7786  -13.0931
            11  O4a O     4.5992  -11.7103
            12  C1z C     7.3096  -12.7345
            13  C1x C     6.5855  -13.9414
            14  C1x C     6.6268  -11.5069
            15  C1y C     3.7717  -13.9069
            16  O2x O     3.0751  -12.6828
            17  C1z C     7.3234  -11.9241
            18  C1x C     8.7096  -12.7621
            19  O1a O     7.3027  -13.5448
            20  O2x O     3.0682  -14.3172
            21  C1z C     2.3648  -13.0897
            22  C1y C     8.0303  -11.5345
            23  C1a C     7.3165  -11.1034
            24  C1x C     8.7234  -11.9517
            25  C1y C     2.3613  -13.9034
            26  C1y C     1.6579  -12.6793
            27  O1a O     2.3579  -12.2724
            28  C2y C     8.0268  -10.7138
            29  O2x O     1.6579  -14.3138
            30  C1x C     0.9510  -13.0897
            31  O1a O     1.6510  -11.8621
            32  C2x C     8.8406  -10.7138
            33  C1x C     7.7717   -9.9414
            34  C1y C     0.9510  -13.9034
            35  C7x C     9.0889   -9.9414
            36  O7x O     8.4337   -9.4621
            37  C1a C     0.2441  -14.3138
            38  O7x O     9.8648   -9.6897
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 1
            16   12  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Up
            23   18  24 1
            24   20  25 1
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 1
            28   25  29 1
            29   26  30 1
            30   26  31 1 #Up
            31   28  32 2
            32   28  33 1
            33   29  34 1
            34   32  35 1
            35   33  36 1
            36   34  37 1 #Down
            37   35  38 2
            38    9  13 1
            39   10  15 1
            40   14  17 1
            41   21  25 1
            42   22  24 1
            43   30  34 1
            44   35  36 1


entry: C08855
name: --- - Calotropin
formula: C29H40O9
kcf:
ATOM        38
            1   C1z C     5.1924  -13.1069
            2   C1y C     5.8992  -12.7103
            3   C1y C     5.1786  -13.9207
            4   C1x C     4.4855  -12.6931
            5   C4a C     5.1820  -12.2897
            6   C1y C     6.5958  -13.1276
            7   C1x C     5.9165  -11.8966
            8   C1x C     4.4717  -14.3207
            9   C1x C     5.8786  -14.3379
            10  C1y C     3.7786  -13.0931
            11  O4a O     4.5992  -11.7103
            12  C1z C     7.3096  -12.7345
            13  C1x C     6.5855  -13.9414
            14  C1x C     6.6268  -11.5069
            15  C1y C     3.7717  -13.9069
            16  O2x O     3.0751  -12.6828
            17  C1z C     7.3234  -11.9241
            18  C1x C     8.7096  -12.7621
            19  O1a O     7.3027  -13.5448
            20  O2x O     3.0682  -14.3172
            21  C1z C     2.3648  -13.0897
            22  C1y C     8.0303  -11.5345
            23  C1a C     7.3165  -11.1034
            24  C1x C     8.7234  -11.9517
            25  C1y C     2.3613  -13.9034
            26  C1y C     1.6579  -12.6793
            27  O1a O     2.3579  -12.2724
            28  C2y C     8.0268  -10.7138
            29  O2x O     1.6579  -14.3138
            30  C1x C     0.9510  -13.0897
            31  O1a O     1.6510  -11.8621
            32  C2x C     8.8406  -10.7138
            33  C1x C     7.7717   -9.9414
            34  C1y C     0.9510  -13.9034
            35  C7x C     9.0889   -9.9414
            36  O7x O     8.4337   -9.4621
            37  C1a C     0.2441  -14.3138
            38  O7x O     9.8648   -9.6897
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 1
            16   12  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Up
            23   18  24 1
            24   20  25 1
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 1
            28   25  29 1
            29   26  30 1
            30   26  31 1 #Down
            31   28  32 2
            32   28  33 1
            33   29  34 1
            34   32  35 1
            35   33  36 1
            36   34  37 1 #Down
            37   35  38 2
            38    9  13 1
            39   10  15 1
            40   14  17 1
            41   21  25 1
            42   22  24 1
            43   30  34 1
            44   35  36 1


entry: C08856
name: --- - Thevetin B
formula: C42H66O18
kcf:
ATOM        60
            1   C1y C     7.0958  -15.2750
            2   O2x O     6.3833  -14.8625
            3   C1y C     5.6678  -15.2769
            4   C1y C     5.6689  -16.0996
            5   C1y C     6.3855  -16.5080
            6   C1y C     7.0969  -16.0977
            7   C1y C    12.1087  -13.8467
            8   O2a O    11.3371  -14.4570
            9   C1y C    12.8150  -14.2570
            10  C1y C    12.1087  -13.0267
            11  C1y C    10.6405  -14.8701
            12  C1y C    13.5177  -13.8467
            13  O2a O    12.8150  -15.0736
            14  O2x O    12.8150  -12.6240
            15  C1a C    11.4026  -12.6240
            16  O2x O     9.9378  -14.4605
            17  C1y C    10.6405  -15.6866
            18  C1y C    13.5177  -13.0267
            19  O1a O    14.2307  -14.2570
            20  C1y C     9.2281  -14.8701
            21  C1y C     9.9378  -16.0935
            22  O1a O    11.3509  -16.0935
            23  O2a O    14.2307  -12.6240
            24  C1y C     9.2281  -15.6866
            25  C1b C     8.5185  -14.4605
            26  O1a O     9.9378  -16.9100
            27  O1a O     8.5185  -16.0935
            28  O2a O     7.8124  -14.8701
            29  O1a O     6.3792  -17.3250
            30  C1b C     4.9542  -14.8625
            31  O1a O     7.8078  -16.5051
            32  O1a O     4.9591  -16.5089
            33  O1a O     4.2439  -15.2750
            34  C1a C    12.1047  -15.4819
            35  C1z C    18.4659  -11.0010
            36  C1y C    17.7564  -11.4038
            37  C1z C    18.4728  -10.1879
            38  C1x C    19.8680  -11.0148
            39  O1a O    18.4591  -11.8107
            40  C1y C    17.0570  -10.9906
            41  C1x C    17.7564  -12.2168
            42  C1y C    19.1824   -9.7914
            43  C1x C    17.7701   -9.7741
            44  C1a C    18.4694   -9.3714
            45  C1x C    19.8783  -10.2086
            46  C1z C    16.3501  -11.3969
            47  C1x C    17.0674  -10.1776
            48  C1x C    17.0536  -12.6237
            49  C2y C    19.1893   -8.9783
            50  C1y C    16.3509  -12.2134
            51  C1x C    15.6405  -10.9906
            52  C1a C    16.3474  -10.5768
            53  C1x C    18.9376   -8.2066
            54  C2x C    20.0059   -8.9749
            55  C1x C    15.6405  -12.6203
            56  C1x C    14.9378  -11.3969
            57  O7x O    19.5997   -7.7280
            58  C7x C    20.2508   -8.2066
            59  C1y C    14.9378  -12.2134
            60  O7x O    21.0293   -7.9556
BOND        67
            1     6  31 1 #Down
            2     4   5 1
            3     4  32 1 #Down
            4     5   6 1
            5    30  33 1
            6     6   1 1
            7    13  34 1
            8     7   8 1 #Up
            9     7   9 1
            10    7  10 1
            11   11   8 1 #Up
            12    9  12 1
            13    9  13 1 #Down
            14   10  14 1
            15   10  15 1 #Down
            16   11  16 1
            17   11  17 1
            18   12  18 1
            19   12  19 1 #Up
            20   16  20 1
            21   17  21 1
            22   17  22 1 #Down
            23   18  23 1 #Up
            24   20  24 1
            25   20  25 1 #Up
            26   21  26 1 #Up
            27   24  27 1 #Down
            28   25  28 1
            29   14  18 1
            30   21  24 1
            31    1  28 1 #Up
            32    1   2 1
            33    5  29 1 #Up
            34    2   3 1
            35    3  30 1 #Up
            36   35  36 1
            37   35  37 1
            38   35  38 1
            39   35  39 1 #Up
            40   36  40 1
            41   36  41 1
            42   37  42 1
            43   37  43 1
            44   37  44 1 #Up
            45   38  45 1
            46   40  46 1
            47   40  47 1
            48   41  48 1
            49   42  49 1
            50   46  50 1
            51   46  51 1
            52   46  52 1 #Up
            53   49  53 1
            54   49  54 2
            55   50  55 1
            56   51  56 1
            57   53  57 1
            58   54  58 1
            59   55  59 1
            60   58  60 2
            61   59  23 1 #Up
            62   42  45 1
            63   43  47 1
            64   48  50 1
            65   56  59 1
            66   57  58 1
            67    3   4 1


entry: C08857
name: --- - Cerbertin
formula: C32H44O11
kcf:
ATOM        43
            1   C1y C     2.6000  -13.4583
            2   C1y C     2.5909  -14.2726
            3   O2x O     1.8986  -13.0387
            4   C1y C     1.8759  -14.6685
            5   O7a O     3.2923  -14.6922
            6   C1y C     1.1865  -13.4364
            7   C1y C     1.1775  -14.2507
            8   O2a O     1.8662  -15.4906
            9   C7a C     3.2885  -15.4976
            10  C1a C     0.4852  -13.0168
            11  O1a O     0.4606  -14.6496
            12  C1a C     1.1559  -15.8853
            13  C1a C     3.9904  -15.9095
            14  O7a O     2.5805  -15.9019
            15  C1y C     6.1484  -11.4228
            16  C1y C     6.1553  -10.6091
            17  C1z C     5.4415  -11.8297
            18  C1y C     6.8484  -11.8366
            19  C1y C     6.8656  -10.2056
            20  O2x O     6.1587   -9.7918
            21  C1y C     5.4380  -12.6435
            22  C1x C     4.7380  -11.4194
            23  C4a C     5.4346  -11.0125
            24  C1z C     7.5587  -11.4332
            25  C1x C     6.8484  -12.6504
            26  C1z C     7.5691  -10.6194
            27  C1x C     6.1415  -13.0573
            28  C1x C     4.7380  -13.0539
            29  C1x C     4.0242  -11.8297
            30  O4a O     4.7242  -10.6022
            31  C1x C     8.9622  -11.4504
            32  O1a O     7.5484  -12.2435
            33  C1y C     8.2760  -10.2228
            34  C1a C     7.5622   -9.8022
            35  C1y C     4.0242  -12.6435
            36  C1x C     8.9725  -10.6366
            37  C2y C     8.2863   -9.4091
            38  O2a O     3.3173  -13.0539
            39  C1x C     8.0346   -8.6366
            40  C2x C     9.0967   -9.4056
            41  O7x O     8.6898   -8.1642
            42  C7x C     9.3449   -8.6332
            43  O7x O    10.1242   -8.3815
BOND        49
            1     2   5 1 #Up
            2     3   6 1
            3     4   7 1
            4     4   8 1 #Down
            5     5   9 1
            6     6  10 1 #Down
            7     7  11 1 #Up
            8     8  12 1
            9     9  13 1
            10    9  14 2
            11    6   7 1
            12    1   2 1
            13   15  16 1
            14   15  17 1
            15   15  18 1
            16   16  19 1
            17   16  20 1
            18   17  21 1
            19   17  22 1
            20   17  23 1 #Up
            21   18  24 1
            22   18  25 1
            23   19  26 1
            24   21  27 1
            25   21  28 1
            26   22  29 1
            27   23  30 2
            28   24  31 1
            29   24  32 1 #Up
            30   26  33 1
            31   26  34 1 #Up
            32   28  35 1
            33   31  36 1
            34   33  37 1
            35   35  38 1 #Up
            36   37  39 1
            37   37  40 2
            38   39  41 1
            39   40  42 1
            40   42  43 2
            41   19  20 1
            42   24  26 1
            43   25  27 1
            44   29  35 1
            45   33  36 1
            46   41  42 1
            47    1   3 1
            48    1  38 1 #Up
            49    2   4 1


entry: C08858
name: --- - Convallatoxin - Strophanthidin 3-O-alpha-L-rhamnoside
formula: C29H42O10
kcf:
ATOM        39
            1   C1y C     2.2875  -14.3625
            2   C1y C     2.2743  -15.1803
            3   O2x O     1.5841  -13.9463
            4   C1y C     1.5672  -15.5793
            5   O1a O     2.9808  -15.5982
            6   C1y C     0.8740  -14.3434
            7   C1y C     0.8620  -15.1659
            8   O1a O     1.5540  -16.3970
            9   C1a C     0.1735  -13.9289
            10  O1a O     0.1518  -15.5632
            11  C1z C     5.2064  -12.9286
            12  C1y C     5.9201  -12.5217
            13  C1z C     5.2029  -13.7458
            14  C1x C     4.5029  -12.5182
            15  C4a C     5.1995  -12.1113
            16  C1y C     6.6201  -12.9355
            17  C1x C     5.9270  -11.7079
            18  C1x C     4.5029  -14.1527
            19  C1x C     5.9133  -14.1561
            20  O1a O     5.1960  -14.5561
            21  C1x C     3.7960  -12.9286
            22  O4a O     4.4926  -11.7044
            23  C1z C     7.3236  -12.5320
            24  C1x C     6.6201  -13.7493
            25  C1x C     6.6339  -11.3079
            26  C1y C     3.7960  -13.7458
            27  C1z C     7.3339  -11.7217
            28  C1x C     8.7339  -12.5492
            29  O1a O     7.3167  -13.3458
            30  O2a O     3.0891  -14.1527
            31  C1y C     8.0443  -11.3217
            32  C1a C     7.3305  -10.9044
            33  C1x C     8.7443  -11.7389
            34  C2y C     8.0443  -10.5044
            35  C2x C     8.8546  -10.5044
            36  C1x C     7.7891   -9.7320
            37  C7x C     9.1064   -9.7286
            38  O7x O     8.4477   -9.2527
            39  O7x O     9.8822   -9.4734
BOND        44
            1     6   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     2   5 1 #Down
            6     3   6 1
            7     4   7 1
            8     4   8 1 #Down
            9     6   9 1 #Down
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   15  22 2
            21   16  23 1
            22   16  24 1
            23   17  25 1
            24   18  26 1
            25   23  27 1
            26   23  28 1
            27   23  29 1 #Up
            28   26  30 1 #Up
            29   27  31 1
            30   27  32 1 #Up
            31   28  33 1
            32   31  34 1
            33   34  35 2
            34   34  36 1
            35   35  37 1
            36   36  38 1
            37   37  39 2
            38   19  24 1
            39   21  26 1
            40   25  27 1
            41   31  33 1
            42   37  38 1
            43    1  30 1 #Up
            44    7  10 1 #Up


entry: C08859
name: --- - Cymarin - Strophanthidin 3-O-beta-D-cymaroside
formula: C30H44O9
kcf:
ATOM        39
            1   C1y C     2.7125  -14.7583
            2   C1x C     2.7064  -15.5736
            3   O2x O     2.0086  -14.3431
            4   C1y C     1.9977  -15.9782
            5   C1y C     1.2969  -14.7461
            6   C1y C     1.2937  -15.5630
            7   O2a O     1.9870  -16.7947
            8   C1a C     0.5959  -14.3326
            9   O1a O     0.5821  -15.9659
            10  C1a C     1.2705  -17.1989
            11  C1z C     5.5490  -13.1263
            12  C1y C     6.2628  -12.7194
            13  C1z C     5.5456  -13.9435
            14  C1x C     4.8456  -12.7159
            15  C4a C     5.5421  -12.3091
            16  C1y C     6.9628  -13.1332
            17  C1x C     6.2697  -11.9056
            18  C1x C     4.8456  -14.3504
            19  C1x C     6.2559  -14.3539
            20  O1a O     5.5387  -14.7539
            21  C1x C     4.1387  -13.1263
            22  O4a O     4.8352  -11.9022
            23  C1z C     7.6663  -12.7297
            24  C1x C     6.9628  -13.9470
            25  C1x C     6.9766  -11.5056
            26  C1y C     4.1387  -13.9435
            27  C1z C     7.6766  -11.9159
            28  C1x C     9.0766  -12.7470
            29  O1a O     7.6594  -13.5435
            30  O2a O     3.4318  -14.3504
            31  C1y C     8.3870  -11.5194
            32  C1a C     7.6697  -11.1022
            33  C1x C     9.0835  -11.9366
            34  C2y C     8.3835  -10.7022
            35  C1x C     8.1318   -9.9297
            36  C2x C     9.1973  -10.6987
            37  O7x O     8.7904   -9.4504
            38  C7x C     9.4456   -9.9263
            39  O7x O    10.2214   -9.6711
BOND        44
            1     5   6 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     4   6 1
            7     4   7 1 #Down
            8     5   8 1 #Up
            9     6   9 1 #Down
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   15  22 2
            21   16  23 1
            22   16  24 1
            23   17  25 1
            24   18  26 1
            25   23  27 1
            26   23  28 1
            27   23  29 1 #Up
            28   26  30 1 #Up
            29   27  31 1
            30   27  32 1 #Up
            31   28  33 1
            32   31  34 1
            33   34  35 1
            34   34  36 2
            35   35  37 1
            36   36  38 1
            37   38  39 2
            38   19  24 1
            39   21  26 1
            40   25  27 1
            41   31  33 1
            42   37  38 1
            43    7  10 1
            44    1  30 1 #Up


entry: C08860
name: --- - Decoside - Decogenin 3-O-alpha-L-oleandroside
formula: C30H42O9
kcf:
ATOM        39
            1   C1y C     2.6211  -14.5483
            2   C1x C     2.6015  -15.3684
            3   O2x O     1.9234  -14.1227
            4   C1y C     1.8848  -15.7552
            5   C1y C     1.2050  -14.5124
            6   C1y C     1.1883  -15.3343
            7   O2a O     1.8640  -16.5706
            8   C1a C     0.5103  -14.0886
            9   O1a O     0.4716  -15.7211
            10  C1a C     1.1390  -16.9645
            11  C1z C     7.6680  -11.9089
            12  C1z C     7.6576  -12.7193
            13  C1y C     8.3818  -11.5089
            14  C5x C     6.9680  -11.4951
            15  C1a C     7.6645  -11.0917
            16  C1y C     6.9542  -13.1227
            17  C1x C     9.0680  -12.7365
            18  O1a O     7.6508  -13.5331
            19  C2y C     8.3887  -10.6951
            20  C1x C     9.0783  -11.9262
            21  C2y C     6.2611  -11.8951
            22  O5x O     6.9749  -10.6779
            23  C2y C     6.2542  -12.7089
            24  C1x C     6.9542  -13.9400
            25  C1x C     8.1370   -9.9227
            26  C2x C     9.2025  -10.6951
            27  O1a O     5.5542  -11.4814
            28  C1z C     5.5404  -13.1158
            29  C1x C     6.2473  -14.3434
            30  O7x O     8.7956   -9.4434
            31  C7x C     9.4508   -9.9227
            32  C1y C     5.5370  -13.9331
            33  C1x C     4.8370  -12.7089
            34  C1a C     5.5335  -12.2986
            35  O7x O    10.2266   -9.6676
            36  C1x C     4.8370  -14.3400
            37  C1x C     4.1301  -13.1158
            38  C1y C     4.1301  -13.9331
            39  O2a O     3.4232  -14.3400
BOND        44
            1     5   6 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     4   6 1
            7     4   7 1 #Down
            8     5   8 1 #Down
            9     6   9 1 #Up
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   12  18 1 #Up
            17   13  19 1
            18   13  20 1
            19   14  21 1
            20   14  22 2
            21   16  23 1
            22   16  24 1
            23   19  25 1
            24   19  26 2
            25   21  27 1
            26   23  28 1
            27   24  29 1
            28   25  30 1
            29   26  31 1
            30   28  32 1
            31   28  33 1
            32   28  34 1 #Up
            33   31  35 2
            34   32  36 1
            35   33  37 1
            36   36  38 1
            37   38  39 1 #Up
            38   17  20 1
            39   21  23 2
            40   29  32 1
            41   30  31 1
            42   37  38 1
            43    1  39 1 #Up
            44    7  10 1


entry: C08861
name: --- - Diginatin - Diginatigenin 3-O-tridigitoxoside
formula: C41H64O15
kcf:
ATOM        56
            1   C1z C    21.4254  -14.6137
            2   C1z C    21.4323  -13.7954
            3   C1y C    20.7141  -15.0247
            4   C1x C    22.8363  -14.6317
            5   O1a O    21.4143  -15.4279
            6   C1y C    22.1471  -13.3989
            7   C1y C    20.7320  -13.3844
            8   C1a C    21.4289  -12.9811
            9   C1y C    20.0138  -14.6027
            10  C1x C    20.7141  -15.8354
            11  C1y C    22.8509  -13.8133
            12  C2y C    22.1540  -12.5805
            13  C1x C    20.0138  -13.7885
            14  O1a O    20.7251  -12.5591
            15  C1z C    19.2997  -15.0101
            16  C1x C    20.0069  -16.2463
            17  O1a O    23.5615  -13.4169
            18  C1x C    21.9040  -11.8057
            19  C2x C    22.9724  -12.5805
            20  C1y C    19.2962  -15.8320
            21  C1x C    18.5960  -14.5992
            22  C1a C    19.2887  -14.1883
            23  O7x O    22.5615  -11.3229
            24  C7x C    23.2259  -11.8057
            25  C1x C    18.5960  -16.2429
            26  C1x C    17.8811  -15.0101
            27  O7x O    24.0049  -11.5515
            28  C1y C    17.8811  -15.8320
            29  O2a O    17.1664  -16.2429
            30  C1y C    16.4557  -15.8320
            31  C1x C    15.7520  -16.2463
            32  O2x O    16.4523  -15.0101
            33  C1y C    15.0372  -15.8389
            34  C1y C    15.7409  -14.6027
            35  C1y C    15.0337  -15.0247
            36  O1a O    14.3266  -16.2498
            37  C1a C    15.7375  -13.7850
            38  O2a O    14.3155  -14.6027
            39  C1y C    13.6083  -15.0101
            40  C1x C    12.8935  -14.5992
            41  O2x O    13.6083  -15.8320
            42  C1y C    12.1753  -15.0136
            43  C1y C    12.8970  -16.2463
            44  C1y C    12.1753  -15.8354
            45  O1a O    11.4715  -14.6027
            46  C1a C    12.8970  -17.0648
            47  O2a O    11.4681  -16.2394
            48  C1y C    10.7609  -15.8285
            49  O2x O    10.7533  -15.0067
            50  C1x C    10.0496  -16.2429
            51  C1y C    10.0427  -14.5992
            52  C1y C     9.3444  -15.8354
            53  C1y C     9.3395  -15.0136
            54  C1a C    10.0392  -13.7774
            55  O1a O     8.6398  -16.2463
            56  O1a O     8.6210  -14.6102
BOND        63
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Up
            14    9  15 1
            15   10  16 1
            16   11  17 1 #Up
            17   12  18 1
            18   12  19 2
            19   15  20 1
            20   15  21 1
            21   15  22 1 #Up
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1 #Up
            29   30  29 1 #Up
            30   30  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 1
            35   33  36 1 #Down
            36   34  37 1 #Up
            37   35  38 1 #Down
            38   39  38 1 #Down
            39   39  40 1
            40   39  41 1
            41   40  42 1
            42   41  43 1
            43   42  44 1
            44   42  45 1 #Up
            45   43  46 1 #Down
            46   44  47 1 #Up
            47   48  47 1 #Up
            48   48  49 1
            49   48  50 1
            50   49  51 1
            51   50  52 1
            52   51  53 1
            53   51  54 1 #Up
            54   52  55 1 #Down
            55   53  56 1 #Down
            56    6  11 1
            57    9  13 1
            58   16  20 1
            59   23  24 1
            60   26  28 1
            61   34  35 1
            62   43  44 1
            63   52  53 1


entry: C08862
name: --- - Digitalin - Gitoxigenin 3-O-glucosyldigitaloside
formula: C36H56O14
kcf:
ATOM        50
            1   C1y C     1.4561  -14.5612
            2   O2x O     0.7536  -14.1435
            3   C1y C     1.4435  -15.3814
            4   C1y C     0.0367  -14.5430
            5   C1y C     0.7266  -15.7809
            6   O1a O     2.1541  -15.8064
            7   C1y C     0.0240  -15.3632
            8   C1b C    -0.6645  -14.1206
            9   O1a O     0.7183  -16.5948
            10  O1a O    -0.6868  -15.7594
            11  C1y C     4.3044  -12.9198
            12  C1y C     4.3054  -13.7372
            13  O2x O     3.5924  -12.5116
            14  C1y C     3.6002  -14.1498
            15  O1a O     5.0113  -14.1420
            16  C1y C     2.8874  -12.9242
            17  C1y C     2.8883  -13.7415
            18  O2a O     3.6012  -14.9672
            19  C1a C     2.1754  -12.5160
            20  O2a O     2.1755  -14.1537
            21  C1z C     9.2736  -10.8903
            22  C1z C     9.2874  -10.0765
            23  C1y C     8.5667  -11.2937
            24  C1x C    10.6805  -10.9075
            25  O1a O     9.2633  -11.7041
            26  C1y C     9.9943   -9.6765
            27  C1x C     8.5839   -9.6593
            28  C1a C     9.2770   -9.2558
            29  C1y C     7.8598  -10.8834
            30  C1x C     8.5667  -12.1110
            31  C1y C    10.6908  -10.0937
            32  C2y C    10.0046   -8.8593
            33  C1x C     7.8736  -10.0662
            34  C1z C     7.1529  -11.2868
            35  C1x C     7.8529  -12.5179
            36  O1a O    11.4115   -9.6937
            37  C1x C     9.7495   -8.0868
            38  C2x C    10.8184   -8.8558
            39  C1y C     7.1495  -12.1075
            40  C1x C     6.4460  -10.8800
            41  C1a C     7.1460  -10.4696
            42  O7x O    10.4115   -7.6075
            43  C7x C    11.0736   -8.0868
            44  C1x C     6.4460  -12.5110
            45  C1x C     5.7357  -11.2868
            46  O7x O    11.8495   -7.8351
            47  C1y C     5.7357  -12.1075
            48  O2a O     5.0253  -12.5110
            49  O1a O    -1.3866  -14.5197
            50  C1a C     2.8872  -15.3805
BOND        56
            1    12  14 1
            2    12  15 1 #Down
            3    13  16 1
            4    14  17 1
            5    14  18 1 #Up
            6    16  19 1 #Up
            7    17  20 1 #Up
            8    16  17 1
            9     5   7 1
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    3   5 1
            14    3   6 1 #Down
            15    4   7 1
            16    4   8 1 #Up
            17    5   9 1 #Up
            18   21  22 1
            19   21  23 1
            20   21  24 1
            21   21  25 1 #Up
            22   22  26 1
            23   22  27 1
            24   22  28 1 #Up
            25   23  29 1
            26   23  30 1
            27   24  31 1
            28   26  32 1
            29   27  33 1
            30   29  34 1
            31   30  35 1
            32   31  36 1 #Up
            33   32  37 1
            34   32  38 2
            35   34  39 1
            36   34  40 1
            37   34  41 1 #Up
            38   37  42 1
            39   38  43 1
            40   39  44 1
            41   40  45 1
            42   43  46 2
            43   44  47 1
            44   47  48 1 #Up
            45   26  31 1
            46   29  33 1
            47   35  39 1
            48   42  43 1
            49   45  47 1
            50    7  10 1 #Down
            51   11  48 1 #Up
            52    1  20 1 #Up
            53   11  12 1
            54   11  13 1
            55    8  49 1
            56   18  50 1


entry: C08863
name: --- - Divaricoside - Sarmentogenin 3-O-alpha-L-oleandroside
formula: C30H46O8
kcf:
ATOM        38
            1   C1y C     2.7083  -14.7500
            2   C1x C     2.7019  -15.5713
            3   O2x O     1.9999  -14.3410
            4   C1y C     1.9946  -15.9762
            5   C1y C     1.2916  -14.7492
            6   C1y C     1.2880  -15.5642
            7   O2a O     1.9921  -16.7909
            8   C1a C     0.5849  -14.3372
            9   O1a O     0.5818  -15.9688
            10  C1a C     1.2789  -17.1922
            11  C1z C     7.6671  -12.7217
            12  C1y C     6.9595  -13.1251
            13  C1z C     7.6775  -11.9107
            14  C1x C     9.0754  -12.7389
            15  O1a O     7.6568  -13.5362
            16  C1y C     6.2587  -12.7113
            17  C1x C     6.9595  -13.9397
            18  C1y C     8.3850  -11.5134
            19  C1x C     6.9698  -11.4961
            20  C1a C     7.6706  -11.0927
            21  C1x C     9.0858  -11.9279
            22  C1z C     5.5484  -13.1182
            23  C1y C     6.2622  -11.8969
            24  C1x C     6.2484  -14.3473
            25  C2y C     8.3816  -10.6919
            26  C1y C     5.5449  -13.9362
            27  C1x C     4.8443  -12.7113
            28  C1a C     5.5415  -12.3003
            29  O1a O     5.5622  -11.4858
            30  C2x C     9.1927  -10.6919
            31  C1x C     8.1299   -9.9154
            32  C1x C     4.8443  -14.3439
            33  C1x C     4.1332  -13.1182
            34  C7x C     9.4409   -9.9154
            35  O7x O     8.7892   -9.4430
            36  C1y C     4.1332  -13.9362
            37  O7x O    10.2176   -9.6637
            38  O2a O     3.4290  -14.3439
BOND        43
            1     5   6 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     4   6 1
            7     4   7 1 #Down
            8     5   8 1 #Down
            9     6   9 1 #Up
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   16  22 1
            21   16  23 1
            22   17  24 1
            23   18  25 1
            24   22  26 1
            25   22  27 1
            26   22  28 1 #Up
            27   23  29 1 #Down
            28   25  30 2
            29   25  31 1
            30   26  32 1
            31   27  33 1
            32   30  34 1
            33   31  35 1
            34   32  36 1
            35   34  37 2
            36   36  38 1 #Up
            37   18  21 1
            38   19  23 1
            39   24  26 1
            40   33  36 1
            41   34  35 1
            42    7  10 1
            43    1  38 1 #Up


entry: C08864
name: --- - Divostroside - Sarmentogenin 3-O-alpha-L-diginoside
formula: C30H46O8
kcf:
ATOM        38
            1   C1y C     2.7042  -14.7500
            2   C1x C     2.6803  -15.5698
            3   O2x O     2.0117  -14.3210
            4   C1y C     1.9596  -15.9535
            5   C1y C     1.2879  -14.7110
            6   C1y C     1.2653  -15.5274
            7   O2a O     1.9361  -16.7726
            8   C1a C     0.5955  -14.2820
            9   O1a O     0.5455  -15.9110
            10  C1a C     1.2123  -17.1546
            11  C1z C     7.6595  -12.7217
            12  C1y C     6.9518  -13.1251
            13  C1z C     7.6698  -11.9107
            14  C1x C     9.0678  -12.7389
            15  O1a O     7.6526  -13.5328
            16  C1y C     6.2512  -12.7113
            17  C1x C     6.9518  -13.9397
            18  C1y C     8.3775  -11.5134
            19  C1x C     6.9656  -11.4961
            20  C1a C     7.6629  -11.0927
            21  C1x C     9.0781  -11.9279
            22  C1z C     5.5408  -13.1182
            23  C1y C     6.2581  -11.8969
            24  C1x C     6.2443  -14.3439
            25  C2y C     8.3844  -10.6954
            26  C1y C     5.5374  -13.9328
            27  C1x C     4.8366  -12.7079
            28  C1a C     5.5339  -12.3003
            29  O1a O     5.5546  -11.4823
            30  C2x C     9.1988  -10.6954
            31  C1x C     8.1361   -9.9189
            32  C1x C     4.8366  -14.3439
            33  C1x C     4.1255  -13.1182
            34  C7x C     9.4471   -9.9189
            35  O7x O     8.7954   -9.4464
            36  C1y C     4.1255  -13.9328
            37  O7x O    10.2237   -9.6671
            38  O2a O     3.4214  -14.3439
BOND        43
            1     5   6 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     4   6 1
            7     4   7 1 #Down
            8     5   8 1 #Down
            9     6   9 1 #Down
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   16  22 1
            21   16  23 1
            22   17  24 1
            23   18  25 1
            24   22  26 1
            25   22  27 1
            26   22  28 1 #Up
            27   23  29 1 #Down
            28   25  30 2
            29   25  31 1
            30   26  32 1
            31   27  33 1
            32   30  34 1
            33   31  35 1
            34   32  36 1
            35   34  37 2
            36   36  38 1 #Up
            37   18  21 1
            38   19  23 1
            39   24  26 1
            40   33  36 1
            41   34  35 1
            42    1  38 1 #Up
            43    7  10 1


entry: C08865
name: --- - Eriocarpin
formula: C29H38O11
kcf:
ATOM        40
            1   C1z C     6.5862  -13.1211
            2   C1y C     5.8862  -12.7039
            3   C1z C     7.2931  -12.7280
            4   C1y C     6.5759  -13.9349
            5   O2x O     7.2862  -13.5280
            6   C1z C     5.1759  -13.1004
            7   C1y C     5.9000  -11.8901
            8   C1z C     7.3103  -11.9177
            9   C1x C     8.6966  -12.7522
            10  O1a O     7.8724  -13.3004
            11  C1x C     5.8621  -14.3315
            12  C1y C     5.1655  -13.9142
            13  C1x C     4.4759  -12.6866
            14  C1a C     5.1690  -12.2797
            15  C5x C     6.6138  -11.4970
            16  O1a O     5.2034  -11.4694
            17  C1y C     8.0172  -11.5246
            18  C1a C     7.3035  -11.0970
            19  C1x C     8.7138  -11.9453
            20  C1x C     4.4621  -14.3142
            21  C1y C     3.7690  -13.0866
            22  O5x O     6.6310  -10.6832
            23  C2y C     8.0345  -10.7108
            24  C1y C     3.7621  -13.9004
            25  O2x O     3.0586  -12.6763
            26  C2x C     8.8448  -10.7108
            27  C1x C     7.7828   -9.9384
            28  O2x O     3.0517  -14.3073
            29  C1z C     2.3517  -13.0797
            30  C7x C     9.1000   -9.9384
            31  O7x O     8.4379   -9.4590
            32  C1y C     2.3483  -13.8970
            33  C1y C     1.6483  -12.6728
            34  O1a O     2.3448  -12.2659
            35  O7x O     9.8759   -9.6866
            36  O2x O     1.6483  -14.3073
            37  C1x C     0.9345  -13.0797
            38  O1a O     1.6414  -11.8556
            39  C1y C     0.9345  -13.8970
            40  C1a C     0.2310  -14.3073
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    7  16 1 #Down
            16    8  17 1
            17    8  18 1 #Up
            18    9  19 1
            19   12  20 1
            20   13  21 1
            21   15  22 2
            22   17  23 1
            23   20  24 1
            24   21  25 1
            25   23  26 2
            26   23  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   29  33 1
            33   29  34 1 #Up
            34   30  35 2
            35   32  36 1
            36   33  37 1
            37   33  38 1 #Up
            38   36  39 1
            39   39  40 1 #Down
            40    4   5 1 #Up
            41    8  15 1
            42   11  12 1
            43   17  19 1
            44   21  24 1
            45   29  32 1
            46   30  31 1
            47   37  39 1


entry: C08866
name: --- - Gitoxin - Gitoxigenin 3-O-tridigitoxoside
formula: C41H64O14
kcf:
ATOM        55
            1   C1z C    19.9299  -15.6292
            2   C1y C    19.2185  -16.0324
            3   C1z C    19.9367  -14.8142
            4   C1x C    21.3407  -15.6471
            5   O1a O    19.9188  -16.4434
            6   C1y C    18.5148  -15.6181
            7   C1x C    19.2185  -16.8543
            8   C1y C    20.6515  -14.4143
            9   C1x C    19.2330  -14.3999
            10  C1a C    19.9333  -13.9966
            11  C1y C    21.3553  -14.8322
            12  C1z C    17.8041  -16.0290
            13  C1x C    18.5148  -14.8039
            14  C1x C    18.5037  -17.2617
            15  C2y C    20.6584  -13.5960
            16  O1a O    22.0625  -14.4323
            17  C1y C    17.8041  -16.8474
            18  C1x C    17.0928  -15.6181
            19  C1a C    17.7931  -15.2072
            20  C2x C    21.4768  -13.5960
            21  C1x C    20.4084  -12.8211
            22  C1x C    17.0928  -17.2583
            23  C1x C    16.3780  -16.0290
            24  C7x C    21.7303  -12.8211
            25  O7x O    21.0694  -12.3349
            26  C1y C    16.3780  -16.8474
            27  O7x O    22.5093  -12.5635
            28  O2a O    15.6674  -17.2583
            29  C1y C    14.9526  -16.8474
            30  C1x C    14.2454  -17.2617
            31  O2x O    14.9491  -16.0290
            32  C1y C    13.5382  -16.8543
            33  C1y C    14.2419  -15.6181
            34  C1y C    13.5306  -16.0324
            35  O1a O    12.8199  -17.2686
            36  C1a C    14.2385  -14.8039
            37  O2a O    12.8165  -15.6292
            38  C1y C    12.1052  -16.0290
            39  C1x C    11.3945  -15.6292
            40  O2x O    12.1052  -16.8543
            41  C1y C    10.6763  -16.0324
            42  C1y C    11.3945  -17.2652
            43  C1y C    10.6763  -16.8543
            44  O1a O     9.9691  -15.6292
            45  C1a C    11.3945  -18.0871
            46  O2a O     9.9691  -17.2652
            47  C1y C     9.2543  -16.8543
            48  O2x O     9.2509  -16.0324
            49  C1x C     8.5505  -17.2686
            50  C1y C     8.5394  -15.6292
            51  C1y C     7.8358  -16.8689
            52  C1y C     7.8289  -16.0435
            53  C1a C     8.5394  -14.8108
            54  O1a O     7.1332  -17.2797
            55  O1a O     7.1332  -15.6361
BOND        62
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   11  16 1 #Up
            16   12  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   15  20 2
            20   15  21 1
            21   17  22 1
            22   18  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26   24  27 2
            27   26  28 1 #Up
            28   29  28 1 #Up
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   32  35 1 #Down
            35   33  36 1 #Up
            36   34  37 1 #Down
            37   38  37 1 #Down
            38   38  39 1
            39   38  40 1
            40   39  41 1
            41   40  42 1
            42   41  43 1
            43   41  44 1 #Up
            44   42  45 1 #Down
            45   43  46 1 #Up
            46   47  46 1 #Up
            47   47  48 1
            48   47  49 1
            49   48  50 1
            50   49  51 1
            51   50  52 1
            52   50  53 1 #Up
            53   51  54 1 #Down
            54   52  55 1 #Down
            55    8  11 1
            56    9  13 1
            57   14  17 1
            58   23  26 1
            59   24  25 1
            60   33  34 1
            61   42  43 1
            62   51  52 1


entry: C08867
name: --- - Hellebrigenin 3-acetate
formula: C26H34O7
kcf:
ATOM        33
            1   C1z C     5.0531  -13.7125
            2   C1y C     5.7635  -13.3125
            3   C1z C     5.0497  -14.5263
            4   C1x C     4.3566  -13.3091
            5   C4a C     5.0462  -12.8987
            6   C1y C     6.4600  -13.7194
            7   C1x C     5.7704  -12.5022
            8   C1x C     5.7566  -14.9366
            9   C1x C     4.3566  -14.9332
            10  O1a O     5.0428  -15.3332
            11  C1x C     3.6462  -13.7125
            12  O4a O     4.3428  -12.4953
            13  C1z C     7.1600  -13.3194
            14  C1x C     6.4600  -14.5332
            15  C1x C     6.4738  -12.0987
            16  C1y C     3.6462  -14.5263
            17  C1z C     7.1704  -12.5125
            18  C1x C     8.5600  -13.3366
            19  O1a O     7.1566  -14.1297
            20  O7a O     2.9462  -14.9332
            21  C1y C     7.8773  -12.1159
            22  C1a C     7.1635  -11.6987
            23  C1x C     8.5704  -12.5297
            24  C7a C     2.2393  -14.5297
            25  C8y C     7.8842  -11.2987
            26  C1a C     1.5393  -14.9366
            27  O7a O     2.2359  -13.7159
            28  C8x C     8.5842  -10.8918
            29  C8x C     7.1773  -10.8987
            30  C8x C     8.5807  -10.0780
            31  O7x O     7.1704  -10.0884
            32  C8y C     7.8738   -9.6746
            33  O7x O     7.8704   -8.8691
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    9  16 1
            16   13  17 1
            17   13  18 1
            18   13  19 1 #Up
            19   16  20 1 #Up
            20   17  21 1
            21   17  22 1 #Up
            22   18  23 1
            23   20  24 1
            24   21  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   25  29 2
            29   28  30 2
            30   29  31 1
            31   30  32 1
            32   32  33 2
            33    8  14 1
            34   11  16 1
            35   15  17 1
            36   21  23 1
            37   31  32 1


entry: C08868
name: --- - Hellebrin - Hellebrigenin 3-O-glucosylrhamnoside
formula: C36H52O15
kcf:
ATOM        51
            1   C1y C     1.8708  -15.1458
            2   O2x O     1.1748  -14.7187
            3   C1y C     1.8558  -15.9618
            4   C1y C     0.4578  -15.1111
            5   C1y C     1.1358  -16.3558
            6   O1a O     2.5612  -16.3914
            7   C1y C     0.4368  -15.9305
            8   C1b C    -0.2382  -14.6840
            9   O1a O     1.1179  -17.1735
            10  O1a O    -0.2741  -16.3194
            11  C1y C     4.7208  -13.5333
            12  C1y C     4.7165  -14.3494
            13  O2x O     4.0197  -13.1201
            14  C1y C     4.0053  -14.7488
            15  O1a O     5.4205  -14.7645
            16  C1y C     3.3085  -13.5194
            17  C1y C     3.3025  -14.3384
            18  O1a O     3.9992  -15.5678
            19  C1a C     2.6027  -13.1072
            20  O2a O     2.5913  -14.7377
            21  C1z C     7.5648  -11.9009
            22  C1y C     8.2717  -11.4940
            23  C1z C     7.5613  -12.7147
            24  C1x C     6.8544  -11.4905
            25  C4a C     7.5544  -11.0836
            26  C1y C     8.9717  -11.9078
            27  C1x C     8.2786  -10.6802
            28  C1x C     6.8544  -13.1250
            29  C1x C     8.2648  -13.1284
            30  O1a O     7.5510  -13.5284
            31  C1x C     6.1475  -11.9009
            32  O4a O     6.8441  -10.6733
            33  C1z C     9.6751  -11.5043
            34  C1x C     8.9717  -12.7216
            35  C1x C     8.9855  -10.2767
            36  C1y C     6.1475  -12.7147
            37  C1z C     9.6855  -10.6905
            38  C1x C    11.0855  -11.5216
            39  O1a O     9.6682  -12.3147
            40  O2a O     5.4406  -13.1250
            41  C1y C    10.3992  -10.2940
            42  C1a C     9.6820   -9.8733
            43  C1x C    11.0958  -10.7078
            44  C8y C    10.4061   -9.4733
            45  C8x C    11.1096   -9.0629
            46  C8x C     9.6924   -9.0698
            47  C8x C    11.1061   -8.2457
            48  O7x O     9.6889   -8.2526
            49  C8y C    10.3958   -7.8388
            50  O7x O    10.3924   -7.0284
            51  O1a O    -0.9634  -15.0772
BOND        57
            1    12  14 1
            2    12  15 1 #Down
            3    13  16 1
            4    14  17 1
            5    14  18 1 #Down
            6    16  19 1 #Down
            7    17  20 1 #Up
            8    16  17 1
            9     5   7 1
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    3   5 1
            14    3   6 1 #Down
            15    4   7 1
            16    4   8 1 #Up
            17    5   9 1 #Up
            18    7  10 1 #Down
            19   21  22 1
            20   21  23 1
            21   21  24 1
            22   21  25 1 #Up
            23   22  26 1
            24   22  27 1
            25   23  28 1
            26   23  29 1
            27   23  30 1 #Up
            28   24  31 1
            29   25  32 2
            30   26  33 1
            31   26  34 1
            32   27  35 1
            33   28  36 1
            34   33  37 1
            35   33  38 1
            36   33  39 1 #Up
            37   36  40 1 #Up
            38   37  41 1
            39   37  42 1 #Up
            40   38  43 1
            41   41  44 1
            42   44  45 1
            43   44  46 2
            44   45  47 2
            45   46  48 1
            46   47  49 1
            47   49  50 2
            48   29  34 1
            49   31  36 1
            50   35  37 1
            51   41  43 1
            52   48  49 1
            53   11  12 1
            54   11  40 1 #Up
            55    1  20 1 #Up
            56   11  13 1
            57    8  51 1


entry: C08869
name: --- - Helveticoside - Strophanthidin 3-O-beta-D-digitoxoside
formula: C29H42O9
kcf:
ATOM        38
            1   C1y C     2.3708  -14.7458
            2   C1x C     2.3884  -15.5586
            3   O2x O     1.6597  -14.3533
            4   C1y C     1.6894  -15.9798
            5   C1y C     0.9644  -14.7724
            6   C1y C     0.9782  -15.5831
            7   O1a O     1.7069  -16.7925
            8   C1a C     0.2562  -14.3814
            9   O1a O     0.2829  -16.0063
            10  C1z C     5.1966  -13.1171
            11  C1y C     5.9034  -12.7178
            12  C1z C     5.1931  -13.9309
            13  C1x C     4.4924  -12.7143
            14  C4a C     5.1897  -12.3068
            15  C1y C     6.6035  -13.1275
            16  C1x C     5.9103  -11.9109
            17  C1x C     4.4924  -14.3419
            18  C1x C     5.8966  -14.3419
            19  O1a O     5.1862  -14.7413
            20  C1x C     3.7923  -13.1171
            21  O4a O     4.4786  -11.9040
            22  C1z C     7.3035  -12.7247
            23  C1x C     6.6035  -13.9378
            24  C1x C     6.6172  -11.5068
            25  C1y C     3.7923  -13.9309
            26  C1z C     7.3138  -11.9212
            27  C1x C     8.6992  -12.7419
            28  O1a O     7.2966  -13.5350
            29  O2a O     3.0862  -14.3419
            30  C1y C     8.0138  -11.5240
            31  C1a C     7.3069  -11.1074
            32  C1x C     8.7096  -11.9385
            33  C2y C     8.0241  -10.7068
            34  C1x C     7.7751   -9.9344
            35  C2x C     8.8310  -10.7068
            36  O7x O     8.4276   -9.4626
            37  C7x C     9.0862   -9.9344
            38  O7x O     9.8586   -9.6826
BOND        43
            1     1   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     4   7 1 #Down
            6     5   8 1 #Up
            7     6   9 1 #Down
            8     5   6 1
            9    10  11 1
            10   10  12 1
            11   10  13 1
            12   10  14 1 #Up
            13   11  15 1
            14   11  16 1
            15   12  17 1
            16   12  18 1
            17   12  19 1 #Up
            18   13  20 1
            19   14  21 2
            20   15  22 1
            21   15  23 1
            22   16  24 1
            23   17  25 1
            24   22  26 1
            25   22  27 1
            26   22  28 1 #Up
            27   25  29 1 #Up
            28   26  30 1
            29   26  31 1 #Up
            30   27  32 1
            31   30  33 1
            32   33  34 1
            33   33  35 2
            34   34  36 1
            35   35  37 1
            36   37  38 2
            37   18  23 1
            38   20  25 1
            39   24  26 1
            40   30  32 1
            41   36  37 1
            42    1   2 1
            43    1  29 1 #Up


entry: C08870
name: --- - Labriformidin
formula: C29H36O11
kcf:
ATOM        40
            1   C1z C     6.5862  -13.1211
            2   C1y C     5.8862  -12.7039
            3   C1z C     7.2931  -12.7280
            4   C1y C     6.5759  -13.9349
            5   O2x O     7.2862  -13.5280
            6   C1z C     5.1759  -13.1004
            7   C1y C     5.9000  -11.8901
            8   C1z C     7.3103  -11.9177
            9   C1x C     8.6966  -12.7522
            10  O1a O     7.8724  -13.3004
            11  C1x C     5.8621  -14.3315
            12  C1y C     5.1655  -13.9142
            13  C1x C     4.4759  -12.6866
            14  C1a C     5.1690  -12.2797
            15  C5x C     6.6138  -11.4970
            16  O1a O     5.2034  -11.4694
            17  C1y C     8.0172  -11.5246
            18  C1a C     7.3035  -11.0970
            19  C1x C     8.7138  -11.9453
            20  C1x C     4.4621  -14.3142
            21  C1y C     3.7690  -13.0866
            22  O5x O     6.6310  -10.6832
            23  C2y C     8.0345  -10.7108
            24  C1y C     3.7621  -13.9004
            25  O2x O     3.0586  -12.6763
            26  C2x C     8.8448  -10.7108
            27  C1x C     7.7828   -9.9384
            28  O2x O     3.0517  -14.3073
            29  C1z C     2.3517  -13.0797
            30  C7x C     9.1000   -9.9384
            31  O7x O     8.4379   -9.4590
            32  C1y C     2.3483  -13.8970
            33  C5x C     1.6483  -12.6728
            34  O1a O     2.3448  -12.2659
            35  O7x O     9.8759   -9.6866
            36  O2x O     1.6483  -14.3073
            37  C1x C     0.9345  -13.0797
            38  O5x O     1.6483  -11.8556
            39  C1y C     0.9345  -13.8970
            40  C1a C     0.2310  -14.3073
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    7  16 1 #Down
            16    8  17 1
            17    8  18 1 #Up
            18    9  19 1
            19   12  20 1
            20   13  21 1
            21   15  22 2
            22   17  23 1
            23   20  24 1
            24   21  25 1
            25   23  26 2
            26   23  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   29  33 1
            33   29  34 1 #Up
            34   30  35 2
            35   32  36 1
            36   33  37 1
            37   33  38 2
            38   36  39 1
            39   39  40 1 #Down
            40    4   5 1 #Up
            41    8  15 1
            42   11  12 1
            43   17  19 1
            44   21  24 1
            45   29  32 1
            46   30  31 1
            47   37  39 1


entry: C08871
name: --- - Labriformin
formula: C31H39NO10S
kcf:
ATOM        43
            1   C1z C     6.5820  -13.1250
            2   C1y C     5.8820  -12.7078
            3   C1z C     7.2924  -12.7353
            4   C1y C     6.5751  -13.9388
            5   O2x O     7.2820  -13.5319
            6   C1z C     5.1751  -13.1043
            7   C1y C     5.8992  -11.8940
            8   C1z C     7.3061  -11.9216
            9   C1x C     8.7027  -12.7629
            10  C1x C     5.8613  -14.3353
            11  C1y C     5.1613  -13.9181
            12  C1x C     4.4717  -12.6905
            13  C1a C     5.1648  -12.2836
            14  C5x C     6.6130  -11.5009
            15  O1a O     5.1992  -11.4733
            16  C1y C     8.0199  -11.5284
            17  C1a C     7.2992  -11.1009
            18  C1x C     8.7199  -11.9422
            19  C1x C     4.4579  -14.3181
            20  C1y C     3.7648  -13.0905
            21  O5x O     6.6268  -10.6871
            22  C2y C     8.0337  -10.7112
            23  C1y C     3.7579  -13.9043
            24  O2x O     3.0579  -12.6802
            25  C2x C     8.8475  -10.7078
            26  C1x C     7.7855   -9.9388
            27  O2x O     3.0510  -14.3112
            28  C1z C     2.3475  -13.0836
            29  C7x C     9.0992   -9.9353
            30  O7x O     8.4406   -9.4629
            31  C1y C     2.3441  -13.9009
            32  C1z C     1.6441  -12.6802
            33  O1a O     1.6268  -13.4905
            34  O7x O     9.8751   -9.6871
            35  O2x O     1.6441  -14.3112
            36  C1x C     0.9337  -13.0836
            37  N2x N     1.0337  -12.1388
            38  S2x S     2.3441  -12.2698
            39  C1y C     0.9337  -13.9009
            40  C2x C     1.3613  -11.3940
            41  C1x C     2.1682  -11.4733
            42  C1a C     0.2268  -14.3112
            43  O1a O     8.0042  -13.1458
BOND        51
            1     1   3 1
            2     1   4 1
            3     1   5 1 #Up
            4     2   6 1
            5     2   7 1
            6     3   8 1
            7     3   9 1
            8     4  10 1
            9     6  11 1
            10    6  12 1
            11    6  13 1 #Up
            12    7  14 1
            13    7  15 1 #Down
            14    8  16 1
            15    8  17 1 #Up
            16    9  18 1
            17   11  19 1
            18   12  20 1
            19   14  21 2
            20   16  22 1
            21   19  23 1
            22   20  24 1
            23   22  25 2
            24   22  26 1
            25   23  27 1
            26   24  28 1
            27   25  29 1
            28   26  30 1
            29   27  31 1
            30   28  32 1
            31   28  33 1 #Up
            32   29  34 2
            33   31  35 1
            34   32  36 1
            35   32  37 1 #Either
            36   32  38 1
            37   35  39 1
            38   37  40 2
            39   38  41 1
            40   39  42 1 #Down
            41    4   5 1 #Up
            42    8  14 1
            43   10  11 1
            44   16  18 1
            45   20  23 1
            46   28  31 1
            47   29  30 1
            48   36  39 1
            49   40  41 1
            50    3  43 1 #Up
            51    1   2 1


entry: C08872
name: --- - Lanceotoxin A
formula: C32H44O12
kcf:
ATOM        44
            1   C1z C     6.4639  -13.1932
            2   C1z C     6.4605  -14.0070
            3   C1y C     7.1708  -12.7863
            4   C1x C     5.7605  -12.7829
            5   C4a C     6.4570  -12.3760
            6   C1x C     7.1639  -14.4208
            7   C1x C     5.7605  -14.4174
            8   O7a O     6.4536  -14.8208
            9   C1y C     7.8777  -13.2001
            10  C1x C     7.1777  -11.9725
            11  C1x C     5.0467  -13.1932
            12  O4a O     5.7467  -11.9656
            13  C1x C     7.8777  -14.0139
            14  C1y C     5.0467  -14.0070
            15  C7a C     7.1570  -15.2242
            16  C1z C     8.5811  -12.7967
            17  C1x C     7.8915  -11.5691
            18  O7a O     4.3432  -14.4174
            19  C1a C     7.1570  -16.0415
            20  O7a O     7.8639  -14.8174
            21  C1z C     8.5915  -11.9829
            22  C1x C     9.9846  -12.8139
            23  O1a O     8.5742  -13.6070
            24  C7a C     3.6363  -14.0070
            25  C1y C     9.2984  -11.5863
            26  C1a C     8.5846  -11.1656
            27  C1x C     9.9949  -12.0001
            28  C1c C     2.9294  -14.4174
            29  O7a O     3.6363  -13.1932
            30  C8y C     9.3053  -10.7656
            31  C1c C     2.2225  -14.0070
            32  O1a O     2.9260  -15.2346
            33  C8x C    10.0087  -10.3553
            34  C8x C     8.5984  -10.3622
            35  C1c C     1.5191  -14.4174
            36  O1a O     2.2191  -13.1932
            37  C8x C    10.0053   -9.5380
            38  O7x O     8.5915   -9.5449
            39  C1c C     0.8156  -14.0070
            40  O1a O     1.5156  -15.2346
            41  C8y C     9.2984   -9.1311
            42  C1a C     0.1128  -14.4174
            43  O1a O     0.8087  -13.1932
            44  O7x O     9.2915   -8.3258
BOND        48
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   14  18 1 #Up
            18   15  19 1
            19   15  20 2
            20   16  21 1
            21   16  22 1
            22   16  23 1 #Up
            23   18  24 1
            24   21  25 1
            25   21  26 1 #Up
            26   22  27 1
            27   24  28 1
            28   24  29 2
            29   25  30 1
            30   28  31 1
            31   28  32 1 #Down
            32   30  33 1
            33   30  34 2
            34   31  35 1
            35   31  36 1 #Up
            36   33  37 2
            37   34  38 1
            38   35  39 1
            39   35  40 1 #Up
            40   37  41 1
            41   39  42 1
            42   39  43 1 #Down
            43   41  44 2
            44    9  13 1
            45   11  14 1
            46   17  21 1
            47   25  27 1
            48   38  41 1


entry: C08873
name: --- - Lanceotoxin B
formula: C32H44O11
kcf:
ATOM        43
            1   C1y C     2.9333  -14.3250
            2   C1y C     2.9543  -15.1438
            3   O2x O     2.2160  -13.9333
            4   C1y C     2.2550  -15.5693
            5   O1a O     3.6716  -15.5354
            6   C1y C     1.5180  -14.3635
            7   C1y C     1.5376  -15.1777
            8   O1a O     2.2776  -16.3852
            9   C1a C     0.8007  -13.9719
            10  O1a O     0.8430  -15.6018
            11  C1z C     5.7725  -12.6922
            12  C1z C     5.7691  -13.5095
            13  C1y C     6.4794  -12.2888
            14  C1x C     5.0691  -12.2853
            15  C4a C     5.7656  -11.8784
            16  C1x C     5.0691  -13.9198
            17  C1x C     6.4725  -13.9233
            18  O7a O     5.7622  -14.3233
            19  C1y C     7.1829  -12.7026
            20  C1x C     6.4863  -11.4750
            21  C1x C     4.3587  -12.6922
            22  O4a O     5.0587  -11.4681
            23  C1y C     4.3587  -13.5095
            24  C1x C     7.1829  -13.5164
            25  C7a C     6.4656  -14.7267
            26  C1z C     7.8898  -12.2991
            27  C1x C     7.1967  -11.0716
            28  O2a O     3.6518  -13.9198
            29  C1a C     6.4691  -15.5440
            30  O7a O     7.1691  -14.3198
            31  C1z C     7.9001  -11.4853
            32  C1x C     9.2932  -12.3164
            33  O1a O     7.8829  -13.1095
            34  C1y C     8.6070  -11.0888
            35  C1a C     7.8967  -10.6681
            36  C1x C     9.3036  -11.5026
            37  C8y C     8.6174  -10.2681
            38  C8x C     9.3208   -9.8578
            39  C8x C     7.9070   -9.8647
            40  C8x C     9.3139   -9.0405
            41  O7x O     7.9036   -9.0474
            42  C8y C     8.6070   -8.6336
            43  O7x O     8.6036   -7.8169
BOND        48
            1     2   4 1
            2     2   5 1 #Down
            3     3   6 1
            4     4   7 1
            5     4   8 1 #Down
            6     6   9 1 #Down
            7     7  10 1 #Up
            8     6   7 1
            9     1   2 1
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   12  18 1 #Up
            17   13  19 1
            18   13  20 1
            19   14  21 1
            20   15  22 2
            21   16  23 1
            22   17  24 1
            23   18  25 1
            24   19  26 1
            25   20  27 1
            26   23  28 1 #Up
            27   25  29 1
            28   25  30 2
            29   26  31 1
            30   26  32 1
            31   26  33 1 #Up
            32   31  34 1
            33   31  35 1 #Up
            34   32  36 1
            35   34  37 1
            36   37  38 1
            37   37  39 2
            38   38  40 2
            39   39  41 1
            40   40  42 1
            41   42  43 2
            42   19  24 1
            43   21  23 1
            44   27  31 1
            45   34  36 1
            46   41  42 1
            47    1  28 1 #Up
            48    1   3 1


entry: C08874
name: --- - Lokundjoside - Bipindogenin 3-O-alpha-L-rhamnoside
formula: C29H44O10
kcf:
ATOM        39
            1   C1y C     2.3625  -14.5458
            2   C1y C     2.3368  -15.3597
            3   O2x O     1.6680  -14.1149
            4   C1y C     1.6197  -15.7447
            5   O1a O     3.0312  -15.7907
            6   C1y C     0.9480  -14.4980
            7   C1y C     0.9252  -15.3138
            8   O1a O     1.5904  -16.5646
            9   C1a C     0.2564  -14.0690
            10  O1a O     0.2045  -15.7046
            11  C1z C     7.3189  -12.5189
            12  C1y C     6.6154  -12.9223
            13  C1z C     7.3292  -11.7051
            14  C1x C     8.7258  -12.5361
            15  O1a O     7.3120  -13.3326
            16  C1y C     5.9120  -12.5085
            17  C1x C     6.6154  -13.7361
            18  C1y C     8.0361  -11.3085
            19  C1x C     6.6258  -11.2947
            20  C1a C     7.3223  -10.8913
            21  C1x C     8.7361  -11.7223
            22  C1z C     5.2016  -12.9154
            23  C1y C     5.9189  -11.6947
            24  C1x C     5.9051  -14.1430
            25  C2y C     8.0464  -10.4947
            26  C1z C     5.1982  -13.7327
            27  C1x C     4.4982  -12.5051
            28  C1a C     5.1947  -12.0982
            29  O1a O     5.2120  -11.2809
            30  C2x C     8.8568  -10.4947
            31  C1x C     7.7947   -9.7223
            32  C1x C     4.4982  -14.1395
            33  O1a O     5.1878  -14.5430
            34  C1x C     3.7878  -12.9154
            35  C7x C     9.1120   -9.7223
            36  O7x O     8.4499   -9.2430
            37  C1y C     3.7878  -13.7327
            38  O7x O     9.8878   -9.4706
            39  O2a O     3.0809  -14.1395
BOND        44
            1     6   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     2   5 1 #Down
            6     3   6 1
            7     4   7 1
            8     4   8 1 #Down
            9     6   9 1 #Down
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   16  22 1
            21   16  23 1
            22   17  24 1
            23   18  25 1
            24   22  26 1
            25   22  27 1
            26   22  28 1 #Up
            27   23  29 1 #Down
            28   25  30 2
            29   25  31 1
            30   26  32 1
            31   26  33 1 #Up
            32   27  34 1
            33   30  35 1
            34   31  36 1
            35   32  37 1
            36   35  38 2
            37   37  39 1 #Up
            38   18  21 1
            39   19  23 1
            40   24  26 1
            41   34  37 1
            42   35  36 1
            43    7  10 1 #Up
            44    1  39 1 #Up


entry: C08875
name: --- - Musaroside - Sarmutogenin 3-O-beta-D-digitaloside
formula: C30H44O10
kcf:
ATOM        40
            1   C1y C     2.7000  -14.5458
            2   C1y C     2.6984  -15.3603
            3   O2x O     1.9931  -14.1357
            4   C1y C     1.9929  -15.7662
            5   O1a O     3.4053  -15.7704
            6   C1y C     1.2847  -14.5399
            7   C1y C     1.2844  -15.3590
            8   O2a O     1.9879  -16.5865
            9   C1a C     0.5791  -14.1345
            10  O1a O     0.5742  -15.7662
            11  C1a C     1.2824  -16.9925
            12  C1z C     7.6556  -12.5169
            13  C1y C     6.9522  -12.9204
            14  C1z C     7.6659  -11.7031
            15  C1x C     9.0659  -12.5342
            16  O1a O     7.6487  -13.3307
            17  C1y C     6.2522  -12.5066
            18  C1x C     6.9522  -13.7342
            19  C1y C     8.3728  -11.3066
            20  C1y C     6.9660  -11.2928
            21  C1a C     7.6625  -10.8893
            22  C1x C     9.0763  -11.7204
            23  C1z C     5.5384  -12.9135
            24  C5x C     6.2591  -11.6928
            25  C1x C     6.2453  -14.1411
            26  C2y C     8.3832  -10.4928
            27  O1a O     6.9625  -10.4721
            28  C1y C     5.5349  -13.7307
            29  C1x C     4.8349  -12.5031
            30  C1a C     5.5315  -12.0962
            31  O5x O     5.5522  -11.2790
            32  C2x C     9.1970  -10.4928
            33  C1x C     8.1349   -9.7204
            34  C1x C     4.8349  -14.1376
            35  C1x C     4.1280  -12.9135
            36  C7x C     9.4487   -9.7204
            37  O7x O     8.7901   -9.2411
            38  C1y C     4.1280  -13.7307
            39  O7x O    10.2246   -9.4686
            40  O2a O     3.4177  -14.1376
BOND        45
            1     7  10 1 #Up
            2     8  11 1
            3     6   7 1
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     2   5 1 #Down
            8     3   6 1
            9     4   7 1
            10    4   8 1 #Up
            11   12  13 1
            12   12  14 1
            13   12  15 1
            14   12  16 1 #Up
            15   13  17 1
            16   13  18 1
            17   14  19 1
            18   14  20 1
            19   14  21 1 #Up
            20   15  22 1
            21   17  23 1
            22   17  24 1
            23   18  25 1
            24   19  26 1
            25   20  27 1 #Up
            26   23  28 1
            27   23  29 1
            28   23  30 1 #Up
            29   24  31 2
            30   26  32 2
            31   26  33 1
            32   28  34 1
            33   29  35 1
            34   32  36 1
            35   33  37 1
            36   34  38 1
            37   36  39 2
            38   38  40 1 #Up
            39   19  22 1
            40   20  24 1
            41   25  28 1
            42   35  38 1
            43   36  37 1
            44    1  40 1 #Up
            45    6   9 1 #Up


entry: C08876
name: --- - Neriifolin - Digitoxigenin 3-(alpha-L-thevetoside)
formula: C30H46O8
kcf:
ATOM        38
            1   C1y C    13.5666  -15.9333
            2   C1y C    13.5768  -16.7476
            3   O2x O    12.8540  -15.5332
            4   C1y C    12.8771  -17.1636
            5   O1a O    14.2894  -17.1477
            6   C1y C    12.1544  -15.9492
            7   C1y C    12.1628  -16.7666
            8   O2a O    12.8838  -17.9840
            9   C1a C    11.4401  -15.5522
            10  O1a O    11.4614  -17.1856
            11  C1a C    12.1842  -18.3999
            12  C1y C    17.2026  -14.0901
            13  C1x C    17.2095  -13.2763
            14  C1z C    16.4888  -14.4970
            15  C1y C    17.9026  -14.5039
            16  C1x C    17.9129  -12.8728
            17  C1y C    16.4853  -15.3142
            18  C1x C    15.7853  -14.0901
            19  C1a C    16.4819  -13.6797
            20  C1z C    18.6060  -14.1004
            21  C1x C    17.9026  -15.3211
            22  C1z C    18.6164  -13.2901
            23  C1x C    15.7853  -15.7211
            24  C1x C    17.1957  -15.7246
            25  C1x C    15.0784  -14.4970
            26  C1x C    20.0164  -14.1177
            27  O1a O    18.5991  -14.9142
            28  C1y C    19.3233  -12.8901
            29  C1a C    18.6129  -12.4728
            30  C1y C    15.0784  -15.3142
            31  C1x C    20.0267  -13.3073
            32  C2y C    19.3198  -12.0728
            33  O2a O    14.3681  -15.7211
            34  C2x C    20.1336  -12.0728
            35  C1x C    19.0716  -11.3004
            36  C7x C    20.3888  -11.3004
            37  O7x O    19.7267  -10.8211
            38  O7x O    21.1647  -11.0487
BOND        43
            1     6   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     2   5 1 #Up
            6     3   6 1
            7     4   7 1
            8     4   8 1 #Down
            9     6   9 1 #Down
            10    7  10 1 #Up
            11   12  13 1
            12   12  14 1
            13   12  15 1
            14   13  16 1
            15   14  17 1
            16   14  18 1
            17   14  19 1 #Up
            18   15  20 1
            19   15  21 1
            20   16  22 1
            21   17  23 1
            22   17  24 1
            23   18  25 1
            24   20  26 1
            25   20  27 1 #Up
            26   22  28 1
            27   22  29 1 #Up
            28   23  30 1
            29   26  31 1
            30   28  32 1
            31   30  33 1 #Up
            32   32  34 2
            33   32  35 1
            34   34  36 1
            35   35  37 1
            36   36  38 2
            37   20  22 1
            38   21  24 1
            39   25  30 1
            40   28  31 1
            41   36  37 1
            42    8  11 1
            43    1  33 1 #Up


entry: C08877
name: --- - Rhodexin A - Sarmentogenin 3-O-alpha-L-rhamnoside
formula: C29H44O9
kcf:
ATOM        38
            1   C1y C     2.3695  -14.5359
            2   C1y C     2.3704  -15.3473
            3   O2x O     1.6653  -14.1280
            4   C1y C     1.6652  -15.7538
            5   O1a O     3.0716  -15.7534
            6   C1y C     0.9631  -14.5363
            7   C1y C     0.9610  -15.3460
            8   O1a O     1.6643  -16.5682
            9   C1a C     0.2589  -14.1284
            10  O1a O     0.2588  -15.7542
            11  C1z C     7.3051  -12.5156
            12  C1y C     6.6051  -12.9156
            13  C1z C     7.3154  -11.7087
            14  C1x C     8.7085  -12.5329
            15  O1a O     7.2982  -13.3260
            16  C1y C     5.9085  -12.5053
            17  C1x C     6.6051  -13.7294
            18  C1y C     8.0154  -11.3087
            19  C1x C     6.6189  -11.2949
            20  C1a C     7.3120  -10.8949
            21  C1x C     8.7189  -11.7260
            22  C1z C     5.1982  -12.9087
            23  C1y C     5.9154  -11.6949
            24  C1x C     5.9016  -14.1329
            25  C2y C     8.0258  -10.4984
            26  C1y C     5.1947  -13.7225
            27  C1x C     4.4982  -12.5018
            28  C1a C     5.1913  -12.0949
            29  O1a O     5.2120  -11.2811
            30  C2x C     8.8361  -10.4984
            31  C1x C     7.7809   -9.7329
            32  C1x C     4.4982  -14.1294
            33  C1x C     3.7982  -12.9087
            34  C7x C     9.0878   -9.7329
            35  O7x O     8.4326   -9.2570
            36  C1y C     3.7982  -13.7225
            37  O7x O     9.8602   -9.4811
            38  O2a O     3.0878  -14.1294
BOND        43
            1     6   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     2   5 1 #Down
            6     3   6 1
            7     4   7 1
            8     4   8 1 #Down
            9     6   9 1 #Down
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   16  22 1
            21   16  23 1
            22   17  24 1
            23   18  25 1
            24   22  26 1
            25   22  27 1
            26   22  28 1 #Up
            27   23  29 1 #Down
            28   25  30 2
            29   25  31 1
            30   26  32 1
            31   27  33 1
            32   30  34 1
            33   31  35 1
            34   32  36 1
            35   34  37 2
            36   36  38 1 #Up
            37   18  21 1
            38   19  23 1
            39   24  26 1
            40   33  36 1
            41   34  35 1
            42    7  10 1 #Up
            43    1  38 1 #Up


entry: C08878
name: --- - Sarmentoloside - Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)
formula: C29H44O11
kcf:
ATOM        40
            1   C1y C     2.3594  -14.5447
            2   C1y C     2.3575  -15.3591
            3   O2x O     1.6527  -14.1342
            4   C1y C     1.6502  -15.7677
            5   O1a O     3.0642  -15.7695
            6   C1y C     0.9454  -14.5429
            7   C1y C     0.9434  -15.3573
            8   O1a O     1.6495  -16.5868
            9   C1a C     0.2387  -14.1325
            10  O1a O     0.2343  -15.7689
            11  C1z C     5.1980  -12.9159
            12  C1y C     5.9083  -12.5125
            13  C1z C     5.1945  -13.7332
            14  C1x C     4.4945  -12.5091
            15  C1b C     5.1911  -12.0987
            16  C1y C     6.6117  -12.9228
            17  C1y C     5.9152  -11.6953
            18  C1x C     5.9014  -14.1435
            19  C1x C     4.4945  -14.1401
            20  O1a O     5.1876  -14.5470
            21  C1x C     3.7876  -12.9159
            22  O1a O     4.4807  -11.6918
            23  C1z C     7.3152  -12.5194
            24  C1x C     6.6117  -13.7401
            25  C1x C     6.6255  -11.2953
            26  O1a O     5.2083  -11.2815
            27  C1y C     3.7876  -13.7332
            28  C1z C     7.3255  -11.7091
            29  C1x C     8.7221  -12.5366
            30  O1a O     7.3083  -13.3332
            31  O2a O     3.0773  -14.1401
            32  C1y C     8.0324  -11.3125
            33  C1a C     7.3186  -10.8918
            34  C1x C     8.7324  -11.7263
            35  C2y C     8.0428  -10.4953
            36  C1x C     7.7911   -9.7228
            37  C2x C     8.8531  -10.4953
            38  O7x O     8.4462   -9.2435
            39  C7x C     9.1083   -9.7228
            40  O7x O     9.8842   -9.4711
BOND        45
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1 #Down
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     6   9 1 #Down
            9     7  10 1 #Down
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   15  22 1
            21   16  23 1
            22   16  24 1
            23   17  25 1
            24   17  26 1 #Down
            25   19  27 1
            26   23  28 1
            27   23  29 1
            28   23  30 1 #Up
            29   27  31 1 #Up
            30   28  32 1
            31   28  33 1 #Up
            32   29  34 1
            33   32  35 1
            34   35  36 1
            35   35  37 2
            36   36  38 1
            37   37  39 1
            38   39  40 2
            39   18  24 1
            40   21  27 1
            41   25  28 1
            42   32  34 1
            43   38  39 1
            44    1  31 1 #Up
            45    6   7 1


entry: C08879
name: --- - Scillaren A - Scillarenin 3-O-glucosylrhamnoside
formula: C36H52O13
kcf:
ATOM        49
            1   C1y C    12.7755  -17.1615
            2   O2x O    12.0683  -16.7551
            3   C1y C    12.7795  -17.9822
            4   C1y C    11.3617  -17.1659
            5   C1y C    12.0729  -18.3930
            6   C1y C    11.3623  -17.9832
            7   C1b C    10.6528  -16.7595
            8   O1a O    12.0735  -19.2068
            9   O1a O    10.6540  -18.3940
            10  C1y C    15.6061  -15.5165
            11  C1y C    15.6129  -16.3308
            12  O2x O    14.8950  -15.1136
            13  C1y C    14.9117  -16.7441
            14  O1a O    16.3239  -16.7337
            15  C1y C    14.1938  -15.5269
            16  C1y C    14.2006  -16.3413
            17  O1a O    14.9185  -17.5585
            18  C1a C    13.4809  -15.1270
            19  O2a O    13.4977  -16.7575
            20  C1z C    20.5595  -13.4856
            21  C1y C    19.8526  -13.8890
            22  C1z C    20.5664  -12.6752
            23  C1x C    21.9664  -13.5028
            24  O1a O    20.5491  -14.2994
            25  C1y C    19.1526  -13.4752
            26  C1x C    19.8526  -14.7063
            27  C1y C    21.2802  -12.2752
            28  C1x C    19.8664  -12.2614
            29  C1a C    20.5629  -11.8580
            30  C1x C    21.9767  -12.6925
            31  C1z C    18.4457  -13.8821
            32  C1x C    19.1595  -12.6614
            33  C1x C    19.1457  -15.1097
            34  C8y C    21.2871  -11.4580
            35  C2y C    18.4422  -14.6994
            36  C1x C    17.7353  -13.4752
            37  C1a C    18.4388  -13.0649
            38  C8x C    21.9905  -11.0442
            39  C8x C    20.5733  -11.0511
            40  C2x C    17.7353  -15.1063
            41  C1x C    17.0284  -13.8821
            42  C8x C    21.9871  -10.2269
            43  O7x O    20.5698  -10.2338
            44  C1y C    17.0284  -14.6994
            45  C8y C    21.2767   -9.8235
            46  O2a O    16.3216  -15.1063
            47  O7x O    21.2733   -9.0152
            48  O1a O    13.4956  -18.3918
            49  O1a O     9.9396  -17.1742
BOND        55
            1    11  14 1 #Down
            2    12  15 1
            3    13  16 1
            4    13  17 1 #Down
            5    15  18 1 #Down
            6    16  19 1 #Up
            7    15  16 1
            8     1   2 1
            9     1   3 1
            10    2   4 1
            11    3   5 1
            12    4   6 1
            13    4   7 1 #Up
            14    5   8 1 #Up
            15    6   9 1 #Down
            16    5   6 1
            17   20  21 1
            18   20  22 1
            19   20  23 1
            20   20  24 1 #Up
            21   21  25 1
            22   21  26 1
            23   22  27 1
            24   22  28 1
            25   22  29 1 #Up
            26   23  30 1
            27   25  31 1
            28   25  32 1
            29   26  33 1
            30   27  34 1
            31   31  35 1
            32   31  36 1
            33   31  37 1 #Up
            34   34  38 1
            35   34  39 2
            36   35  40 2
            37   36  41 1
            38   38  42 2
            39   39  43 1
            40   40  44 1
            41   42  45 1
            42   44  46 1 #Up
            43   45  47 2
            44   27  30 1
            45   28  32 1
            46   33  35 1
            47   41  44 1
            48   43  45 1
            49   10  46 1 #Up
            50    1  19 1 #Up
            51   10  11 1
            52    3  48 1 #Down
            53   10  12 1
            54   11  13 1
            55    7  49 1


entry: C08880
name: --- - Scilliroside - Scillirosidin 3-O-beta-D-glucoside
formula: C32H44O12
kcf:
ATOM        44
            1   C1y C    14.1990  -16.3431
            2   O2x O    13.4910  -15.9349
            3   C1y C    14.1928  -17.1635
            4   C1y C    12.7802  -16.3412
            5   C1y C    13.4868  -17.5684
            6   O1a O    14.8991  -17.5745
            7   C1y C    12.7805  -17.1573
            8   C1b C    12.0751  -15.9347
            9   O1a O    13.4842  -18.3828
            10  O1a O    12.0698  -17.5635
            11  C1z C    19.1533  -14.3159
            12  C1z C    18.4430  -14.7194
            13  C1z C    19.1637  -13.5022
            14  C1x C    20.5568  -14.3332
            15  O1a O    19.1464  -15.1297
            16  C1y C    17.7430  -14.3056
            17  C1x C    18.4430  -15.5332
            18  O1a O    18.4361  -13.8987
            19  C1y C    19.8706  -13.1056
            20  C1x C    18.4568  -13.0918
            21  C1a C    19.1568  -12.6849
            22  C1x C    20.5671  -13.5194
            23  C1z C    17.0361  -14.7125
            24  C1x C    17.7499  -13.4918
            25  C1y C    17.7361  -15.9401
            26  C8y C    19.8775  -12.2849
            27  C2y C    17.0326  -15.5297
            28  C1x C    16.3326  -14.3022
            29  C1a C    17.0292  -13.8953
            30  O7a O    17.7326  -16.7573
            31  C8x C    20.5809  -11.8746
            32  C8x C    19.1706  -11.8815
            33  C2x C    16.3326  -15.9366
            34  C1x C    15.6189  -14.7125
            35  C7a C    18.4361  -17.1573
            36  C8x C    20.5775  -11.0573
            37  O7x O    19.1637  -11.0642
            38  C1y C    15.6189  -15.5297
            39  C1a C    18.4395  -17.9746
            40  O7a O    19.1464  -16.7504
            41  C8y C    19.8706  -10.6539
            42  O2a O    14.9154  -15.9366
            43  O7x O    19.8637   -9.8384
            44  O1a O    11.3609  -16.3477
BOND        49
            1     5   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     3   6 1 #Down
            7     4   7 1
            8     4   8 1 #Up
            9     5   9 1 #Up
            10    7  10 1 #Down
            11   11  12 1
            12   11  13 1
            13   11  14 1
            14   11  15 1 #Up
            15   12  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   13  19 1
            19   13  20 1
            20   13  21 1 #Up
            21   14  22 1
            22   16  23 1
            23   16  24 1
            24   17  25 1
            25   19  26 1
            26   23  27 1
            27   23  28 1
            28   23  29 1 #Up
            29   25  30 1 #Up
            30   26  31 1
            31   26  32 2
            32   27  33 2
            33   28  34 1
            34   30  35 1
            35   31  36 2
            36   32  37 1
            37   33  38 1
            38   35  39 1
            39   35  40 2
            40   36  41 1
            41   38  42 1 #Up
            42   41  43 2
            43   19  22 1
            44   20  24 1
            45   25  27 1
            46   34  38 1
            47   37  41 1
            48    1  42 1 #Up
            49    8  44 1


entry: C08881
name: --- - k-Strophanthoside - Strophanthidin 3-diglucosylcymarose
formula: C42H64O19
kcf:
ATOM        61
            1   C1y C    10.7676  -17.8192
            2   O2x O    10.0649  -17.4005
            3   C1y C    10.7557  -18.6364
            4   C1y C     9.3503  -17.8026
            5   C1y C    10.0446  -19.0350
            6   O1a O    11.4651  -19.0585
            7   C1y C     9.3419  -18.6198
            8   C1b C     8.6547  -17.3736
            9   O1a O    10.0361  -19.8447
            10  O1a O     8.6273  -19.0183
            11  C1y C    13.6203  -16.1889
            12  O2x O    12.9128  -15.7717
            13  C1y C    13.6154  -17.0069
            14  C1y C    12.1989  -16.1769
            15  C1y C    12.9015  -17.4121
            16  O1a O    14.3276  -17.4255
            17  C1y C    12.1926  -16.9995
            18  C1b C    11.4977  -15.7640
            19  O1a O    12.8952  -18.2347
            20  O2a O    11.4847  -17.4014
            21  C1y C    16.4588  -14.5287
            22  C1x C    16.4652  -15.3461
            23  O2x O    15.7442  -14.1253
            24  C1y C    15.7645  -15.7603
            25  C1y C    15.0389  -14.5409
            26  C1y C    15.0499  -15.3570
            27  O2a O    15.7692  -16.5808
            28  C1a C    14.3242  -14.1374
            29  O2a O    14.3369  -15.7721
            30  C1a C    15.0571  -16.9973
            31  C1z C    19.3102  -12.8938
            32  C1y C    20.0171  -12.4869
            33  C1z C    19.3068  -13.7144
            34  C1x C    18.5999  -12.4834
            35  C4a C    19.3034  -12.0731
            36  C1y C    20.7240  -12.9007
            37  C1x C    20.0275  -11.6662
            38  C1x C    20.0137  -14.1248
            39  C1x C    18.5999  -14.1213
            40  O1a O    19.2965  -14.5248
            41  C1x C    17.8896  -12.8938
            42  O4a O    18.5896  -11.6627
            43  C1z C    21.4275  -12.4972
            44  C1x C    20.7240  -13.7179
            45  C1x C    20.7344  -11.2696
            46  C1y C    17.8896  -13.7144
            47  C1z C    21.4344  -11.6800
            48  C1x C    22.8378  -12.5110
            49  O1a O    21.4206  -13.3076
            50  O2a O    17.1792  -14.1213
            51  C1y C    22.1482  -11.2869
            52  C1a C    21.4309  -10.8627
            53  C1x C    22.8482  -11.6972
            54  C2y C    22.1551  -10.4662
            55  C1x C    21.9033   -9.6903
            56  C2x C    22.9723  -10.4662
            57  O7x O    22.5654   -9.2110
            58  C7x C    23.2275   -9.6903
            59  O7x O    24.0034   -9.4386
            60  O1a O    10.7797  -16.1704
            61  O1a O     7.9286  -17.7652
BOND        68
            1    15  19 1 #Up
            2    17  20 1 #Down
            3    15  17 1
            4     5   7 1
            5     1   2 1
            6     1   3 1
            7     2   4 1
            8     3   5 1
            9     3   6 1 #Down
            10    4   7 1
            11    4   8 1 #Up
            12    5   9 1 #Up
            13    7  10 1 #Down
            14   11  12 1
            15   11  13 1
            16   12  14 1
            17   13  15 1
            18   13  16 1 #Down
            19   21  22 1
            20   21  23 1
            21   22  24 1
            22   23  25 1
            23   24  26 1
            24   24  27 1 #Down
            25   25  28 1 #Up
            26   26  29 1 #Down
            27   25  26 1
            28   14  17 1
            29   11  29 1 #Up
            30    1  20 1 #Up
            31   31  32 1
            32   31  33 1
            33   31  34 1
            34   31  35 1 #Up
            35   32  36 1
            36   32  37 1
            37   33  38 1
            38   33  39 1
            39   33  40 1 #Up
            40   34  41 1
            41   35  42 2
            42   36  43 1
            43   36  44 1
            44   37  45 1
            45   39  46 1
            46   43  47 1
            47   43  48 1
            48   43  49 1 #Up
            49   46  50 1 #Up
            50   47  51 1
            51   47  52 1 #Up
            52   48  53 1
            53   51  54 1
            54   54  55 1
            55   54  56 2
            56   55  57 1
            57   56  58 1
            58   58  59 2
            59   38  44 1
            60   41  46 1
            61   45  47 1
            62   51  53 1
            63   57  58 1
            64   21  50 1 #Up
            65   14  18 1 #Up
            66   18  60 1
            67   27  30 1
            68    8  61 1


entry: C08882
name: --- - Thevetin A - Cannogenin 3-O-gentiobiosylthevetoside
formula: C42H64O19
kcf:
ATOM        61
            1   C1y C    -0.8011  -14.9387
            2   O2x O    -1.5090  -14.5201
            3   C1y C    -0.8145  -15.7720
            4   C1y C    -2.2402  -14.9209
            5   C1y C    -1.5320  -16.1765
            6   O1a O    -0.1033  -16.1905
            7   C1y C    -2.2466  -15.7509
            8   C1b C    -2.9479  -14.4957
            9   O1a O    -1.5452  -16.9980
            10  O1a O    -2.9675  -16.1554
            11  O1a O    -3.6653  -14.9001
            12  C1y C     2.7522  -14.5479
            13  O2x O     2.0464  -14.1409
            14  C1y C     2.7523  -15.3671
            15  C1y C     1.3392  -14.5458
            16  C1y C     2.0403  -15.7749
            17  O1a O     3.4597  -15.7813
            18  C1b C     0.6288  -14.1375
            19  C1y C     1.3359  -15.3590
            20  O1a O     2.0387  -16.5912
            21  O2a O    -0.0837  -14.5335
            22  O1a O     0.6274  -15.7729
            23  C1y C     5.5709  -12.9041
            24  C1y C     5.5781  -13.7191
            25  O2x O     4.8644  -12.5047
            26  C1y C     4.8740  -14.1358
            27  O1a O     6.2904  -14.1261
            28  C1y C     4.1627  -12.9129
            29  C1y C     4.1634  -13.7321
            30  O2a O     4.8812  -14.9507
            31  C1a C     3.4469  -12.5160
            32  O2a O     3.4629  -14.1428
            33  C1a C     4.1684  -15.3644
            34  C1z C     8.4020  -11.2744
            35  C1y C     9.1116  -10.8750
            36  C1y C     8.4020  -12.0874
            37  C1x C     7.6993  -10.8681
            38  C4a C     8.3986  -10.4578
            39  C1y C     9.8185  -11.2812
            40  C1x C     9.1151  -10.0585
            41  C1x C     9.1013  -12.5012
            42  C1x C     7.6993  -12.5012
            43  C1x C     6.9897  -11.2744
            44  O4a O     7.6856  -10.0551
            45  C1z C    10.5179  -10.8819
            46  C1x C     9.8185  -12.0943
            47  C1x C     9.8323   -9.6516
            48  C1y C     6.9897  -12.0874
            49  C1z C    10.5282  -10.0689
            50  C1x C    11.9233  -10.8957
            51  O1a O    10.5110  -11.6950
            52  O2a O     6.2870  -12.5012
            53  C1y C    11.2413   -9.6689
            54  C1a C    10.5248   -9.2524
            55  C1x C    11.9336  -10.0861
            56  C2y C    11.2482   -8.8524
            57  C1x C    10.9964   -8.0806
            58  C2x C    12.0543   -8.8524
            59  O7x O    11.6474   -7.6089
            60  C7x C    12.3095   -8.0806
            61  O7x O    13.0881   -7.8220
BOND        68
            1     4   7 1
            2     4   8 1 #Up
            3     5   9 1 #Up
            4     7  10 1 #Down
            5     8  11 1
            6     5   7 1
            7     1   2 1
            8     1   3 1
            9     2   4 1
            10    3   5 1
            11    3   6 1 #Down
            12   29  32 1 #Up
            13   30  33 1
            14   28  29 1
            15   16  19 1
            16   12  13 1
            17   12  14 1
            18   13  15 1
            19   14  16 1
            20   14  17 1 #Down
            21   15  18 1 #Up
            22   15  19 1
            23   16  20 1 #Up
            24   18  21 1
            25   19  22 1 #Down
            26   23  24 1
            27   23  25 1
            28   24  26 1
            29   24  27 1 #Up
            30   25  28 1
            31   26  29 1
            32   26  30 1 #Down
            33   34  35 1
            34   34  36 1
            35   34  37 1
            36   34  38 1 #Up
            37   35  39 1
            38   35  40 1
            39   36  41 1
            40   36  42 1
            41   37  43 1
            42   38  44 2
            43   39  45 1
            44   39  46 1
            45   40  47 1
            46   42  48 1
            47   45  49 1
            48   45  50 1
            49   45  51 1 #Up
            50   48  52 1 #Up
            51   49  53 1
            52   49  54 1 #Up
            53   50  55 1
            54   53  56 1
            55   56  57 1
            56   56  58 2
            57   57  59 1
            58   58  60 1
            59   60  61 2
            60   41  46 1
            61   43  48 1
            62   47  49 1
            63   53  55 1
            64   59  60 1
            65   28  31 1 #Down
            66   23  52 1 #Up
            67   12  32 1 #Up
            68    1  21 1 #Up


entry: C08883
name: --- - Uscharidin
formula: C29H38O9
kcf:
ATOM        38
            1   C1z C     5.1764  -13.1034
            2   C1y C     5.8867  -12.7034
            3   C1y C     5.1661  -13.9172
            4   C1x C     4.4764  -12.6897
            5   C4a C     5.1695  -12.2828
            6   C1y C     6.5868  -13.1241
            7   C1x C     5.9005  -11.8931
            8   C1x C     4.4626  -14.3172
            9   C1x C     5.8626  -14.3345
            10  C1y C     3.7695  -13.0897
            11  O4a O     4.4592  -11.8759
            12  C1z C     7.2936  -12.7276
            13  C1x C     6.5764  -13.9379
            14  C1x C     6.6143  -11.5000
            15  C1y C     3.7592  -13.9034
            16  O2x O     3.0592  -12.6759
            17  C1z C     7.3109  -11.9207
            18  C1x C     8.6971  -12.7552
            19  O1a O     7.2902  -13.5414
            20  O2x O     3.0523  -14.3103
            21  C1z C     2.3523  -13.0828
            22  C1y C     8.0178  -11.5276
            23  C1a C     7.3040  -11.1000
            24  C1x C     8.7143  -11.9448
            25  C1y C     2.3488  -13.9000
            26  C5x C     1.6488  -12.6759
            27  O1a O     2.3454  -12.2655
            28  C2y C     8.0316  -10.7138
            29  O2x O     1.6488  -14.3069
            30  C1x C     0.9350  -13.0828
            31  O5x O     1.6488  -11.8586
            32  C2x C     8.8454  -10.7103
            33  C1x C     7.7833   -9.9414
            34  C1y C     0.9350  -13.9000
            35  C7x C     9.1005   -9.9379
            36  O7x O     8.4385   -9.4621
            37  C1a C     0.2316  -14.3069
            38  O7x O     9.8764   -9.6862
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 1
            16   12  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Up
            23   18  24 1
            24   20  25 1
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 1
            28   25  29 1
            29   26  30 1
            30   26  31 2
            31   28  32 2
            32   28  33 1
            33   29  34 1
            34   32  35 1
            35   33  36 1
            36   34  37 1 #Down
            37   35  38 2
            38    9  13 1
            39   10  15 1
            40   14  17 1
            41   21  25 1
            42   22  24 1
            43   30  34 1
            44   35  36 1


entry: C08884
name: --- - Vernadigin - Strophadogenin 3-O-beta-D-diginoside
formula: C30H44O10
kcf:
ATOM        40
            1   C1y C     2.6208  -14.5583
            2   C1x C     2.6339  -15.3755
            3   O2x O     1.9041  -14.1654
            4   C1y C     1.9368  -15.7956
            5   C1y C     1.2071  -14.5854
            6   C1y C     1.2218  -15.3997
            7   O2a O     1.9499  -16.6128
            8   C1a C     0.4920  -14.1895
            9   O1a O     0.5213  -15.8258
            10  C1a C     1.2450  -17.0326
            11  C1z C     5.5428  -13.1254
            12  C1y C     6.2566  -12.7220
            13  C1z C     5.5393  -13.9427
            14  C1x C     4.8393  -12.7185
            15  C4a C     5.5359  -12.3082
            16  C1y C     6.9566  -13.1323
            17  C1x C     6.2600  -11.9047
            18  C1x C     4.8393  -14.3496
            19  C1x C     6.2462  -14.3530
            20  O1a O     5.5324  -14.7530
            21  C1x C     4.1324  -13.1254
            22  O4a O     4.9566  -11.7254
            23  C1z C     7.6600  -12.7289
            24  C1x C     6.9566  -13.9496
            25  C1x C     6.9704  -11.5047
            26  C1y C     4.1324  -13.9427
            27  C1z C     7.6704  -11.9185
            28  C1x C     9.0669  -12.7461
            29  O1a O     7.6531  -13.5427
            30  O2a O     3.4221  -14.3496
            31  C1y C     8.3773  -11.5185
            32  C1a C     7.6635  -11.1013
            33  C1y C     9.0773  -11.9358
            34  C2y C     8.3876  -10.7047
            35  O1a O     9.7911  -11.5358
            36  C1x C     8.1359   -9.9289
            37  C2x C     9.1980  -10.7047
            38  O7x O     8.7911   -9.4530
            39  C7x C     9.4531   -9.9289
            40  O7x O    10.2290   -9.6772
BOND        45
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Up
            7     5   8 1 #Up
            8     6   9 1 #Up
            9     7  10 1
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   15  22 2
            21   16  23 1
            22   16  24 1
            23   17  25 1
            24   18  26 1
            25   23  27 1
            26   23  28 1
            27   23  29 1 #Up
            28   26  30 1 #Up
            29   27  31 1
            30   27  32 1 #Up
            31   28  33 1
            32   31  34 1
            33   33  35 1 #Up
            34   34  36 1
            35   34  37 2
            36   36  38 1
            37   37  39 1
            38   39  40 2
            39   19  24 1
            40   21  26 1
            41   25  27 1
            42   31  33 1
            43   38  39 1
            44    5   6 1
            45    1  30 1 #Up


entry: C08885
name: --- - Agavoside A
formula: C33H52O9
kcf:
ATOM        42
            1   C1y C     1.4875  -14.2833
            2   O2x O     0.7877  -13.8887
            3   C1y C     1.4933  -15.0883
            4   C1y C     0.0936  -14.2989
            5   C1y C     0.8039  -15.4973
            6   O1a O     2.1948  -15.4800
            7   C1y C     0.1024  -15.1055
            8   C1b C    -0.6062  -13.9042
            9   O1a O     0.8097  -16.3022
            10  O1a O    -0.5917  -15.5159
            11  C1y C     7.1717  -11.2828
            12  C1z C     6.4751  -11.6759
            13  C1y C     7.8682  -11.6966
            14  C1y C     7.1751  -10.4793
            15  C1y C     6.4648  -12.4759
            16  C5x C     5.7820  -11.2690
            17  C1a C     6.4682  -10.8724
            18  O2x O     8.5579  -11.2897
            19  C1x C     7.8510  -12.4931
            20  C1z C     8.5613  -10.4828
            21  C1a C     6.6061   -9.9138
            22  C1y C     5.7682  -12.8759
            23  C1x C     5.0820  -11.6655
            24  O5x O     5.7751  -10.4621
            25  C1x C     9.2544  -10.8862
            26  O2x O     8.5613   -9.6793
            27  C1y C     5.0751  -12.4690
            28  C1x C     5.7682  -13.6793
            29  C1x C     9.9510  -10.4828
            30  C1x C     9.2579   -9.2759
            31  C1z C     4.3786  -12.8690
            32  C1x C     5.0682  -14.0759
            33  C1y C     9.9544   -9.6793
            34  C1y C     4.3751  -13.6724
            35  C1x C     3.6855  -12.4655
            36  C1a C     4.3717  -12.0621
            37  C1a C    10.6510   -9.2759
            38  C1x C     3.6855  -14.0724
            39  C1x C     2.9855  -12.8690
            40  C1y C     2.9855  -13.6724
            41  O2a O     2.2889  -14.0724
            42  O1a O    -0.6145  -13.0792
BOND        48
            1     3   6 1 #Down
            2     4   7 1
            3     4   8 1 #Up
            4     5   9 1 #Up
            5     7  10 1 #Up
            6     5   7 1
            7     1   2 1
            8     1   3 1
            9     2   4 1
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   12  15 1
            14   12  16 1
            15   12  17 1 #Up
            16   13  18 1
            17   13  19 1
            18   14  20 1
            19   14  21 1 #Down
            20   15  22 1
            21   16  23 1
            22   16  24 2
            23   20  25 1
            24   20  26 1 #Down
            25   22  27 1
            26   22  28 1
            27   25  29 1
            28   26  30 1
            29   27  31 1
            30   28  32 1
            31   29  33 1
            32   31  34 1
            33   31  35 1
            34   31  36 1 #Up
            35   33  37 1 #Down
            36   34  38 1
            37   35  39 1
            38   38  40 1
            39   40  41 1 #Up
            40   15  19 1
            41   18  20 1
            42   23  27 1
            43   30  33 1
            44   32  34 1
            45   39  40 1
            46    1  41 1 #Up
            47    3   5 1
            48    8  42 1


entry: C08886
name: --- - Asparagoside A
formula: C33H54O8
kcf:
ATOM        41
            1   C1y C    12.8291  -16.1000
            2   O2x O    12.1345  -15.6963
            3   C1y C    12.8245  -16.9050
            4   C1y C    11.4352  -16.0975
            5   C1y C    12.1298  -17.3049
            6   O1a O    13.5208  -17.3057
            7   C1y C    11.4335  -16.9041
            8   C1b C    10.7405  -15.6936
            9   O1a O    12.1252  -18.1099
            10  O1a O    10.7341  -17.3054
            11  O1a O    10.7363  -14.8835
            12  C1y C    18.4300  -12.9036
            13  C1z C    17.7334  -13.2967
            14  C1y C    19.1265  -13.3174
            15  C1y C    18.4334  -12.1001
            16  C1y C    17.7231  -14.0967
            17  C1x C    17.0403  -12.8898
            18  C1a C    17.7265  -12.4932
            19  O2x O    19.8162  -12.9105
            20  C1x C    19.1093  -14.1139
            21  C1z C    19.8196  -12.1036
            22  C1a C    17.8644  -11.5346
            23  C1y C    17.0265  -14.4967
            24  C1x C    16.3403  -13.2863
            25  C1x C    20.5127  -12.5070
            26  O2x O    19.8196  -11.3001
            27  C1y C    16.3334  -14.0898
            28  C1x C    17.0265  -15.3001
            29  C1x C    21.2093  -12.1036
            30  C1x C    20.5162  -10.8967
            31  C1z C    15.6369  -14.4898
            32  C1x C    16.3265  -15.6967
            33  C1y C    21.2127  -11.3001
            34  C1y C    15.6334  -15.2932
            35  C1x C    14.9438  -14.0863
            36  C1a C    15.6300  -13.6829
            37  C1a C    21.9093  -10.8967
            38  C1x C    14.9438  -15.6932
            39  C1x C    14.2438  -14.4898
            40  C1y C    14.2438  -15.2932
            41  O2a O    13.5472  -15.6932
BOND        47
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1 #Up
            9     7  10 1 #Down
            10    8  11 1
            11    5   7 1
            12   12  13 1
            13   12  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   13  18 1 #Up
            18   14  19 1
            19   14  20 1
            20   15  21 1
            21   15  22 1 #Down
            22   16  23 1
            23   17  24 1
            24   21  25 1
            25   21  26 1 #Down
            26   23  27 1
            27   23  28 1
            28   25  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   29  33 1
            33   31  34 1
            34   31  35 1
            35   31  36 1 #Up
            36   33  37 1 #Up
            37   34  38 1
            38   35  39 1
            39   38  40 1
            40   40  41 1 #Up
            41   16  20 1
            42   19  21 1
            43   24  27 1
            44   30  33 1
            45   32  34 1
            46   39  40 1
            47    1  41 1 #Up


entry: C08887
name: --- - Avenacoside A
formula: C51H82O23
kcf:
ATOM        74
            1   C1y C    14.7125  -18.4917
            2   O2x O    14.7076  -19.3008
            3   C1y C    15.4125  -18.0938
            4   C1y C    15.4056  -19.7087
            5   C1y C    16.1088  -18.4987
            6   O1a O    15.4243  -17.2895
            7   C1y C    16.1045  -19.3156
            8   C1b C    15.3992  -20.5139
            9   O1a O    16.8153  -18.1051
            10  O1a O    16.8037  -19.7187
            11  C1y C    10.4958  -18.4334
            12  C1y C    10.4750  -19.2407
            13  O2x O     9.8105  -18.0040
            14  C1y C     9.7658  -19.6291
            15  O1a O    11.1751  -19.6739
            16  C1y C     9.1023  -18.3958
            17  C1y C     9.0804  -19.2084
            18  O1a O     9.7480  -20.4348
            19  C1a C     8.4138  -17.9768
            20  O1a O     8.3755  -19.5905
            21  C1y C    13.3292  -16.8584
            22  C1y C    13.3092  -17.6670
            23  O2x O    12.6392  -16.4435
            24  C1y C    12.6122  -18.0525
            25  O2a O    14.0039  -18.0808
            26  C1y C    11.9279  -16.8324
            27  C1y C    11.9192  -17.6357
            28  O1a O    12.5984  -18.8658
            29  C1b C    11.2361  -16.4124
            30  O2a O    11.2136  -18.0289
            31  O1a O    11.2508  -15.6126
            32  C1z C    20.3355  -12.8517
            33  C1y C    18.9316  -12.8517
            34  O2x O    20.3355  -13.6603
            35  O2x O    20.3355  -12.0465
            36  C1x C    21.7283  -12.8517
            37  C1y C    18.9316  -13.6603
            38  C1a C    18.3723  -12.2814
            39  C1y C    19.6332  -14.0629
            40  C1z C    21.0302  -11.6399
            41  C1x C    21.7283  -12.0465
            42  C1z C    18.2404  -14.0450
            43  C1x C    19.6160  -14.8647
            44  C1b C    21.4293  -10.9382
            45  C1a C    20.6241  -10.9382
            46  C1y C    18.2335  -14.8468
            47  C1x C    17.5457  -13.6425
            48  C1a C    18.2370  -13.2399
            49  O2a O    22.1385  -10.5246
            50  C1y C    17.5311  -15.2494
            51  C1x C    16.8434  -14.0270
            52  C1y C    22.1385   -9.7091
            53  C1y C    16.8331  -14.8364
            54  C1x C    17.5311  -16.0511
            55  O2x O    22.8366   -9.3065
            56  C1y C    21.4362   -9.3065
            57  C1z C    16.1384  -15.2425
            58  C2x C    16.8331  -16.4502
            59  C1y C    22.8366   -8.4981
            60  C1y C    21.4362   -8.5071
            61  O1a O    20.7380   -9.7091
            62  C2y C    16.1307  -16.0476
            63  C1x C    15.4505  -14.8364
            64  C1a C    16.1273  -14.4373
            65  C1y C    22.1385   -8.1062
            66  C1b C    23.5389   -8.0922
            67  O1a O    20.7380   -8.1062
            68  C1x C    15.4505  -16.4468
            69  C1x C    14.7379  -15.2425
            70  O1a O    22.1275   -7.3030
            71  O1a O    24.2516   -8.5071
            72  C1y C    14.7379  -16.0476
            73  O2a O    14.0467  -16.4502
            74  O1a O    14.6815  -20.9207
BOND        83
            1     3   6 1 #Down
            2     4   7 1
            3     4   8 1 #Up
            4     5   9 1 #Up
            5     7  10 1 #Down
            6    21  22 1
            7    21  23 1
            8    22  24 1
            9    22  25 1 #Down
            10   23  26 1
            11   24  27 1
            12   24  28 1 #Up
            13   26  29 1 #Up
            14   27  30 1 #Down
            15   29  31 1
            16   26  27 1
            17   11  12 1
            18   11  13 1
            19   12  14 1
            20   12  15 1 #Down
            21   13  16 1
            22   14  17 1
            23   14  18 1 #Down
            24   16  19 1 #Down
            25   17  20 1 #Up
            26   16  17 1
            27    5   7 1
            28    1   2 1
            29    1   3 1
            30    2   4 1
            31   32  33 1
            32   32  34 1
            33   32  35 1 #Down
            34   32  36 1 #Up
            35   33  37 1
            36   33  38 1 #Down
            37   34  39 1
            38   35  40 1
            39   36  41 1
            40   37  42 1
            41   39  43 1
            42   40  44 1 #Down
            43   40  45 1 #Up
            44   42  46 1
            45   42  47 1
            46   42  48 1 #Up
            47   44  49 1
            48   46  50 1
            49   47  51 1
            50   52  49 1 #Up
            51   50  53 1
            52   50  54 1
            53   52  55 1
            54   52  56 1
            55   53  57 1
            56   54  58 1
            57   55  59 1
            58   56  60 1
            59   56  61 1 #Down
            60   57  62 1
            61   57  63 1
            62   57  64 1 #Up
            63   59  65 1
            64   59  66 1 #Up
            65   60  67 1 #Up
            66   62  68 1
            67   63  69 1
            68   65  70 1 #Down
            69   66  71 1
            70   68  72 1
            71   72  73 1 #Up
            72   37  39 1
            73   40  41 1
            74   43  46 1
            75   51  53 1
            76   58  62 2
            77   60  65 1
            78   69  72 1
            79   21  73 1 #Up
            80   11  30 1 #Up
            81    1  25 1 #Up
            82    3   5 1
            83    8  74 1


entry: C08888
name: --- - Avenacoside B
formula: C57H92O28
kcf:
ATOM        85
            1   C1y C    22.1541  -10.2250
            2   O2x O    22.8522   -9.8244
            3   C1y C    21.4566   -9.8189
            4   C1y C    22.8567   -9.0205
            5   C1y C    21.4633   -9.0123
            6   O1a O    20.7632  -10.2222
            7   C1y C    22.1589   -8.6109
            8   C1b C    23.5545   -8.6163
            9   O1a O    20.7704   -8.6134
            10  O1a O    22.1664   -7.8086
            11  C1y C    14.6625  -18.8167
            12  C1y C    15.3611  -18.4075
            13  O2x O    14.6620  -19.6164
            14  C1y C    16.0593  -18.8154
            15  O1a O    15.3640  -17.5973
            16  C1y C    15.3632  -20.0183
            17  O2a O    16.7580  -18.4063
            18  C1y C    16.0554  -19.6173
            19  C1b C    15.3585  -20.8255
            20  C1y C    17.4726  -18.8209
            21  O1a O    16.7546  -20.0163
            22  O2x O    17.4992  -19.6299
            23  C1y C    18.1589  -18.3920
            24  C1y C    18.2126  -19.9966
            25  C1y C    18.8706  -18.7744
            26  O1a O    18.1277  -17.5689
            27  C1y C    18.8947  -19.5719
            28  C1b C    18.2410  -20.8085
            29  O1a O    19.5486  -18.3390
            30  O1a O    19.6052  -19.9548
            31  C1y C    10.4500  -18.7833
            32  C1y C    10.4612  -19.5944
            33  O2x O     9.7406  -18.3924
            34  C1y C     9.7659  -20.0041
            35  O1a O    11.1829  -19.9947
            36  C1y C     9.0462  -18.8145
            37  C1y C     9.0617  -19.6190
            38  O1a O     9.7790  -20.8181
            39  C1a C     8.3463  -18.4178
            40  O1a O     8.3662  -20.0288
            41  C1y C    13.2727  -17.1935
            42  C1y C    13.2619  -17.9999
            43  O2x O    12.5722  -16.7812
            44  C1y C    12.5580  -18.3886
            45  O2a O    13.9582  -18.4081
            46  C1y C    11.8742  -17.1711
            47  C1y C    11.8675  -17.9840
            48  O1a O    12.5502  -19.1967
            49  C1b C    11.1830  -16.7569
            50  O2a O    11.1656  -18.3762
            51  O1a O    11.1869  -15.9554
            52  C1y C    18.9601  -14.1865
            53  C1z C    18.2608  -14.5763
            54  C1y C    19.6554  -14.5908
            55  C1y C    18.9601  -13.3737
            56  C1y C    18.2531  -15.3815
            57  C1x C    17.5606  -14.1762
            58  C1a C    18.2531  -13.7677
            59  O2x O    20.3403  -14.1865
            60  C1x C    19.6375  -15.3960
            61  C1z C    20.3514  -13.3814
            62  C1a C    18.3914  -12.8098
            63  C1y C    17.5461  -15.7823
            64  C1x C    16.8612  -14.5617
            65  O2x O    20.3514  -12.5762
            66  C1x C    21.7502  -13.3814
            67  C1y C    16.8543  -15.3669
            68  C1x C    17.5461  -16.5841
            69  C1z C    21.0509  -12.1760
            70  C1x C    21.7502  -12.5762
            71  C1z C    16.1549  -15.7678
            72  C2x C    16.8467  -16.9807
            73  C1b C    21.4517  -11.4655
            74  C1a C    20.6431  -11.4655
            75  C2y C    16.1549  -16.5764
            76  C1x C    15.4630  -15.3669
            77  C1a C    16.1514  -14.9626
            78  C1x C    15.4630  -16.9807
            79  C1x C    14.7636  -15.7678
            80  C1y C    14.7636  -16.5764
            81  O2a O    14.0677  -16.9807
            82  O1a O    14.6458  -21.2338
            83  O1a O    17.5412  -21.2455
            84  O2a O    22.1583  -11.0458
            85  O1a O    24.2643   -9.0296
BOND        95
            1    16  19 1 #Up
            2    20  17 1 #Up
            3    18  21 1 #Down
            4    41  42 1
            5    41  43 1
            6    42  44 1
            7    42  45 1 #Down
            8    43  46 1
            9    44  47 1
            10   44  48 1 #Up
            11   46  49 1 #Up
            12   47  50 1 #Down
            13   49  51 1
            14   46  47 1
            15   20  22 1
            16   20  23 1
            17   22  24 1
            18   23  25 1
            19   23  26 1 #Down
            20   24  27 1
            21   24  28 1 #Up
            22   25  29 1 #Up
            23   27  30 1 #Down
            24   16  18 1
            25   25  27 1
            26    7  10 1 #Down
            27    5   7 1
            28    1   2 1
            29    1   3 1
            30    2   4 1
            31    3   5 1
            32    3   6 1 #Down
            33    4   7 1
            34    4   8 1 #Up
            35   31  32 1
            36   31  33 1
            37   32  34 1
            38   32  35 1 #Down
            39   33  36 1
            40   34  37 1
            41   34  38 1 #Down
            42   36  39 1 #Down
            43   37  40 1 #Up
            44   36  37 1
            45    5   9 1 #Up
            46   11  12 1
            47   11  13 1
            48   12  14 1
            49   52  53 1
            50   52  54 1
            51   52  55 1
            52   53  56 1
            53   53  57 1
            54   53  58 1 #Up
            55   54  59 1
            56   54  60 1
            57   55  61 1
            58   55  62 1 #Down
            59   56  63 1
            60   57  64 1
            61   61  65 1 #Down
            62   61  66 1 #Up
            63   63  67 1
            64   63  68 1
            65   65  69 1
            66   66  70 1
            67   67  71 1
            68   68  72 1
            69   69  73 1 #Down
            70   69  74 1 #Up
            71   71  75 1
            72   71  76 1
            73   71  77 1 #Up
            74   75  78 1
            75   76  79 1
            76   78  80 1
            77   80  81 1 #Up
            78   56  60 1
            79   59  61 1
            80   64  67 1
            81   69  70 1
            82   72  75 2
            83   79  80 1
            84   41  81 1 #Up
            85   31  50 1 #Up
            86   11  45 1 #Up
            87   12  15 1 #Down
            88   19  82 1
            89   13  16 1
            90   28  83 1
            91   14  17 1 #Up
            92   73  84 1
            93    1  84 1 #Up
            94   14  18 1
            95    8  85 1


entry: C08889
name: --- - Capsicoside A
formula: C63H106O35
kcf:
ATOM        98
            1   C1y C    11.7750  -15.6792
            2   O2x O    11.0613  -16.0806
            3   C1y C    12.4798  -16.0880
            4   C1y C    11.0600  -16.9019
            5   C1y C    12.4744  -16.9092
            6   O1a O    13.1859  -15.6831
            7   C1y C    11.7648  -17.3141
            8   C1b C    10.3608  -17.3068
            9   O1a O    13.1792  -17.3249
            10  O2a O    11.7670  -18.1278
            11  O1a O     9.6449  -16.8981
            12  C1y C    11.0491  -18.5369
            13  C1y C    11.0368  -19.3540
            14  O2x O    10.3518  -18.1129
            15  C1y C    10.3160  -19.7445
            16  O2a O    11.7306  -19.7773
            17  C1y C     9.6380  -18.4964
            18  O2a O    10.2961  -20.5691
            19  C1y C     9.6146  -19.3135
            20  C1y C    12.4395  -20.1826
            21  C1b C     8.9408  -18.0841
            22  C1y C     9.5713  -20.9596
            23  O1a O     8.8975  -19.7115
            24  O2x O    12.4264  -20.9997
            25  C1y C    13.1457  -19.7847
            26  O2x O     8.8775  -20.5363
            27  C1y C     9.5555  -21.7733
            28  C1y C    13.1244  -21.4196
            29  C1y C    13.8505  -20.2079
            30  O1a O    13.1580  -18.9634
            31  C1y C     8.1561  -20.9301
            32  C1y C     8.8442  -22.1654
            33  O1a O    10.2603  -22.2000
            34  C1y C    13.8305  -21.0182
            35  C1b C    13.1079  -22.2367
            36  O1a O    14.5643  -19.8100
            37  C1y C     8.1393  -21.7497
            38  C1b C     7.4589  -20.5034
            39  O1a O     8.8242  -22.9867
            40  O1a O    14.5353  -21.4339
            41  O1a O    12.3983  -22.6382
            42  O1a O     7.4290  -22.1401
            43  C1y C    12.4500  -12.8000
            44  C1y C    12.4672  -13.6157
            45  O2x O    11.7369  -12.3995
            46  C1y C    11.7720  -14.0386
            47  O1a O    13.1814  -14.0115
            48  C1y C    11.0352  -12.8263
            49  O2a O    11.7827  -14.8582
            50  C1y C    11.0504  -13.6385
            51  C1b C    10.3193  -12.4275
            52  O1a O    10.3534  -14.0584
            53  O1a O    10.3050  -11.6101
            54  C1z C    17.4142   -9.9605
            55  C1y C    17.4066  -10.7707
            56  C1y C    18.1249   -9.5651
            57  C1x C    16.7105   -9.5430
            58  C1a C    17.4066   -9.1434
            59  C1y C    16.6960  -11.1737
            60  C1x C    18.8217  -10.7928
            61  C1y C    18.8439   -9.9758
            62  C1y C    18.1249   -8.7439
            63  C1x C    15.9991   -9.9495
            64  C1y C    15.9957  -10.7596
            65  C1x C    16.6960  -11.9949
            66  O2x O    19.5365   -9.5651
            67  C1z C    19.5475   -8.7514
            68  C1a C    17.5497   -8.1779
            69  C1z C    15.2919  -11.1668
            70  C1x C    15.9957  -12.3980
            71  C1b C    20.2513   -8.3426
            72  O1a O    19.5365   -7.9456
            73  C1y C    15.2919  -11.9839
            74  C1x C    14.5882  -10.7596
            75  C1a C    15.2809  -10.3490
            76  C1b C    20.9474   -8.7439
            77  C1x C    14.5882  -12.3945
            78  C1y C    13.8810  -11.1668
            79  C1c C    21.6512   -8.3411
            80  C1y C    13.8810  -11.9839
            81  O1a O    13.1697  -10.7561
            82  C1b C    22.3549   -8.7404
            83  C1a C    21.6512   -7.5263
            84  O2a O    13.1697  -12.3945
            85  O2a O    23.0621   -8.3272
            86  C1y C    23.7734   -8.7293
            87  O2x O    23.7624   -9.5430
            88  C1y C    24.4848   -8.3376
            89  C1y C    24.4592   -9.9570
            90  C1y C    25.1809   -8.7549
            91  O1a O    24.4958   -7.5263
            92  C1y C    25.1664   -9.5574
            93  C1b C    24.4405  -10.7741
            94  O1a O    25.8846   -8.3655
            95  O1a O    25.8667   -9.9792
            96  O1a O    23.7168  -11.1701
            97  O1a O     8.9494  -17.2591
            98  O1a O     7.4800  -19.6787
BOND        108
            1    44  47 1 #Down
            2    45  48 1
            3    46  49 1 #Up
            4    46  50 1
            5    48  51 1 #Up
            6    50  52 1 #Down
            7    51  53 1
            8    48  50 1
            9    12  10 1 #Up
            10   12  13 1
            11   12  14 1
            12   13  15 1
            13   13  16 1 #Down
            14   14  17 1
            15   15  18 1 #Up
            16   15  19 1
            17   20  16 1 #Up
            18   17  21 1 #Up
            19   22  18 1 #Up
            20   19  23 1 #Down
            21   20  24 1
            22   20  25 1
            23   22  26 1
            24   22  27 1
            25   24  28 1
            26   25  29 1
            27   25  30 1 #Down
            28   26  31 1
            29   27  32 1
            30   27  33 1 #Down
            31   28  34 1
            32   28  35 1 #Up
            33   29  36 1 #Up
            34   31  37 1
            35   31  38 1 #Up
            36   32  39 1 #Up
            37   34  40 1 #Down
            38   35  41 1
            39   37  42 1 #Down
            40    5   7 1
            41   17  19 1
            42   29  34 1
            43   32  37 1
            44    1   2 1
            45    1   3 1
            46    2   4 1
            47    3   5 1
            48    3   6 1 #Down
            49    4   7 1
            50    4   8 1 #Up
            51    5   9 1 #Up
            52    7  10 1 #Up
            53    8  11 1
            54   43  44 1
            55   54  55 1
            56   54  56 1
            57   54  57 1
            58   54  58 1 #Up
            59   55  59 1
            60   55  60 1
            61   56  61 1
            62   56  62 1
            63   57  63 1
            64   59  64 1
            65   59  65 1
            66   61  66 1
            67   62  67 1
            68   62  68 1 #Down
            69   64  69 1
            70   65  70 1
            71   67  71 1
            72   67  72 1 #Down
            73   69  73 1
            74   69  74 1
            75   69  75 1 #Up
            76   71  76 1
            77   73  77 1
            78   74  78 1
            79   76  79 1
            80   77  80 1
            81   78  81 1 #Down
            82   79  82 1
            83   79  83 1 #Up
            84   80  84 1 #Up
            85   82  85 1
            86   86  85 1 #Up
            87   86  87 1
            88   86  88 1
            89   87  89 1
            90   88  90 1
            91   88  91 1 #Down
            92   89  92 1
            93   89  93 1 #Up
            94   90  94 1 #Up
            95   92  95 1 #Down
            96   60  61 1
            97   63  64 1
            98   66  67 1
            99   70  73 1
            100  78  80 1
            101  90  92 1
            102  43  84 1 #Up
            103   1  49 1 #Up
            104  93  96 1
            105  43  45 1
            106  21  97 1
            107  44  46 1
            108  38  98 1


entry: C08890
name: --- - Convallagenin A
formula: C27H44O5
kcf:
ATOM        32
            1   C1z C     2.2828    1.3759
            2   C1y C     0.9103    1.3759
            3   O2x O     2.2828    0.5759
            4   C1x C     2.9724    0.9759
            5   O2x O     2.2828    2.1690
            6   C1y C     0.9069    0.5828
            7   C1a C     0.3448    1.9414
            8   C1y C     1.6000    0.1759
            9   C1x C     3.6586    1.3759
            10  C1x C     2.9724    2.5690
            11  C1z C     0.2172    0.1931
            12  C1x C     1.5793   -0.6172
            13  C1y C     3.6586    2.1690
            14  C1y C     0.2069   -0.6000
            15  C1x C    -0.4690    0.5931
            16  C1a C     0.2138    0.9897
            17  C1a C     4.3517    2.5690
            18  C1y C    -0.4793   -0.9931
            19  C1x C    -1.1621    0.2034
            20  C1y C    -1.1690   -0.5931
            21  C1x C    -0.4793   -1.7897
            22  C1z C    -1.8586   -0.9862
            23  C1x C    -1.1759   -2.1862
            24  C1z C    -1.8621   -1.7828
            25  C1y C    -2.5448   -0.5897
            26  C1a C    -1.8655   -0.1897
            27  C1x C    -2.5448   -2.1828
            28  O1a O    -1.8724   -2.5793
            29  C1x C    -3.2379   -0.9862
            30  O1a O    -2.5552    0.2103
            31  C1y C    -3.2379   -1.7828
            32  O1a O    -3.9276   -2.1828
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   13  17 1 #Up
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   24  27 1
            27   24  28 1 #Up
            28   25  29 1
            29   25  30 1 #Up
            30   27  31 1
            31   31  32 1 #Up
            32    6   8 1
            33   10  13 1
            34   12  14 1
            35   19  20 1
            36   23  24 1
            37   29  31 1


entry: C08891
name: --- - Convallamarogenin
formula: C27H42O4
kcf:
ATOM        31
            1   C1y C     0.8483    0.4966
            2   C1z C     0.1586    0.1069
            3   C1y C     1.5379    0.0931
            4   C1y C     0.8517    1.2931
            5   C1y C     0.1483   -0.6828
            6   C1x C    -0.5310    0.5138
            7   C1a C     0.1517    0.9069
            8   O2x O     2.2207    0.4931
            9   C1x C     1.5172   -0.7000
            10  C1z C     2.2241    1.2897
            11  C1a C     0.2862    1.8586
            12  C1y C    -0.5414   -1.0759
            13  C1x C    -1.2207    0.1207
            14  C1x C     2.9103    0.8966
            15  O2x O     2.2241    2.0897
            16  C1y C    -1.2276   -0.6759
            17  C1x C    -0.5414   -1.8724
            18  C1x C     3.6000    1.2897
            19  C1x C     2.9138    2.4828
            20  C1z C    -1.9207   -1.0724
            21  C1x C    -1.2345   -2.2655
            22  C2y C     3.6000    2.0862
            23  C1y C    -1.9241   -1.8690
            24  C1y C    -2.6069   -0.6724
            25  C1a C    -1.9276   -0.2724
            26  C2a C     4.2897    2.4828
            27  C1x C    -2.6069   -2.2621
            28  C1x C    -3.2966   -1.0724
            29  O1a O    -2.6138    0.1241
            30  C1y C    -3.2966   -1.8690
            31  O1a O    -3.9862   -2.2621
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1 #Down
            11    5  12 1
            12    6  13 1
            13   10  14 1
            14   10  15 1 #Down
            15   12  16 1
            16   12  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 1
            22   20  23 1
            23   20  24 1
            24   20  25 1 #Up
            25   22  26 2
            26   23  27 1
            27   24  28 1
            28   24  29 1 #Up
            29   27  30 1
            30   30  31 1 #Up
            31    5   9 1
            32    8  10 1
            33   13  16 1
            34   19  22 1
            35   21  23 1
            36   28  30 1


entry: C08892
name: --- - Convallamaroside
formula: C57H94O27
kcf:
ATOM        84
            1   C1y C    14.2042  -11.6541
            2   C1y C    13.5019  -11.2442
            3   O2x O    14.9100  -11.2511
            4   O2a O    12.7920  -11.6464
            5   C1y C    13.5053  -10.4320
            6   C1y C    14.9100  -10.4395
            7   C1y C    12.0973  -11.2296
            8   C1y C    14.2076  -10.0338
            9   O1a O    12.8031  -10.0227
            10  C1a C    15.6233  -10.0338
            11  C1y C    11.3916  -11.6286
            12  O2x O    12.1084  -10.4140
            13  O1a O    14.2153   -9.2182
            14  C1y C    10.6858  -11.2186
            15  O1a O    11.3805  -12.4476
            16  C1y C    11.4061  -10.0006
            17  C1y C    10.6968  -10.4029
            18  O1a O     9.9800  -11.6175
            19  C1a C    11.4061   -9.1891
            20  O1a O    10.0022   -9.9937
            21  C1y C    12.0900  -15.3289
            22  C1y C    12.0972  -16.1433
            23  O2x O    11.3806  -14.9272
            24  C1y C    11.4002  -16.5539
            25  O1a O    12.8053  -16.5444
            26  C1y C    10.6893  -15.3395
            27  C1y C    10.6912  -16.1546
            28  O1a O    11.4045  -17.3665
            29  C1a C     9.9812  -14.9424
            30  O2a O     9.9843  -16.5683
            31  C1y C     9.2675  -16.9800
            32  O2x O     8.5741  -16.5579
            33  C1y C     9.2539  -17.7860
            34  C1y C     7.8672  -16.9458
            35  C1y C     8.5383  -18.1778
            36  O1a O     9.9520  -18.2110
            37  C1y C     7.8385  -17.7558
            38  C1b C     7.1640  -16.5268
            39  O1a O     8.5210  -18.9984
            40  O1a O     7.1295  -18.1514
            41  C1z C    17.0377  -12.4950
            42  C1y C    17.0232  -13.3107
            43  C1y C    17.7400  -12.1038
            44  C1x C    16.3389  -12.0775
            45  C1a C    17.0266  -11.6904
            46  C1y C    16.3243  -13.7088
            47  C1x C    18.4312  -13.3252
            48  C1y C    18.4458  -12.5171
            49  C1y C    17.7434  -11.2882
            50  C1x C    15.6338  -12.4916
            51  C1y C    15.6262  -13.2997
            52  C1x C    16.3243  -14.5210
            53  O2x O    19.1481  -12.1038
            54  C1z C    19.1481  -11.2958
            55  C1a C    17.1691  -10.7102
            56  C1z C    14.9205  -13.6977
            57  C1x C    15.6152  -14.9234
            58  C1b C    19.8469  -10.8817
            59  O1a O    19.1481  -10.4801
            60  C1y C    14.2217  -13.2962
            61  C1y C    14.9205  -14.5100
            62  C1a C    14.9205  -12.8898
            63  C1b C    20.5527  -11.2958
            64  O2a O    14.2106  -12.4840
            65  C1x C    13.5158  -13.6977
            66  C1x C    14.2217  -14.9199
            67  C2c C    21.2473  -10.8817
            68  C1y C    13.5158  -14.5100
            69  C1b C    21.9531  -11.2958
            70  C2a C    21.2473  -10.0661
            71  O2a O    12.8136  -14.9199
            72  O2a O    22.6630  -10.8782
            73  C1y C    23.3764  -11.2882
            74  O2x O    23.3542  -12.0886
            75  C1y C    24.0856  -10.9072
            76  C1y C    24.0386  -12.5240
            77  C1y C    24.7809  -11.3282
            78  O1a O    24.1187  -10.0958
            79  C1y C    24.7554  -12.1404
            80  C1b C    24.0165  -13.3363
            81  O1a O    25.4977  -10.9439
            82  O1a O    25.4424  -12.5718
            83  O1a O     7.1584  -15.7000
            84  O1a O    23.2910  -13.7293
BOND        93
            1     2   5 1
            2     3   6 1
            3     7   4 1 #Up
            4     5   8 1
            5     5   9 1 #Up
            6     6  10 1 #Up
            7     7  11 1
            8     7  12 1
            9     8  13 1 #Down
            10   11  14 1
            11   11  15 1 #Down
            12   12  16 1
            13   14  17 1
            14   14  18 1 #Down
            15   16  19 1 #Down
            16   17  20 1 #Up
            17    6   8 1
            18   21  22 1
            19   21  23 1
            20   22  24 1
            21   22  25 1 #Down
            22   23  26 1
            23   24  27 1
            24   24  28 1 #Down
            25   26  29 1 #Down
            26   27  30 1 #Up
            27   31  30 1 #Up
            28   31  32 1
            29   31  33 1
            30   32  34 1
            31   33  35 1
            32   33  36 1 #Down
            33   34  37 1
            34   34  38 1 #Up
            35   35  39 1 #Up
            36   37  40 1 #Down
            37   26  27 1
            38   35  37 1
            39   16  17 1
            40    1   2 1
            41    1   3 1
            42    2   4 1 #Down
            43   41  42 1
            44   41  43 1
            45   41  44 1
            46   41  45 1 #Up
            47   42  46 1
            48   42  47 1
            49   43  48 1
            50   43  49 1
            51   44  50 1
            52   46  51 1
            53   46  52 1
            54   48  53 1
            55   49  54 1
            56   49  55 1 #Down
            57   51  56 1
            58   52  57 1
            59   54  58 1
            60   54  59 1 #Down
            61   56  60 1
            62   56  61 1
            63   56  62 1 #Up
            64   58  63 1
            65   60  64 1 #Up
            66   60  65 1
            67   61  66 1
            68   63  67 1
            69   65  68 1
            70   67  69 1
            71   67  70 2
            72   68  71 1 #Up
            73   69  72 1
            74   73  72 1 #Up
            75   73  74 1
            76   73  75 1
            77   74  76 1
            78   75  77 1
            79   75  78 1 #Down
            80   76  79 1
            81   76  80 1 #Up
            82   77  81 1 #Up
            83   79  82 1 #Down
            84   47  48 1
            85   50  51 1
            86   53  54 1
            87   57  61 1
            88   66  68 1
            89   77  79 1
            90   21  71 1 #Up
            91    1  64 1 #Up
            92   38  83 1
            93   80  84 1


entry: C08893
name: --- - Convallasaponin A
formula: C32H52O9
kcf:
ATOM        41
            1   C1y C     1.5750  -14.4875
            2   C1y C     1.5761  -15.2924
            3   O2x O     0.8728  -14.0899
            4   C1y C     0.8826  -15.7003
            5   O1a O     2.2735  -15.6913
            6   C1x C     0.1763  -14.4961
            7   C1y C     0.1821  -15.2997
            8   O1a O     0.8836  -16.5053
            9   O1a O    -0.5144  -15.7059
            10  C1z C     6.4780  -11.6829
            11  C1y C     6.4711  -12.4863
            12  C1y C     7.1711  -11.2794
            13  C1x C     5.7849  -11.2725
            14  C1a C     6.4711  -10.8794
            15  C1y C     5.7711  -12.8829
            16  C1x C     7.8608  -12.4932
            17  C1y C     7.8642  -11.6898
            18  C1y C     7.1711  -10.4760
            19  C1x C     5.0849  -11.6725
            20  C1y C     5.0780  -12.4725
            21  C1x C     5.7711  -13.6829
            22  O2x O     8.5573  -11.2829
            23  C1z C     8.5539  -10.4794
            24  C1a C     6.6022   -9.9070
            25  C1z C     4.3849  -12.8725
            26  C1x C     5.0711  -14.0794
            27  C1x C     9.2504  -10.8829
            28  O2x O     8.5573   -9.6760
            29  C1z C     4.3815  -13.6794
            30  C1y C     3.6884  -12.4691
            31  C1a C     4.3780  -12.0656
            32  C1x C     9.9470  -10.4794
            33  C1x C     9.2539   -9.2725
            34  C1x C     3.6884  -14.0794
            35  O1a O     4.3711  -14.4794
            36  C1x C     2.9884  -12.8725
            37  O1a O     3.6884  -11.6656
            38  C1y C     9.9504   -9.6760
            39  C1y C     2.9884  -13.6794
            40  C1a C    10.6470   -9.2725
            41  O2a O     2.2918  -14.0794
BOND        47
            1     4   8 1 #Up
            2     7   9 1 #Up
            3     6   7 1
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     2   5 1 #Down
            8     3   6 1
            9     4   7 1
            10   10  11 1
            11   10  12 1
            12   10  13 1
            13   10  14 1 #Up
            14   11  15 1
            15   11  16 1
            16   12  17 1
            17   12  18 1
            18   13  19 1
            19   15  20 1
            20   15  21 1
            21   17  22 1
            22   18  23 1
            23   18  24 1 #Down
            24   20  25 1
            25   21  26 1
            26   23  27 1
            27   23  28 1 #Down
            28   25  29 1
            29   25  30 1
            30   25  31 1 #Up
            31   27  32 1
            32   28  33 1
            33   29  34 1
            34   29  35 1 #Up
            35   30  36 1
            36   30  37 1 #Up
            37   32  38 1
            38   34  39 1
            39   38  40 1 #Up
            40   39  41 1 #Up
            41   16  17 1
            42   19  20 1
            43   22  23 1
            44   26  29 1
            45   33  38 1
            46   36  39 1
            47    1  41 1 #Up


entry: C08894
name: --- - Deltonin
formula: C45H72O17
kcf:
ATOM        62
            1   C1y C     3.6292  -14.7333
            2   C1y C     4.3332  -14.3303
            3   O2x O     3.6242  -15.5429
            4   C1y C     5.0275  -14.7356
            5   O1a O     4.3300  -13.5205
            6   C1y C     4.3233  -15.9495
            7   C1y C     5.0213  -15.5499
            8   O1a O     5.7303  -14.3372
            9   C1a C     4.3166  -16.7562
            10  O1a O     5.7204  -15.9565
            11  C1y C    -0.5958  -14.7875
            12  O2x O    -1.2885  -14.3730
            13  C1y C    -0.6094  -15.6018
            14  C1y C    -2.0012  -14.7683
            15  C1y C    -1.3159  -15.9939
            16  O1a O     0.0959  -16.0253
            17  C1y C    -2.0132  -15.5779
            18  C1b C    -2.6955  -14.3507
            19  O1a O    -1.3295  -16.8004
            20  O1a O    -2.7197  -15.9699
            21  O1a O    -2.6869  -13.5343
            22  C1y C     2.1917  -13.1208
            23  C1y C     2.2091  -13.9316
            24  O2x O     1.4906  -12.7353
            25  C1y C     1.5272  -14.3536
            26  O2a O     2.9199  -14.3225
            27  C1y C     0.7989  -13.1519
            28  C1y C     0.8165  -13.9626
            29  O1a O     1.5346  -15.1595
            30  C1b C     0.0881  -12.7609
            31  O2a O     0.1228  -14.3829
            32  O1a O     0.0689  -11.9532
            33  C1z C     7.2052  -10.4999
            34  C1y C     7.9053  -10.1081
            35  C1y C     7.1872  -11.3042
            36  C1x C     6.5043  -10.0908
            37  C1a C     7.1906   -9.6887
            38  C1y C     8.6089  -10.5171
            39  C1y C     7.9087   -9.2969
            40  C1y C     6.4905  -11.7064
            41  C1x C     8.5883  -11.3249
            42  C1x C     5.8008  -10.4861
            43  O2x O     9.2987  -10.1115
            44  C1z C     9.3022   -9.2969
            45  C1a C     7.3362   -8.7250
            46  C1y C     5.7939  -11.2973
            47  C1x C     6.4905  -12.5176
            48  C1x C    10.0023   -9.6990
            49  O2x O     9.3022   -8.4891
            50  C1z C     5.0936  -11.6995
            51  C2x C     5.7835  -12.9086
            52  C1x C    10.7025   -9.2969
            53  C1x C    10.0023   -8.0835
            54  C2y C     5.0936  -12.4996
            55  C1x C     4.3935  -11.2939
            56  C1a C     5.0868  -10.8883
            57  C1y C    10.7025   -8.4926
            58  C1x C     4.3935  -12.9086
            59  C1x C     3.6934  -11.6995
            60  C1a C    11.4026   -8.0835
            61  C1y C     3.6934  -12.4996
            62  O2a O     2.9932  -12.9086
BOND        70
            1    12  14 1
            2    13  15 1
            3    13  16 1 #Down
            4    14  17 1
            5    14  18 1 #Up
            6    15  19 1 #Up
            7    17  20 1 #Down
            8    18  21 1
            9    15  17 1
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    2   5 1 #Down
            14    3   6 1
            15    4   7 1
            16    4   8 1 #Down
            17    6   9 1 #Down
            18    7  10 1 #Up
            19    6   7 1
            20   22  23 1
            21   22  24 1
            22   23  25 1
            23   23  26 1 #Down
            24   24  27 1
            25   25  28 1
            26   25  29 1 #Up
            27   27  30 1 #Up
            28   28  31 1 #Down
            29   30  32 1
            30   27  28 1
            31   11  12 1
            32   11  13 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   33  37 1 #Up
            37   34  38 1
            38   34  39 1
            39   35  40 1
            40   35  41 1
            41   36  42 1
            42   38  43 1
            43   39  44 1
            44   39  45 1 #Down
            45   40  46 1
            46   40  47 1
            47   44  48 1
            48   44  49 1 #Down
            49   46  50 1
            50   47  51 1
            51   48  52 1
            52   49  53 1
            53   50  54 1
            54   50  55 1
            55   50  56 1 #Up
            56   52  57 1
            57   54  58 1
            58   55  59 1
            59   57  60 1 #Down
            60   58  61 1
            61   61  62 1 #Up
            62   38  41 1
            63   42  46 1
            64   43  44 1
            65   51  54 2
            66   53  57 1
            67   59  61 1
            68   22  62 1 #Up
            69   11  31 1 #Up
            70    1  26 1 #Up


entry: C08895
name: --- - Deltoside
formula: C51H84O23
kcf:
ATOM        74
            1   C1y C    23.4425  -12.0933
            2   O2x O    23.4425  -12.9023
            3   C1y C    24.1505  -11.6872
            4   C1y C    24.1402  -13.3161
            5   C1y C    24.8593  -12.0968
            6   O1a O    24.1505  -10.8748
            7   C1y C    24.8517  -12.9133
            8   C1b C    24.1291  -14.1249
            9   O1a O    25.5563  -11.6941
            10  O1a O    25.5494  -13.3195
            11  C1y C    13.5375  -17.7875
            12  C1y C    14.2343  -17.3700
            13  O2x O    13.5562  -18.6025
            14  C1y C    14.9482  -17.7646
            15  O1a O    14.2188  -16.5539
            16  C1y C    14.2727  -18.9946
            17  C1y C    14.9592  -18.5665
            18  O1a O    15.6447  -17.3384
            19  C1a C    14.2864  -19.8078
            20  O1a O    15.6819  -18.9677
            21  C1y C     9.2041  -17.5500
            22  O2x O     8.4947  -17.1374
            23  C1y C     9.1985  -18.3712
            24  C1y C     7.7911  -17.5436
            25  C1y C     8.4847  -18.7664
            26  O1a O     9.9112  -18.7898
            27  C1y C     7.7818  -18.3582
            28  C1b C     7.0864  -17.1324
            29  O1a O     8.4831  -19.5806
            30  O1a O     7.0727  -18.7547
            31  O1a O     7.0903  -16.3082
            32  C1y C    12.1375  -16.1459
            33  C1y C    12.1249  -16.9608
            34  O2x O    11.4380  -15.7327
            35  C1y C    11.4229  -17.3604
            36  O2a O    12.8261  -17.3791
            37  C1y C    10.7274  -16.1320
            38  C1y C    10.7251  -16.9443
            39  O1a O    11.4034  -18.1802
            40  C1b C    10.0315  -15.7129
            41  O2a O    10.0080  -17.3398
            42  O1a O    10.0387  -14.8988
            43  C1z C    17.0909  -13.3147
            44  C1y C    17.0806  -14.1312
            45  C1y C    17.7920  -12.9265
            46  C1x C    16.3863  -12.9051
            47  C1a C    17.0841  -12.5024
            48  C1y C    16.3794  -14.5339
            49  C1x C    18.4863  -14.1416
            50  C1y C    18.5009  -13.3326
            51  C1y C    17.8031  -12.1065
            52  C1x C    15.6817  -13.3043
            53  C1y C    15.6782  -14.1167
            54  C1x C    16.3794  -15.3463
            55  O2x O    19.1978  -12.9265
            56  C1z C    19.1978  -12.1141
            57  C1a C    17.2243  -11.5276
            58  C1z C    14.9661  -14.5194
            59  C2x C    15.6707  -15.7414
            60  C1b C    19.8989  -11.7003
            61  O1a O    19.1944  -11.2976
            62  C2y C    14.9661  -15.3318
            63  C1x C    14.2649  -14.1133
            64  C1a C    14.9626  -13.7106
            65  C1b C    20.6036  -12.1065
            66  C1x C    14.2649  -15.7414
            67  C1x C    13.5603  -14.5194
            68  C1c C    21.3088  -11.6969
            69  C1y C    13.5603  -15.3318
            70  C1b C    22.0135  -12.0996
            71  C1a C    21.3088  -10.8845
            72  O2a O    12.8557  -15.7414
            73  O2a O    22.7262  -11.6839
            74  O1a O    23.4090  -14.5275
BOND        82
            1     2   4 1
            2     3   5 1
            3     3   6 1 #Down
            4     4   7 1
            5     4   8 1 #Up
            6     5   9 1 #Up
            7     7  10 1 #Down
            8     5   7 1
            9    12  14 1
            10   12  15 1 #Down
            11   13  16 1
            12   14  17 1
            13   14  18 1 #Down
            14   16  19 1 #Down
            15   17  20 1 #Up
            16   16  17 1
            17   32  33 1
            18   32  34 1
            19   33  35 1
            20   33  36 1 #Down
            21   34  37 1
            22   35  38 1
            23   35  39 1 #Up
            24   37  40 1 #Up
            25   38  41 1 #Down
            26   40  42 1
            27   37  38 1
            28   21  22 1
            29   21  23 1
            30   22  24 1
            31   23  25 1
            32   23  26 1 #Down
            33   24  27 1
            34   24  28 1 #Up
            35   25  29 1 #Up
            36   27  30 1 #Down
            37   28  31 1
            38   25  27 1
            39   11  12 1
            40   11  13 1
            41   43  44 1
            42   43  45 1
            43   43  46 1
            44   43  47 1 #Up
            45   44  48 1
            46   44  49 1
            47   45  50 1
            48   45  51 1
            49   46  52 1
            50   48  53 1
            51   48  54 1
            52   50  55 1
            53   51  56 1
            54   51  57 1 #Down
            55   53  58 1
            56   54  59 1
            57   56  60 1
            58   56  61 1 #Down
            59   58  62 1
            60   58  63 1
            61   58  64 1 #Up
            62   60  65 1
            63   62  66 1
            64   63  67 1
            65   65  68 1
            66   66  69 1
            67   68  70 1
            68   68  71 1 #Up
            69   69  72 1 #Up
            70   49  50 1
            71   52  53 1
            72   55  56 1
            73   59  62 2
            74   67  69 1
            75   32  72 1 #Up
            76   21  41 1 #Up
            77   11  36 1 #Up
            78    1   2 1
            79   70  73 1
            80    1  73 1 #Up
            81    1   3 1
            82    8  74 1


entry: C08896
name: --- - Digitogenin
formula: C27H44O5
kcf:
ATOM        32
            1   C1z C     0.1345    0.1724
            2   C1y C     0.8276    0.5621
            3   C1y C     0.1241   -0.6172
            4   C1x C    -0.5517    0.5759
            5   C1a C     0.1310    0.9690
            6   C1y C     1.5172    0.1552
            7   C1y C     0.8276    1.3586
            8   C1y C    -0.5621   -1.0138
            9   C1y C     1.4966   -0.6345
            10  C1x C    -1.2448    0.1862
            11  O2x O     2.2000    0.5586
            12  C1z C     2.2000    1.3586
            13  C1a C     0.2621    1.9207
            14  C1y C    -1.2517   -0.6138
            15  C1x C    -0.5621   -1.8069
            16  O1a O     2.0552   -1.2000
            17  C1x C     2.8897    0.9586
            18  O2x O     2.2034    2.1517
            19  C1z C    -1.9414   -1.0069
            20  C1x C    -1.2586   -2.2034
            21  C1x C     3.5759    1.3552
            22  C1x C     2.8897    2.5483
            23  C1y C    -1.9448   -1.8000
            24  C1x C    -2.6276   -0.6103
            25  C1a C    -1.9483   -0.2103
            26  C1y C     3.5793    2.1483
            27  C1x C    -2.6276   -2.2000
            28  C1y C    -3.3207   -1.0069
            29  C1a C     4.2690    2.5483
            30  C1y C    -3.3207   -1.8000
            31  O1a O    -4.0103   -0.6103
            32  O1a O    -4.0103   -2.2000
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1 #Down
            13    8  14 1
            14    8  15 1
            15    9  16 1 #Up
            16   12  17 1
            17   12  18 1 #Down
            18   14  19 1
            19   15  20 1
            20   17  21 1
            21   18  22 1
            22   19  23 1
            23   19  24 1
            24   19  25 1 #Up
            25   21  26 1
            26   23  27 1
            27   24  28 1
            28   26  29 1 #Down
            29   27  30 1
            30   28  31 1 #Down
            31   30  32 1 #Up
            32    6   9 1
            33   10  14 1
            34   11  12 1
            35   20  23 1
            36   22  26 1
            37   28  30 1


entry: C08897
name: --- - Dioscin
formula: C45H72O16
kcf:
ATOM        61
            1   C1y C    -0.5700  -14.8596
            2   C1y C    -0.5727  -15.6728
            3   O2x O    -1.2749  -14.4572
            4   C1y C    -1.2732  -16.0753
            5   O1a O     0.1422  -16.0854
            6   C1y C    -1.9823  -14.8548
            7   C1y C    -1.9734  -15.6740
            8   O1a O    -1.2741  -16.8915
            9   C1a C    -2.6825  -14.4536
            10  O1a O    -2.6837  -16.0735
            11  C1y C     3.6750  -14.8625
            12  C1y C     4.3757  -14.4605
            13  O2x O     3.6715  -15.6776
            14  C1y C     5.0819  -14.8687
            15  O1a O     4.3835  -13.6461
            16  C1y C     4.3699  -16.0861
            17  C1y C     5.0753  -15.6855
            18  O1a O     5.7842  -14.4698
            19  C1a C     4.3638  -16.9106
            20  O1a O     5.7750  -16.0893
            21  C1y C     2.2625  -13.2375
            22  C1y C     2.2613  -14.0437
            23  O2x O     1.5574  -12.8296
            24  C1y C     1.5600  -14.4536
            25  O2a O     2.9665  -14.4516
            26  C1y C     0.8599  -13.2330
            27  C1y C     0.8549  -14.0457
            28  O1a O     1.5587  -15.2598
            29  C1b C     0.1527  -12.8286
            30  O2a O     0.1540  -14.4551
            31  O1a O     0.1530  -12.0171
            32  C1z C     7.1909  -10.4163
            33  C1y C     7.9022  -10.0176
            34  C1y C     7.1806  -11.2206
            35  C1x C     6.4977  -10.0038
            36  C1a C     7.1841   -9.5982
            37  C1y C     8.6057  -10.4266
            38  C1y C     7.9056   -9.2064
            39  C1y C     6.4839  -11.6193
            40  C1x C     8.5850  -11.2378
            41  C1x C     5.7941  -10.4025
            42  O2x O     9.2956  -10.0210
            43  C1z C     9.2990   -9.2064
            44  C1a C     7.3262   -8.6345
            45  C1y C     5.7872  -11.2137
            46  C1x C     6.4839  -12.4305
            47  C1x C     9.9991   -9.6154
            48  O2x O     9.2990   -8.4027
            49  C1z C     5.0905  -11.6124
            50  C2x C     5.7837  -12.8327
            51  C1x C    10.6958   -9.2064
            52  C1x C    10.0026   -8.0005
            53  C2y C     5.0836  -12.4270
            54  C1x C     4.3835  -11.2102
            55  C1a C     5.0802  -10.8046
            56  C1y C    10.7027   -8.4061
            57  C1x C     4.3835  -12.8292
            58  C1x C     3.6833  -11.6124
            59  C1a C    11.4029   -8.0005
            60  C1y C     3.6833  -12.4270
            61  O2a O     2.9832  -12.8292
BOND        69
            1    12  15 1 #Down
            2    13  16 1
            3    14  17 1
            4    14  18 1 #Down
            5    16  19 1 #Down
            6    17  20 1 #Up
            7    16  17 1
            8     6   7 1
            9     1   2 1
            10    1   3 1
            11    2   4 1
            12    2   5 1 #Down
            13    3   6 1
            14    4   7 1
            15    4   8 1 #Down
            16    6   9 1 #Down
            17    7  10 1 #Up
            18   21  22 1
            19   21  23 1
            20   22  24 1
            21   22  25 1 #Down
            22   23  26 1
            23   24  27 1
            24   24  28 1 #Up
            25   26  29 1 #Up
            26   27  30 1 #Down
            27   29  31 1
            28   26  27 1
            29   11  12 1
            30   11  13 1
            31   12  14 1
            32   32  33 1
            33   32  34 1
            34   32  35 1
            35   32  36 1 #Up
            36   33  37 1
            37   33  38 1
            38   34  39 1
            39   34  40 1
            40   35  41 1
            41   37  42 1
            42   38  43 1
            43   38  44 1 #Down
            44   39  45 1
            45   39  46 1
            46   43  47 1
            47   43  48 1 #Down
            48   45  49 1
            49   46  50 1
            50   47  51 1
            51   48  52 1
            52   49  53 1
            53   49  54 1
            54   49  55 1 #Up
            55   51  56 1
            56   53  57 1
            57   54  58 1
            58   56  59 1 #Down
            59   57  60 1
            60   60  61 1 #Up
            61   37  40 1
            62   41  45 1
            63   42  43 1
            64   50  53 2
            65   52  56 1
            66   58  60 1
            67   21  61 1 #Up
            68   11  25 1 #Up
            69    1  30 1 #Up


entry: C08898
name: --- - Diosgenin
formula: C27H42O3
kcf:
ATOM        30
            1   C1z C     2.1345    1.2966
            2   C1y C     0.7621    1.2966
            3   O2x O     2.1345    0.4966
            4   C1x C     2.8241    0.9000
            5   O2x O     2.1379    2.0931
            6   C1y C     0.7621    0.5000
            7   C1a C     0.1966    1.8655
            8   C1y C     1.4517    0.1000
            9   C1x C     3.5103    1.2931
            10  C1x C     2.8241    2.4862
            11  C1z C     0.0690    0.1103
            12  C1x C     1.4310   -0.6966
            13  C1y C     3.5138    2.0931
            14  C1y C     0.0621   -0.6793
            15  C1x C    -0.6172    0.5172
            16  C1a C     0.0655    0.9103
            17  C1a C     4.2034    2.4862
            18  C1y C    -0.6276   -1.0724
            19  C1x C    -1.3103    0.1241
            20  C1y C    -1.3172   -0.6690
            21  C1x C    -0.6276   -1.8690
            22  C1z C    -2.0069   -1.0690
            23  C2x C    -1.3241   -2.2621
            24  C2y C    -2.0103   -1.8621
            25  C1x C    -2.6931   -0.6690
            26  C1a C    -2.0138   -0.2690
            27  C1x C    -2.6931   -2.2586
            28  C1x C    -3.3862   -1.0690
            29  C1y C    -3.3862   -1.8621
            30  O1a O    -4.0759   -2.2586
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   13  17 1 #Down
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   24  27 1
            27   25  28 1
            28   27  29 1
            29   29  30 1 #Up
            30    6   8 1
            31   10  13 1
            32   12  14 1
            33   19  20 1
            34   23  24 2
            35   28  29 1


entry: C08899
name: --- - Gitogenin
formula: C27H44O4
kcf:
ATOM        31
            1   C1z C     2.2655    1.3172
            2   C1y C     0.8931    1.3172
            3   O2x O     2.2655    0.5172
            4   C1x C     2.9552    0.9207
            5   O2x O     2.2690    2.1138
            6   C1y C     0.8931    0.5207
            7   C1a C     0.3276    1.8862
            8   C1y C     1.5828    0.1207
            9   C1x C     3.6448    1.3138
            10  C1x C     2.9552    2.5103
            11  C1z C     0.2034    0.1345
            12  C1x C     1.5621   -0.6759
            13  C1y C     3.6448    2.1138
            14  C1y C     0.1931   -0.6586
            15  C1x C    -0.4862    0.5379
            16  C1a C     0.1966    0.9345
            17  C1a C     4.3345    2.5069
            18  C1y C    -0.4966   -1.0483
            19  C1x C    -1.1759    0.1448
            20  C1y C    -1.1828   -0.6483
            21  C1x C    -0.4966   -1.8483
            22  C1z C    -1.8759   -1.0448
            23  C1x C    -1.1897   -2.2414
            24  C1y C    -1.8793   -1.8414
            25  C1x C    -2.5621   -0.6448
            26  C1a C    -1.8828   -0.2448
            27  C1x C    -2.5621   -2.2379
            28  C1y C    -3.2552   -1.0448
            29  C1y C    -3.2552   -1.8414
            30  O1a O    -3.9414   -0.6448
            31  O1a O    -3.9414   -2.2379
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   13  17 1 #Down
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   24  27 1
            27   25  28 1
            28   27  29 1
            29   28  30 1 #Down
            30   29  31 1 #Up
            31    6   8 1
            32   10  13 1
            33   12  14 1
            34   19  20 1
            35   23  24 1
            36   28  29 1


entry: C08900
name: --- - Gitonin
formula: C50H82O23
kcf:
ATOM        73
            1   C1y C    14.1887  -17.7192
            2   O2x O    14.1651  -18.5147
            3   C1y C    14.9075  -17.3417
            4   C1y C    14.8441  -18.9417
            5   C1y C    15.5836  -17.7639
            6   O1a O    14.9373  -16.5347
            7   C1y C    15.5505  -18.5648
            8   C1b C    14.8230  -19.7484
            9   O1a O    16.2988  -17.3870
            10  O1a O    16.2340  -18.9918
            11  C1y C    12.1834  -15.6709
            12  C1y C    12.1633  -16.4809
            13  O2x O    11.4910  -15.2578
            14  C1y C    11.4629  -16.8751
            15  O2a O    12.8684  -16.9020
            16  C1y C    10.7868  -15.6454
            17  O2a O    11.4487  -17.6732
            18  C1y C    10.7771  -16.4582
            19  C1b C    10.0993  -15.2397
            20  C1y C    10.7410  -18.0841
            21  O1a O    10.0734  -16.8470
            22  O1a O    10.1026  -14.4312
            23  C1y C    10.7306  -18.8928
            24  O2x O    10.0424  -17.6674
            25  C1y C    10.0185  -19.2824
            26  O1a O    11.4147  -19.3067
            27  C1x C     9.3467  -18.0669
            28  C1y C     9.3345  -18.8687
            29  O1a O    10.0033  -20.0858
            30  O1a O     8.6272  -19.2579
            31  C1y C    14.9670  -14.0531
            32  O2x O    14.2780  -13.6526
            33  C1y C    14.9725  -14.8596
            34  C1y C    13.5839  -14.0561
            35  C1y C    14.2851  -15.2583
            36  O1a O    15.6788  -15.2591
            37  C1y C    13.5865  -14.8608
            38  C1b C    12.8887  -13.6598
            39  O1a O    14.2876  -16.0630
            40  O2a O    12.8925  -15.2708
            41  O1a O    12.8880  -12.8521
            42  C1z C    19.8527  -11.2560
            43  C1y C    20.5573  -10.8679
            44  C1y C    19.8492  -12.0650
            45  C1x C    19.1627  -10.8610
            46  C1a C    19.8527  -10.4547
            47  C1y C    21.2468  -11.2740
            48  C1y C    20.5573  -10.0666
            49  C1y C    19.1482  -12.4567
            50  C1x C    21.2288  -12.0719
            51  C1x C    18.4691  -11.2491
            52  O2x O    21.9409  -10.8790
            53  C1z C    21.9409  -10.0666
            54  C1a C    19.9820   -9.4988
            55  C1y C    18.4581  -12.0505
            56  C1x C    19.1482  -13.2614
            57  C1x C    22.6346  -10.4727
            58  O2x O    21.9409   -9.2686
            59  C1z C    17.7611  -12.4490
            60  C1x C    18.4512  -13.6565
            61  C1x C    23.3238  -10.0700
            62  C1x C    22.6346   -8.8667
            63  C1y C    17.7577  -13.2469
            64  C1x C    17.0710  -12.0471
            65  C1a C    17.7542  -11.6477
            66  C1y C    23.3315   -9.2686
            67  C1x C    17.0710  -13.6530
            68  C1y C    16.3665  -12.4490
            69  C1a C    24.0217   -8.8702
            70  C1y C    16.3665  -13.2469
            71  O1a O    15.6805  -12.0471
            72  O2a O    15.6805  -13.6530
            73  O1a O    14.1064  -20.1381
BOND        82
            1    24  27 1
            2    25  28 1
            3    25  29 1 #Up
            4    28  30 1 #Down
            5    16  18 1
            6    27  28 1
            7    11  12 1
            8    11  13 1
            9    12  14 1
            10   12  15 1 #Down
            11   13  16 1
            12   14  17 1 #Up
            13   14  18 1
            14   16  19 1 #Up
            15   20  17 1 #Up
            16    7  10 1 #Up
            17    5   7 1
            18    1   2 1
            19    1   3 1
            20    2   4 1
            21    3   5 1
            22    3   6 1 #Down
            23    4   7 1
            24    4   8 1 #Up
            25    5   9 1 #Up
            26   18  21 1 #Down
            27   19  22 1
            28   20  23 1
            29   20  24 1
            30   23  25 1
            31   33  35 1
            32   33  36 1 #Down
            33   34  37 1
            34   34  38 1 #Up
            35   35  39 1 #Up
            36   37  40 1 #Up
            37   38  41 1
            38   35  37 1
            39   31  32 1
            40   31  33 1
            41   32  34 1
            42   42  43 1
            43   42  44 1
            44   42  45 1
            45   42  46 1 #Up
            46   43  47 1
            47   43  48 1
            48   44  49 1
            49   44  50 1
            50   45  51 1
            51   47  52 1
            52   48  53 1
            53   48  54 1 #Down
            54   49  55 1
            55   49  56 1
            56   53  57 1
            57   53  58 1 #Down
            58   55  59 1
            59   56  60 1
            60   57  61 1
            61   58  62 1
            62   59  63 1
            63   59  64 1
            64   59  65 1 #Up
            65   61  66 1
            66   63  67 1
            67   64  68 1
            68   66  69 1 #Down
            69   67  70 1
            70   68  71 1 #Down
            71   70  72 1 #Up
            72   47  50 1
            73   51  55 1
            74   52  53 1
            75   60  63 1
            76   62  66 1
            77   68  70 1
            78   31  72 1 #Up
            79   11  40 1 #Up
            80    1  15 1 #Up
            81   23  26 1 #Down
            82    8  73 1


entry: C08901
name: --- - Gracillin
formula: C45H72O17
kcf:
ATOM        62
            1   C1y C     2.9625  -12.8708
            2   C1y C     2.9509  -13.6807
            3   O2x O     2.2614  -12.4563
            4   C1y C     2.2511  -14.0757
            5   O2a O     3.6519  -14.0953
            6   C1y C     1.5588  -12.8495
            7   O2a O     2.2442  -14.8843
            8   C1y C     1.5431  -13.6659
            9   C1y C     4.3614  -14.5229
            10  C1b C     0.8576  -12.4349
            11  C1y C     1.5312  -15.2883
            12  O1a O     0.8418  -14.0638
            13  C1y C     5.0688  -14.1285
            14  O2x O     4.3456  -15.3263
            15  O1a O     0.8687  -11.6327
            16  O2x O     0.8331  -14.8754
            17  C1y C     1.5260  -16.0939
            18  C1y C     5.7681  -14.5461
            19  O1a O     5.0849  -13.3044
            20  C1y C     5.0356  -15.7512
            21  C1y C     0.1245  -15.2651
            22  C1y C     0.8168  -16.4913
            23  O1a O     2.2224  -16.5097
            24  C1y C     5.7517  -15.3571
            25  O1a O     6.4720  -14.1576
            26  C1a C     5.0181  -16.5575
            27  C1y C     0.1184  -16.0871
            28  C1b C    -0.5672  -14.8561
            29  O1a O     0.8096  -17.3086
            30  O1a O     6.4427  -15.7737
            31  O1a O    -0.5896  -16.4812
            32  O1a O    -0.5668  -14.0436
            33  C1z C     7.8914  -10.0445
            34  C1y C     8.5969   -9.6531
            35  C1y C     7.8810  -10.8480
            36  C1x C     7.1970   -9.6352
            37  C1a C     7.8845   -9.2301
            38  C1y C     9.2982  -10.0583
            39  C1y C     8.6003   -8.8352
            40  C1y C     7.1832  -11.2462
            41  C1x C     9.2767  -10.8694
            42  C1x C     6.4922  -10.0266
            43  O2x O     9.9926   -9.6566
            44  C1z C     9.9926   -8.8387
            45  C1a C     8.0253   -8.2678
            46  C1y C     6.4888  -10.8411
            47  C1x C     7.1832  -12.0608
            48  C1x C    10.6939   -9.2439
            49  O2x O     9.9960   -8.0352
            50  C1z C     5.7799  -11.2428
            51  C2x C     6.4743  -12.4625
            52  C1x C    11.3917   -8.8387
            53  C1x C    10.6973   -7.6259
            54  C2y C     5.7764  -12.0573
            55  C1x C     5.0786  -10.8376
            56  C1a C     5.7730  -10.4318
            57  C1y C    11.4027   -8.0352
            58  C1x C     5.0786  -12.4625
            59  C1x C     4.3807  -11.2428
            60  C1a C    12.1005   -7.6259
            61  C1y C     4.3807  -12.0573
            62  O2a O     3.6794  -12.4625
BOND        70
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1 #Down
            5     3   6 1
            6     4   7 1 #Up
            7     4   8 1
            8     9   5 1 #Up
            9     6  10 1 #Up
            10   11   7 1 #Up
            11    8  12 1 #Down
            12    9  13 1
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1
            17   13  18 1
            18   13  19 1 #Down
            19   14  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Down
            23   18  24 1
            24   18  25 1 #Down
            25   20  26 1 #Down
            26   21  27 1
            27   21  28 1 #Up
            28   22  29 1 #Up
            29   24  30 1 #Up
            30   27  31 1 #Down
            31   28  32 1
            32    6   8 1
            33   20  24 1
            34   22  27 1
            35   33  34 1
            36   33  35 1
            37   33  36 1
            38   33  37 1 #Up
            39   34  38 1
            40   34  39 1
            41   35  40 1
            42   35  41 1
            43   36  42 1
            44   38  43 1
            45   39  44 1
            46   39  45 1 #Down
            47   40  46 1
            48   40  47 1
            49   44  48 1
            50   44  49 1 #Down
            51   46  50 1
            52   47  51 1
            53   48  52 1
            54   49  53 1
            55   50  54 1
            56   50  55 1
            57   50  56 1 #Up
            58   52  57 1
            59   54  58 1
            60   55  59 1
            61   57  60 1 #Down
            62   58  61 1
            63   61  62 1 #Up
            64   38  41 1
            65   42  46 1
            66   43  44 1
            67   51  54 2
            68   53  57 1
            69   59  61 1
            70    1  62 1 #Up


entry: C08902
name: --- - Hecogenin
formula: C27H42O4
kcf:
ATOM        31
            1   C1z C     0.0897    0.0690
            2   C1y C     0.7793    0.4586
            3   C1y C     0.0793   -0.7207
            4   C5x C    -0.5966    0.4724
            5   C1a C     0.0862    0.8690
            6   C1y C     1.4690    0.0552
            7   C1y C     0.7828    1.2552
            8   C1y C    -0.6069   -1.1138
            9   C1x C     1.4517   -0.7379
            10  C1x C    -1.2897    0.0793
            11  O5x O    -0.5931    1.2690
            12  O2x O     2.1552    0.4552
            13  C1z C     2.1552    1.2517
            14  C1a C     0.2172    1.8207
            15  C1y C    -1.2966   -0.7138
            16  C1x C    -0.6069   -1.9103
            17  C1x C     2.8414    0.8552
            18  O2x O     2.1552    2.0517
            19  C1z C    -1.9862   -1.1103
            20  C1x C    -1.3035   -2.3034
            21  C1x C     3.5310    1.2517
            22  C1x C     2.8448    2.4448
            23  C1y C    -1.9897   -1.9069
            24  C1x C    -2.6724   -0.7103
            25  C1a C    -1.9931   -0.3103
            26  C1y C     3.5310    2.0483
            27  C1x C    -2.6724   -2.3000
            28  C1x C    -3.3655   -1.1103
            29  C1a C     4.2207    2.4448
            30  C1y C    -3.3655   -1.9069
            31  O1a O    -4.0552   -2.3034
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Down
            14    8  15 1
            15    8  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   15  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 1
            22   19  23 1
            23   19  24 1
            24   19  25 1 #Up
            25   21  26 1
            26   23  27 1
            27   24  28 1
            28   26  29 1 #Down
            29   27  30 1
            30   30  31 1 #Up
            31    6   9 1
            32   10  15 1
            33   12  13 1
            34   20  23 1
            35   22  26 1
            36   28  30 1


entry: C08904
name: --- - Officinalisnin I
formula: C45H76O19
kcf:
ATOM        64
            1   C1y C    12.0958  -16.3334
            2   O2x O    12.0829  -17.1419
            3   C1y C    12.8009  -15.9409
            4   C1y C    12.7814  -17.5546
            5   C1y C    13.5024  -16.3433
            6   O1a O    12.8121  -15.1293
            7   C1y C    13.4913  -17.1635
            8   C1b C    12.7685  -18.3633
            9   O1a O    14.2086  -15.9542
            10  O1a O    14.1853  -17.5827
            11  C1y C    21.9333  -10.6792
            12  O2x O    21.9477  -11.4863
            13  C1y C    22.6283  -10.2632
            14  C1y C    22.6574  -11.8773
            15  C1y C    23.3338  -10.6502
            16  O1a O    22.6139   -9.4562
            17  C1y C    23.3518  -11.4648
            18  C1b C    22.6678  -12.6878
            19  O1a O    24.0248  -10.2342
            20  O1a O    24.0572  -11.8518
            21  O1a O    21.9623  -13.1072
            22  C1y C    10.6750  -14.7083
            23  C1y C    10.6764  -15.5208
            24  O2x O     9.9789  -14.3083
            25  O2a O    11.3842  -15.9228
            26  C1y C     9.9798  -15.9282
            27  C1y C     9.2806  -14.7186
            28  C1y C     9.2771  -15.5243
            29  O1a O     9.9812  -16.7407
            30  C1b C     8.5691  -14.3146
            31  O1a O     8.5805  -15.9318
            32  O1a O     8.5648  -13.5003
            33  C1z C    15.6107  -11.8926
            34  C1y C    15.5961  -12.6996
            35  C1y C    16.3093  -11.4945
            36  C1x C    14.9086  -11.4801
            37  C1a C    15.5996  -11.0820
            38  C1y C    14.9017  -13.0975
            39  C1x C    16.9933  -12.7141
            40  C1y C    17.0147  -11.9070
            41  C1y C    16.3127  -10.6840
            42  C1x C    14.2067  -11.8815
            43  C1y C    14.2067  -12.6850
            44  C1x C    14.9017  -13.9081
            45  O2x O    17.7056  -11.4980
            46  C1z C    17.7056  -10.6910
            47  C1a C    15.7371  -10.1085
            48  C1z C    13.4977  -13.0941
            49  C1x C    14.1963  -14.3060
            50  C1b C    18.4153  -10.2784
            51  O1a O    17.7056   -9.8770
            52  C1y C    13.4977  -13.8970
            53  C1x C    12.7991  -12.6850
            54  C1a C    13.4977  -12.2836
            55  C1b C    19.1097  -10.6840
            56  C1x C    12.7991  -14.3026
            57  C1x C    12.0937  -13.0941
            58  C1c C    19.8116  -10.2784
            59  C1y C    12.0937  -13.8970
            60  C1b C    20.5102  -10.6840
            61  C1a C    19.8116   -9.4680
            62  O2a O    11.3917  -14.3026
            63  O2a O    21.2208  -10.2709
            64  O1a O    12.0476  -18.7644
BOND        71
            1     3   6 1 #Down
            2     4   7 1
            3     4   8 1 #Up
            4     5   9 1 #Up
            5     7  10 1 #Down
            6     5   7 1
            7    11  12 1
            8    11  13 1
            9    12  14 1
            10   13  15 1
            11   13  16 1 #Down
            12   14  17 1
            13   14  18 1 #Up
            14   15  19 1 #Up
            15   17  20 1 #Down
            16   18  21 1
            17   15  17 1
            18    1   2 1
            19    1   3 1
            20   22  23 1
            21   22  24 1
            22   23  25 1 #Down
            23   23  26 1
            24   24  27 1
            25   26  28 1
            26   26  29 1 #Up
            27   27  30 1 #Up
            28   28  31 1 #Down
            29   30  32 1
            30   27  28 1
            31   33  34 1
            32   33  35 1
            33   33  36 1
            34   33  37 1 #Up
            35   34  38 1
            36   34  39 1
            37   35  40 1
            38   35  41 1
            39   36  42 1
            40   38  43 1
            41   38  44 1
            42   40  45 1
            43   41  46 1
            44   41  47 1 #Down
            45   43  48 1
            46   44  49 1
            47   46  50 1
            48   46  51 1 #Down
            49   48  52 1
            50   48  53 1
            51   48  54 1 #Up
            52   50  55 1
            53   52  56 1
            54   53  57 1
            55   55  58 1
            56   56  59 1
            57   58  60 1
            58   58  61 1 #Up
            59   59  62 1 #Up
            60   39  40 1
            61   42  43 1
            62   45  46 1
            63   49  52 1
            64   57  59 1
            65   22  62 1 #Up
            66    2   4 1
            67   60  63 1
            68   11  63 1 #Up
            69    1  25 1 #Up
            70    3   5 1
            71    8  64 1


entry: C08905
name: --- - Osladin
formula: C45H74O17
kcf:
ATOM        62
            1   C1y C    11.0375   -9.7542
            2   C1y C    11.7550   -9.3450
            3   O2x O    11.0325  -10.5796
            4   C1y C    12.4646   -9.7596
            5   O1a O    11.7544   -8.5291
            6   C1y C    11.7326  -10.9887
            7   C1y C    12.4518  -10.5766
            8   O1a O    13.1719   -9.3613
            9   C1a C    11.7294  -11.8112
            10  O1a O    13.1613  -10.9912
            11  C1y C     3.2235  -15.0641
            12  C1y C     3.9332  -14.6497
            13  O2x O     3.2248  -15.8837
            14  C1y C     4.6506  -15.0589
            15  O1a O     3.9331  -13.8254
            16  C1y C     3.9411  -16.2977
            17  C1y C     4.6524  -15.8862
            18  O1a O     5.3591  -14.6491
            19  C1a C     3.9316  -17.1057
            20  O1a O     5.3574  -16.2809
            21  C1y C     1.8013  -13.4171
            22  C1y C     1.7985  -14.2371
            23  O2x O     1.0957  -13.0024
            24  O2a O     2.5100  -14.6553
            25  C1y C     1.0824  -14.6419
            26  C1y C     0.3844  -13.4060
            27  C1y C     0.3769  -14.2272
            28  O1a O     1.0744  -15.4708
            29  C1b C    -0.3259  -12.9925
            30  O1a O    -0.3397  -14.6396
            31  O1a O    -0.3195  -12.1665
            32  C1y C     6.0624  -11.7807
            33  C1y C     6.7724  -11.3750
            34  C1y C     5.3599  -11.3681
            35  C1x C     6.0624  -12.5991
            36  C1z C     6.7793  -10.5566
            37  C1x C     8.1815  -11.3964
            38  C1z C     4.6430  -11.7738
            39  C1x C     5.3668  -10.5462
            40  C5x C     5.3530  -13.0083
            41  C1y C     7.4928  -10.1620
            42  C1x C     6.0803  -10.1405
            43  C1a C     6.7759   -9.7348
            44  C1x C     8.1995  -10.5780
            45  C1y C     4.6395  -12.5922
            46  C1x C     3.9329  -11.3647
            47  C1a C     4.6361  -10.9520
            48  O5x O     5.3385  -13.8302
            49  C1c C     7.4893   -9.3401
            50  C1x C     3.9329  -13.0083
            51  C1x C     3.2194  -11.7738
            52  C1y C     8.1960   -8.9309
            53  C1a C     6.7759   -8.9309
            54  C1y C     3.2194  -12.5922
            55  O2x O     8.8984   -9.3401
            56  C1x C     8.1960   -8.1091
            57  O2a O     2.5169  -13.0083
            58  C1y C     9.6120   -8.9309
            59  C1x C     8.8984   -7.6999
            60  O2a O    10.3254   -9.3435
            61  C1y C     9.6120   -8.1125
            62  C1a C    10.3289   -7.6999
BOND        69
            1    12  15 1 #Down
            2    13  16 1
            3    14  17 1
            4    14  18 1 #Down
            5    16  19 1 #Down
            6    17  20 1 #Up
            7    16  17 1
            8     6   7 1
            9     1   2 1
            10    1   3 1
            11    2   4 1
            12    2   5 1 #Down
            13    3   6 1
            14    4   7 1
            15    4   8 1 #Down
            16    6   9 1 #Down
            17    7  10 1 #Up
            18   21  22 1
            19   21  23 1
            20   22  24 1 #Down
            21   22  25 1
            22   23  26 1
            23   25  27 1
            24   25  28 1 #Up
            25   26  29 1 #Up
            26   27  30 1 #Down
            27   29  31 1
            28   26  27 1
            29   11  12 1
            30   11  13 1
            31   12  14 1
            32   32  33 1
            33   32  34 1
            34   32  35 1
            35   33  36 1
            36   33  37 1
            37   34  38 1
            38   34  39 1
            39   35  40 1
            40   36  41 1
            41   36  42 1
            42   36  43 1 #Up
            43   37  44 1
            44   38  45 1
            45   38  46 1
            46   38  47 1 #Up
            47   40  48 2
            48   41  49 1
            49   45  50 1
            50   46  51 1
            51   49  52 1
            52   49  53 1 #Down
            53   50  54 1
            54   52  55 1
            55   52  56 1
            56   54  57 1 #Up
            57   55  58 1
            58   56  59 1
            59   58  60 1 #Up
            60   58  61 1
            61   61  62 1 #Up
            62   39  42 1
            63   40  45 1
            64   41  44 1
            65   51  54 1
            66   59  61 1
            67   21  57 1 #Up
            68   11  24 1 #Up
            69    1  60 1 #Up


entry: C08906
name: --- - Parillin
formula: C51H84O22
kcf:
ATOM        73
            1   C1y C    14.2458  -15.6084
            2   C1y C    14.2552  -16.4239
            3   O2x O    13.5313  -15.2087
            4   C1y C    13.5528  -16.8422
            5   O2a O    14.9705  -16.8195
            6   C1y C    12.8291  -15.6350
            7   C1y C    12.8480  -16.4479
            8   O1a O    13.5670  -17.6564
            9   C1y C    15.6857  -17.2347
            10  C1b C    12.1205  -15.2388
            11  O2a O    12.1395  -16.8698
            12  O2x O    15.6946  -18.0435
            13  C1y C    16.3822  -16.8260
            14  O2a O    12.1106  -14.4102
            15  C1y C    11.4260  -17.2938
            16  C1y C    16.4025  -18.4460
            17  C1y C    17.0859  -17.2143
            18  O1a O    16.3677  -16.0076
            19  C1y C    11.3888  -14.0025
            20  C1y C    11.4324  -18.1076
            21  O2x O    10.7132  -16.8911
            22  C1y C    17.0955  -18.0227
            23  C1b C    16.4151  -19.2527
            24  O1a O    17.7844  -16.8005
            25  O2x O    11.3586  -13.1870
            26  C1y C    10.6885  -14.4378
            27  C1y C    10.7270  -18.5242
            28  O1a O    12.1404  -18.5035
            29  C1y C    10.0098  -17.3041
            30  O1a O    17.8097  -18.4225
            31  C1y C    10.6418  -12.8068
            32  C1y C     9.9718  -14.0575
            33  O1a O    10.7197  -15.2656
            34  C1y C    10.0172  -18.1232
            35  O1a O    10.7399  -19.3337
            36  C1a C     9.3017  -16.9001
            37  C1y C     9.9404  -13.2374
            38  C1b C    10.6087  -11.9897
            39  O1a O     9.2670  -14.4941
            40  O1a O     9.3186  -18.5348
            41  O1a O     9.2238  -12.8485
            42  O1a O    11.3135  -11.5530
            43  C1z C    19.1997  -12.7749
            44  C1y C    19.9094  -12.3835
            45  C1y C    19.1928  -13.5832
            46  C1x C    18.5053  -12.3655
            47  C1a C    19.1962  -11.9603
            48  C1y C    20.6148  -12.7929
            49  C1y C    19.9128  -11.5683
            50  C1y C    18.4908  -13.9926
            51  C1x C    20.5934  -13.6004
            52  C1x C    17.7991  -12.7680
            53  O2x O    21.3134  -12.3835
            54  C1z C    21.3134  -11.5683
            55  C1a C    19.3378  -10.9933
            56  C1y C    17.7922  -13.5763
            57  C1x C    18.4908  -14.8002
            58  C1x C    22.0189  -11.9741
            59  O2x O    21.3168  -10.7607
            60  C1z C    17.0833  -13.9780
            61  C1x C    17.7819  -15.2060
            62  C1x C    22.7250  -11.5683
            63  C1x C    22.0189  -10.3513
            64  C1y C    17.0799  -14.7968
            65  C1x C    16.3848  -13.5763
            66  C1a C    17.0764  -13.1705
            67  C1y C    22.7250  -10.7607
            68  C1x C    16.3848  -15.2026
            69  C1x C    15.6793  -13.9780
            70  C1a C    23.4270  -10.3513
            71  C1y C    15.6793  -14.7968
            72  O2a O    14.9663  -15.2026
            73  O1a O    15.7072  -19.6763
BOND        82
            1    29  36 1 #Down
            2    31  37 1
            3    31  38 1 #Up
            4    32  39 1 #Up
            5    34  40 1 #Up
            6    37  41 1 #Down
            7    38  42 1
            8     6   7 1
            9    17  22 1
            10   29  34 1
            11   32  37 1
            12    1   2 1
            13    1   3 1
            14    2   4 1
            15    2   5 1 #Down
            16    3   6 1
            17    4   7 1
            18    4   8 1 #Up
            19    9   5 1 #Up
            20    6  10 1 #Up
            21    7  11 1 #Down
            22    9  12 1
            23    9  13 1
            24   10  14 1
            25   15  11 1 #Up
            26   12  16 1
            27   13  17 1
            28   13  18 1 #Down
            29   19  14 1 #Up
            30   15  20 1
            31   15  21 1
            32   16  22 1
            33   16  23 1 #Up
            34   17  24 1 #Up
            35   19  25 1
            36   19  26 1
            37   20  27 1
            38   20  28 1 #Down
            39   21  29 1
            40   22  30 1 #Down
            41   25  31 1
            42   26  32 1
            43   26  33 1 #Down
            44   27  34 1
            45   27  35 1 #Down
            46   43  44 1
            47   43  45 1
            48   43  46 1
            49   43  47 1 #Up
            50   44  48 1
            51   44  49 1
            52   45  50 1
            53   45  51 1
            54   46  52 1
            55   48  53 1
            56   49  54 1
            57   49  55 1 #Down
            58   50  56 1
            59   50  57 1
            60   54  58 1
            61   54  59 1 #Down
            62   56  60 1
            63   57  61 1
            64   58  62 1
            65   59  63 1
            66   60  64 1
            67   60  65 1
            68   60  66 1 #Up
            69   62  67 1
            70   64  68 1
            71   65  69 1
            72   67  70 1 #Up
            73   68  71 1
            74   71  72 1 #Up
            75   48  51 1
            76   52  56 1
            77   53  54 1
            78   61  64 1
            79   63  67 1
            80   69  71 1
            81    1  72 1 #Up
            82   23  73 1


entry: C08907
name: --- - Protodioscin
formula: C51H84O22
kcf:
ATOM        73
            1   C1y C    12.5542   -8.8000
            2   O2x O    12.5363   -9.6096
            3   C1y C    13.2595   -8.4152
            4   C1y C    13.2271  -10.0276
            5   C1y C    13.9504   -8.8290
            6   O1a O    13.2775   -7.6022
            7   C1y C    13.9324   -9.6387
            8   C1b C    13.2091  -10.8441
            9   O1a O    14.6591   -8.4332
            10  O1a O    14.6267  -10.0560
            11  O1a O    12.4893  -11.2366
            12  C1y C    -1.5459  -14.4750
            13  C1y C    -1.5529  -15.2892
            14  O2x O    -2.2532  -14.0647
            15  C1y C    -2.2637  -15.6911
            16  O1a O    -0.8461  -15.7126
            17  C1y C    -2.9580  -14.4632
            18  C1y C    -2.9680  -15.2791
            19  O1a O    -2.2670  -16.5120
            20  C1a C    -3.6586  -14.0578
            21  O1a O    -3.6777  -15.6844
            22  C1y C     2.6968  -14.4563
            23  C1y C     3.4020  -14.0580
            24  O2x O     2.6850  -15.2690
            25  C1y C     4.0919  -14.4665
            26  O1a O     3.4102  -13.2394
            27  C1y C     3.3902  -15.6813
            28  C1y C     4.0947  -15.2753
            29  O1a O     4.8087  -14.0661
            30  C1a C     3.3814  -16.4922
            31  O1a O     4.7900  -15.6927
            32  C1y C     1.2687  -12.8406
            33  C1y C     1.2809  -13.6469
            34  O2x O     0.5625  -12.4375
            35  C1y C     0.5807  -14.0682
            36  O2a O     1.9857  -14.0453
            37  C1y C    -0.1404  -12.8483
            38  C1y C    -0.1308  -13.6660
            39  O1a O     0.5899  -14.8728
            40  C1b C    -0.8500  -12.4512
            41  O2a O    -0.8277  -14.0676
            42  O1a O    -0.8575  -11.6436
            43  C1z C     6.2010  -10.0063
            44  C1y C     6.1941  -10.8159
            45  C1y C     6.9139   -9.6105
            46  C1x C     5.5067   -9.5994
            47  C1a C     6.1975   -9.1967
            48  C1y C     5.4922  -11.2186
            49  C1x C     7.6047  -10.8373
            50  C1y C     7.6192  -10.0208
            51  C1y C     6.9208   -8.8009
            52  C1x C     4.8049   -9.9953
            53  C1y C     4.8014  -10.8049
            54  C1x C     5.4922  -12.0359
            55  O2x O     8.3211   -9.6105
            56  C1z C     8.3211   -8.8043
            57  C1a C     6.3412   -8.2247
            58  C1z C     4.0927  -11.2117
            59  C2x C     4.7869  -12.4351
            60  C1b C     9.0188   -8.3974
            61  O1a O     8.3100   -7.9836
            62  C2y C     4.0850  -12.0248
            63  C1x C     3.3942  -10.8049
            64  C1a C     4.0816  -10.4022
            65  C1b C     9.7207   -8.8043
            66  C1x C     3.3942  -12.4351
            67  C1x C     2.6778  -11.2117
            68  C1c C    10.4191   -8.3974
            69  C1y C     2.6778  -12.0248
            70  C1b C    11.1313   -8.8043
            71  C1a C    10.4114   -7.5808
            72  O2a O     1.9871  -12.4351
            73  O2a O    11.8417   -8.3917
BOND        81
            1     4   8 1 #Up
            2     5   9 1 #Up
            3     7  10 1 #Down
            4     8  11 1
            5     5   7 1
            6     1   2 1
            7     1   3 1
            8     2   4 1
            9     3   5 1
            10    3   6 1 #Down
            11   13  16 1 #Down
            12   14  17 1
            13   15  18 1
            14   15  19 1 #Down
            15   17  20 1 #Down
            16   18  21 1 #Up
            17   32  33 1
            18   32  34 1
            19   33  35 1
            20   33  36 1 #Down
            21   34  37 1
            22   35  38 1
            23   35  39 1 #Up
            24   37  40 1 #Up
            25   38  41 1 #Down
            26   40  42 1
            27   37  38 1
            28   22  23 1
            29   22  24 1
            30   23  25 1
            31   23  26 1 #Down
            32   24  27 1
            33   25  28 1
            34   25  29 1 #Down
            35   27  30 1 #Down
            36   28  31 1 #Up
            37   27  28 1
            38   17  18 1
            39   12  13 1
            40   12  14 1
            41   13  15 1
            42   43  44 1
            43   43  45 1
            44   43  46 1
            45   43  47 1 #Up
            46   44  48 1
            47   44  49 1
            48   45  50 1
            49   45  51 1
            50   46  52 1
            51   48  53 1
            52   48  54 1
            53   50  55 1
            54   51  56 1
            55   51  57 1 #Down
            56   53  58 1
            57   54  59 1
            58   56  60 1
            59   56  61 1 #Down
            60   58  62 1
            61   58  63 1
            62   58  64 1 #Up
            63   60  65 1
            64   62  66 1
            65   63  67 1
            66   65  68 1
            67   66  69 1
            68   68  70 1
            69   68  71 1 #Up
            70   69  72 1 #Up
            71   49  50 1
            72   52  53 1
            73   55  56 1
            74   59  62 2
            75   67  69 1
            76   32  72 1 #Up
            77   22  36 1 #Up
            78   12  41 1 #Up
            79    4   7 1
            80   70  73 1
            81    1  73 1 #Up


entry: C08908
name: --- - Protogracillin
formula: C51H84O23
kcf:
ATOM        74
            1   C1y C    22.6709  -11.5943
            2   O2x O    22.6487  -12.4091
            3   C1y C    23.3910  -11.2155
            4   C1y C    23.3364  -12.8314
            5   C1y C    24.0752  -11.6413
            6   O1a O    23.4124  -10.4007
            7   C1y C    24.0461  -12.4526
            8   C1b C    23.2963  -13.6461
            9   O1a O    24.7843  -11.2556
            10  O1a O    24.7373  -12.8859
            11  C1y C    11.3792  -15.6499
            12  C1y C    11.3817  -16.4675
            13  O2x O    10.6753  -15.2329
            14  C1y C    10.6683  -16.8649
            15  O2a O    12.0786  -16.8764
            16  C1y C     9.9705  -15.6443
            17  O2a O    10.6620  -17.6823
            18  C1y C     9.9703  -16.4514
            19  C1y C    12.7808  -17.2964
            20  C1b C     9.2724  -15.2306
            21  C1y C     9.9486  -18.0797
            22  O1a O     9.2625  -16.8611
            23  C1y C    13.4812  -16.8992
            24  O2x O    12.7680  -18.1178
            25  O1a O     9.2736  -14.4153
            26  O2x O     9.2506  -17.6662
            27  C1y C     9.9474  -18.8951
            28  C1y C    14.1875  -17.3138
            29  O1a O    13.4948  -16.0912
            30  C1y C    13.4690  -18.5332
            31  C1y C     8.5428  -18.0758
            32  C1y C     9.2423  -19.2935
            33  O1a O    10.6502  -19.3075
            34  C1y C    14.1816  -18.1223
            35  O1a O    14.8965  -16.9088
            36  C1a C    13.4679  -19.3486
            37  C1y C     8.5443  -18.8800
            38  C1b C     7.8477  -17.6639
            39  O1a O     9.2411  -20.1090
            40  O1a O    14.8861  -18.5398
            41  O1a O     7.8433  -19.2848
            42  O1a O     7.8488  -16.8485
            43  C1z C    16.3245  -12.8248
            44  C1y C    16.3210  -13.6327
            45  C1y C    17.0308  -12.4247
            46  C1x C    15.6265  -12.4101
            47  C1a C    16.3210  -12.0100
            48  C1y C    15.6154  -14.0329
            49  C1x C    17.7184  -13.6472
            50  C1y C    17.7364  -12.8393
            51  C1y C    17.0343  -11.6098
            52  C1x C    14.9167  -12.8102
            53  C1y C    14.9133  -13.6217
            54  C1x C    15.6154  -14.8442
            55  O2x O    18.4275  -12.4281
            56  C1z C    18.4351  -11.6133
            57  C1a C    16.4593  -11.0348
            58  C1z C    14.2001  -14.0183
            59  C2x C    14.9057  -15.2554
            60  C1b C    19.1373  -11.2055
            61  O1a O    18.4275  -10.7943
            62  C2y C    14.2001  -14.8365
            63  C1x C    13.5014  -13.6182
            64  C1a C    14.2001  -13.2105
            65  C1b C    19.8394  -11.6098
            66  C1x C    13.5014  -15.2443
            67  C1x C    12.7916  -14.0183
            68  C1c C    20.5416  -11.2021
            69  C1y C    12.7916  -14.8365
            70  C1b C    21.2514  -11.6023
            71  C1a C    20.5416  -10.3907
            72  O2a O    12.0971  -15.2443
            73  O2a O    21.9625  -11.1875
            74  O1a O    22.5624  -14.0230
BOND        82
            1     5   9 1 #Up
            2     7  10 1 #Down
            3     5   7 1
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     3   5 1
            8     3   6 1 #Down
            9     4   7 1
            10   19  23 1
            11   19  24 1
            12   20  25 1
            13   21  26 1
            14   21  27 1
            15   23  28 1
            16   23  29 1 #Down
            17   24  30 1
            18   26  31 1
            19   27  32 1
            20   27  33 1 #Down
            21   28  34 1
            22   28  35 1 #Down
            23   30  36 1 #Down
            24   31  37 1
            25   31  38 1 #Up
            26   32  39 1 #Up
            27   34  40 1 #Up
            28   37  41 1 #Down
            29   38  42 1
            30   16  18 1
            31   30  34 1
            32   32  37 1
            33   11  12 1
            34   11  13 1
            35   12  14 1
            36   12  15 1 #Down
            37   13  16 1
            38   14  17 1 #Up
            39   14  18 1
            40   19  15 1 #Up
            41   16  20 1 #Up
            42   21  17 1 #Up
            43   18  22 1 #Down
            44   43  44 1
            45   43  45 1
            46   43  46 1
            47   43  47 1 #Up
            48   44  48 1
            49   44  49 1
            50   45  50 1
            51   45  51 1
            52   46  52 1
            53   48  53 1
            54   48  54 1
            55   50  55 1
            56   51  56 1
            57   51  57 1 #Down
            58   53  58 1
            59   54  59 1
            60   56  60 1
            61   56  61 1 #Down
            62   58  62 1
            63   58  63 1
            64   58  64 1 #Up
            65   60  65 1
            66   62  66 1
            67   63  67 1
            68   65  68 1
            69   66  69 1
            70   68  70 1
            71   68  71 1 #Up
            72   69  72 1 #Up
            73   49  50 1
            74   52  53 1
            75   55  56 1
            76   59  62 2
            77   67  69 1
            78   11  72 1 #Up
            79    4   8 1 #Up
            80   70  73 1
            81    1  73 1 #Up
            82    8  74 1


entry: C08909
name: --- - Ruscogenin
formula: C27H42O4
kcf:
ATOM        31
            1   C1y C     0.8483    0.4966
            2   C1z C     0.1586    0.1069
            3   C1y C     1.5379    0.0931
            4   C1y C     0.8517    1.2931
            5   C1y C     0.1483   -0.6828
            6   C1x C    -0.5310    0.5103
            7   C1a C     0.1517    0.9069
            8   O2x O     2.2207    0.4931
            9   C1x C     1.5172   -0.7000
            10  C1z C     2.2241    1.2897
            11  C1a C     0.2862    1.8586
            12  C1y C    -0.5414   -1.0759
            13  C1x C    -1.2207    0.1207
            14  C1x C     2.9103    0.8966
            15  O2x O     2.2241    2.0897
            16  C1y C    -1.2276   -0.6759
            17  C1x C    -0.5414   -1.8724
            18  C1x C     3.6000    1.2897
            19  C1x C     2.9138    2.4828
            20  C1z C    -1.9207   -1.0724
            21  C2x C    -1.2345   -2.2655
            22  C1y C     3.6000    2.0862
            23  C2y C    -1.9241   -1.8690
            24  C1y C    -2.6069   -0.6724
            25  C1a C    -1.9276   -0.2724
            26  C1a C     4.2897    2.4828
            27  C1x C    -2.6069   -2.2621
            28  C1x C    -3.2966   -1.0724
            29  O1a O    -2.6138    0.1241
            30  C1y C    -3.2966   -1.8690
            31  O1a O    -3.9862   -2.2621
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1 #Down
            11    5  12 1
            12    6  13 1
            13   10  14 1
            14   10  15 1 #Down
            15   12  16 1
            16   12  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 1
            22   20  23 1
            23   20  24 1
            24   20  25 1 #Up
            25   22  26 1 #Down
            26   23  27 1
            27   24  28 1
            28   24  29 1 #Up
            29   27  30 1
            30   30  31 1 #Up
            31    5   9 1
            32    8  10 1
            33   13  16 1
            34   19  22 1
            35   21  23 2
            36   28  30 1


entry: C08910
name: --- - Ruscoside
formula: C50H80O23
kcf:
ATOM        73
            1   C1y C    11.0596   -8.6299
            2   O2x O    11.0596   -9.4448
            3   C1y C    11.7612   -8.2352
            4   C1y C    11.7543   -9.8472
            5   C1y C    12.4669   -8.6368
            6   O1a O    11.7689   -7.4237
            7   C1y C    12.4525   -9.4448
            8   C1b C    11.7467  -10.6586
            9   O1a O    13.1651   -8.2387
            10  O1a O    13.1540   -9.8616
            11  C1y C     1.2041  -14.2959
            12  C1y C     1.9073  -13.8906
            13  O2x O     1.2113  -15.1055
            14  C1y C     2.6157  -14.2920
            15  O1a O     1.9129  -13.0728
            16  C1y C     1.9069  -15.5151
            17  O2a O     3.3188  -13.8867
            18  C1y C     2.6100  -15.1099
            19  C1a C     1.9124  -16.3217
            20  C1y C     4.0161  -14.2994
            21  O1a O     3.3185  -15.5113
            22  O2x O     4.0205  -15.1194
            23  C1y C     4.7222  -13.8924
            24  C1y C     4.7169  -15.5151
            25  C1y C     5.4211  -14.2993
            26  O1a O     4.7201  -13.0831
            27  C1y C     5.4229  -15.1082
            28  C1b C     4.7195  -16.3321
            29  O1a O     6.1271  -13.8924
            30  O1a O     6.1256  -15.5216
            31  C1y C    -0.2136  -12.6675
            32  C1y C    -0.2083  -13.4871
            33  O2x O    -0.9189  -12.2660
            34  O2a O     0.4939  -13.8870
            35  C1y C    -0.9119  -13.8894
            36  C1x C    -1.6128  -12.6739
            37  C1y C    -1.6162  -13.4796
            38  O1a O    -0.9111  -14.7017
            39  O1a O    -2.3206  -13.8902
            40  C1y C     4.7178  -10.6443
            41  C1z C     4.7323   -9.8439
            42  C1y C     4.0121  -11.0466
            43  C1x C     6.1140  -10.6623
            44  C1y C     5.4269   -9.4491
            45  C1x C     4.0307   -9.4270
            46  C1a C     4.7212   -9.0248
            47  C1y C     3.3216  -10.6366
            48  C1x C     4.0121  -11.8615
            49  C1y C     6.1397   -9.8549
            50  C1y C     5.4380   -8.6343
            51  C1x C     3.3216   -9.8293
            52  C1z C     2.6123  -11.0390
            53  C2x C     3.3139  -12.2638
            54  O2x O     6.8343   -9.4491
            55  C1z C     6.8343   -8.6377
            56  C1a C     4.8567   -8.0564
            57  C2y C     2.6123  -11.8504
            58  C1y C     1.9142  -10.6366
            59  C1a C     2.6088  -10.2275
            60  C1b C     7.5282   -8.2243
            61  O1a O     6.8343   -7.8262
            62  C1x C     1.9142  -12.2638
            63  C1x C     1.2126  -11.0390
            64  O1a O     1.9108   -9.8218
            65  C1b C     8.2341   -8.6343
            66  C1y C     1.2126  -11.8504
            67  C2c C     8.9321   -8.2209
            68  O2a O     0.5069  -12.2638
            69  C1b C     9.6337   -8.6343
            70  C2a C     8.9321   -7.4094
            71  O1a O     4.0063  -16.7469
            72  O2a O    10.3458   -8.2208
            73  O1a O    11.0284  -11.0644
BOND        81
            1     1   3 1
            2     2   4 1
            3     3   5 1
            4     3   6 1 #Down
            5     4   7 1
            6     4   8 1 #Up
            7     5   9 1 #Up
            8     7  10 1 #Down
            9     5   7 1
            10   13  16 1
            11   14  17 1 #Down
            12   14  18 1
            13   16  19 1 #Down
            14   31  32 1
            15   31  33 1
            16   32  34 1 #Down
            17   32  35 1
            18   33  36 1
            19   35  37 1
            20   35  38 1 #Up
            21   37  39 1 #Up
            22   36  37 1
            23   20  17 1 #Up
            24   18  21 1 #Up
            25   20  22 1
            26   20  23 1
            27   22  24 1
            28   23  25 1
            29   23  26 1 #Down
            30   24  27 1
            31   24  28 1 #Up
            32   25  29 1 #Up
            33   27  30 1 #Down
            34   16  18 1
            35   25  27 1
            36   11  12 1
            37   11  13 1
            38   12  14 1
            39   40  41 1
            40   40  42 1
            41   40  43 1
            42   41  44 1
            43   41  45 1
            44   41  46 1 #Up
            45   42  47 1
            46   42  48 1
            47   43  49 1
            48   44  50 1
            49   45  51 1
            50   47  52 1
            51   48  53 1
            52   49  54 1
            53   50  55 1
            54   50  56 1 #Down
            55   52  57 1
            56   52  58 1
            57   52  59 1 #Up
            58   55  60 1
            59   55  61 1 #Down
            60   57  62 1
            61   58  63 1
            62   58  64 1 #Up
            63   60  65 1
            64   62  66 1
            65   65  67 1
            66   66  68 1 #Up
            67   67  69 1
            68   67  70 2
            69   44  49 1
            70   47  51 1
            71   53  57 2
            72   54  55 1
            73   63  66 1
            74   31  68 1 #Up
            75   11  34 1 #Up
            76   12  15 1 #Down
            77   28  71 1
            78   69  72 1
            79    1  72 1 #Up
            80    1   2 1
            81    8  73 1


entry: C08911
name: --- - Sarsaparilloside
formula: C57H96O28
kcf:
ATOM        85
            1   O2a O    10.3274  -13.4647
            2   C1y C     9.6194  -13.0452
            3   O2x O     9.6303  -12.2273
            4   C1y C     8.9030  -13.4430
            5   C1y C     8.9270  -11.8172
            6   C1y C     8.2032  -13.0244
            7   O1a O     8.8902  -14.2639
            8   C1y C     8.2201  -12.2099
            9   C1b C     8.9398  -10.9963
            10  O1a O     7.4900  -13.4088
            11  O1a O     7.5189  -11.7899
            12  O1a O     9.6495  -10.5946
            13  C1y C    13.8333  -16.3375
            14  O2x O    13.8120  -17.1542
            15  C1y C    14.5501  -15.9486
            16  C1y C    14.5093  -17.5802
            17  C1y C    15.2455  -16.3708
            18  O1a O    14.5740  -15.1219
            19  C1y C    15.2203  -17.1927
            20  C1b C    14.4827  -18.3917
            21  O1a O    15.9549  -15.9802
            22  O1a O    15.9188  -17.6131
            23  C1y C    23.7238  -10.6533
            24  O2x O    23.7349  -11.4689
            25  C1y C    24.4343  -10.2462
            26  C1y C    24.4377  -11.8655
            27  C1y C    25.1364  -10.6464
            28  O1a O    24.4267   -9.4384
            29  C1y C    25.1364  -11.4578
            30  C1b C    24.4488  -12.6810
            31  O1a O    25.8351  -10.2428
            32  O1a O    25.8462  -11.8621
            33  O1a O    23.7349  -13.0991
            34  C1y C    12.4333  -14.7084
            35  C1y C    12.4346  -15.5207
            36  O2x O    11.7348  -14.2945
            37  C1y C    11.7301  -15.9229
            38  O2a O    13.1219  -15.9277
            39  C1y C    11.0254  -14.7028
            40  C1y C    11.0251  -15.5093
            41  O1a O    11.7287  -16.7464
            42  C1b C    10.3215  -14.2897
            43  O2a O    10.3099  -15.9229
            44  C1y C     9.5904  -16.3332
            45  C1y C     9.5999  -17.1463
            46  O2x O     8.8880  -15.9258
            47  C1y C     8.8916  -17.5551
            48  O1a O    10.3153  -17.5492
            49  C1y C     8.1773  -16.3358
            50  C1y C     8.1836  -17.1462
            51  O1a O     8.8910  -18.3623
            52  C1a C     7.4753  -15.9279
            53  O1a O     7.4836  -17.5559
            54  C1y C    17.3656  -12.6843
            55  C1z C    17.3767  -11.8722
            56  C1y C    16.6635  -13.0844
            57  C1x C    18.7783  -12.7023
            58  C1y C    18.0865  -11.4796
            59  C1x C    16.6780  -11.4652
            60  C1a C    17.3733  -11.0609
            61  C1y C    15.9724  -12.6732
            62  C1x C    16.6635  -13.8958
            63  C1y C    18.8004  -11.8867
            64  C1y C    18.0865  -10.6641
            65  C1x C    15.9759  -11.8576
            66  C1z C    15.2592  -13.0809
            67  C1x C    15.9538  -14.3036
            68  O2x O    19.4915  -11.4831
            69  C1z C    19.4915  -10.6641
            70  C1a C    17.5150  -10.0816
            71  C1y C    15.2592  -13.8923
            72  C1x C    14.5564  -12.6732
            73  C1a C    15.2516  -12.2654
            74  C1b C    20.1936  -10.2564
            75  O1a O    19.4915   -9.8486
            76  C1x C    14.5564  -14.3036
            77  C1x C    13.8542  -13.0809
            78  C1b C    20.9000  -10.6641
            79  C1y C    13.8542  -13.8923
            80  C1c C    21.5987  -10.2564
            81  O2a O    13.1478  -14.3036
            82  C1b C    22.2974  -10.6607
            83  C1a C    21.5987   -9.4450
            84  O2a O    23.0083  -10.2459
            85  O1a O    13.7552  -18.7806
BOND        94
            1     2   1 1 #Up
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Down
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1 #Up
            10    8  11 1 #Down
            11    9  12 1
            12    6   8 1
            13   15  17 1
            14   15  18 1 #Down
            15   16  19 1
            16   16  20 1 #Up
            17   17  21 1 #Up
            18   19  22 1 #Down
            19   17  19 1
            20   23  24 1
            21   23  25 1
            22   24  26 1
            23   25  27 1
            24   25  28 1 #Down
            25   26  29 1
            26   26  30 1 #Up
            27   27  31 1 #Up
            28   29  32 1 #Down
            29   30  33 1
            30   27  29 1
            31   13  14 1
            32   34  35 1
            33   34  36 1
            34   35  37 1
            35   35  38 1 #Down
            36   36  39 1
            37   37  40 1
            38   37  41 1 #Up
            39   39  42 1 #Up
            40   40  43 1 #Down
            41   44  43 1 #Up
            42   44  45 1
            43   44  46 1
            44   45  47 1
            45   45  48 1 #Down
            46   46  49 1
            47   47  50 1
            48   47  51 1 #Down
            49   49  52 1 #Down
            50   50  53 1 #Up
            51   39  40 1
            52   49  50 1
            53   54  55 1
            54   54  56 1
            55   54  57 1
            56   55  58 1
            57   55  59 1
            58   55  60 1 #Up
            59   56  61 1
            60   56  62 1
            61   57  63 1
            62   58  64 1
            63   59  65 1
            64   61  66 1
            65   62  67 1
            66   63  68 1
            67   64  69 1
            68   64  70 1 #Down
            69   66  71 1
            70   66  72 1
            71   66  73 1 #Up
            72   69  74 1
            73   69  75 1 #Down
            74   71  76 1
            75   72  77 1
            76   74  78 1
            77   76  79 1
            78   78  80 1
            79   79  81 1 #Up
            80   80  82 1
            81   80  83 1 #Down
            82   58  63 1
            83   61  65 1
            84   67  71 1
            85   68  69 1
            86   77  79 1
            87   34  81 1 #Up
            88   13  15 1
            89   82  84 1
            90   23  84 1 #Up
            91   13  38 1 #Up
            92   14  16 1
            93   20  85 1
            94   42   1 1


entry: C08912
name: --- - Sarsasapogenin 3-O-4G-rhamnosylsophoroside
formula: C45H74O17
kcf:
ATOM        62
            1   C1y C    11.3767  -16.9188
            2   C1y C    11.3917  -17.7408
            3   O2x O    10.6630  -16.5298
            4   C1y C    10.6972  -18.1593
            5   O1a O    12.1189  -18.1378
            6   C1y C     9.9657  -16.9586
            7   C1y C     9.9781  -17.7693
            8   O1a O    10.7175  -18.9700
            9   C1a C     9.2562  -16.5632
            10  O1a O     9.2915  -18.1879
            11  C1y C    14.2208  -15.3083
            12  C1y C    14.2133  -16.1165
            13  O2x O    13.5151  -14.8939
            14  C1y C    13.5085  -16.5161
            15  O2a O    14.9092  -16.5242
            16  C1y C    12.8087  -15.2964
            17  C1y C    12.8059  -16.1034
            18  O1a O    13.4989  -17.3279
            19  C1y C    15.6187  -16.9471
            20  C1b C    12.1118  -14.8872
            21  O2a O    12.0977  -16.5089
            22  O2x O    15.5933  -17.7608
            23  C1y C    16.3291  -16.5620
            24  O1a O    12.1096  -14.0685
            25  C1y C    16.2854  -18.1808
            26  C1y C    17.0231  -16.9855
            27  O1a O    16.3509  -15.7346
            28  C1y C    17.0025  -17.8006
            29  C1b C    16.2570  -18.9960
            30  O1a O    17.7366  -16.5988
            31  O1a O    17.6898  -18.2192
            32  C1z C    19.1566  -12.4820
            33  C1y C    19.8666  -12.0866
            34  C1y C    19.1497  -13.2859
            35  C1x C    18.4569  -12.0728
            36  C1a C    19.1531  -11.6739
            37  C1y C    20.5691  -12.4992
            38  C1y C    19.8700  -11.2682
            39  C1y C    18.4466  -13.6882
            40  C1x C    20.5518  -13.3073
            41  C1x C    17.7613  -12.4709
            42  O2x O    21.2653  -12.0901
            43  C1z C    21.2653  -11.2751
            44  C1a C    19.2890  -10.6983
            45  C1y C    17.7544  -13.2790
            46  C1x C    18.4466  -14.5031
            47  C1x C    21.9609  -11.6843
            48  O2x O    21.2653  -10.4678
            49  C1z C    17.0478  -13.6813
            50  C1x C    17.7433  -14.9019
            51  C1x C    22.6709  -11.2751
            52  C1x C    21.9609  -10.0655
            53  C1y C    17.0410  -14.4997
            54  C1x C    16.3412  -13.2755
            55  C1a C    17.0375  -12.8698
            56  C1y C    22.6709  -10.4678
            57  C1x C    16.3412  -14.9019
            58  C1x C    15.6422  -13.6813
            59  C1a C    23.3699  -10.0655
            60  C1y C    15.6422  -14.4997
            61  O2a O    14.9390  -14.9019
            62  O1a O    15.5286  -19.3834
BOND        70
            1     1   3 1
            2     2   4 1
            3     2   5 1 #Down
            4     3   6 1
            5     4   7 1
            6     4   8 1 #Down
            7     6   9 1 #Down
            8     7  10 1 #Up
            9     6   7 1
            10   11  12 1
            11   11  13 1
            12   12  14 1
            13   12  15 1 #Down
            14   13  16 1
            15   14  17 1
            16   14  18 1 #Up
            17   19  15 1 #Up
            18   16  20 1 #Up
            19   17  21 1 #Down
            20   19  22 1
            21   19  23 1
            22   20  24 1
            23   22  25 1
            24   23  26 1
            25   23  27 1 #Down
            26   25  28 1
            27   25  29 1 #Up
            28   26  30 1 #Up
            29   28  31 1 #Down
            30   16  17 1
            31   26  28 1
            32    1   2 1
            33   32  33 1
            34   32  34 1
            35   32  35 1
            36   32  36 1 #Up
            37   33  37 1
            38   33  38 1
            39   34  39 1
            40   34  40 1
            41   35  41 1
            42   37  42 1
            43   38  43 1
            44   38  44 1 #Down
            45   39  45 1
            46   39  46 1
            47   43  47 1
            48   43  48 1 #Down
            49   45  49 1
            50   46  50 1
            51   47  51 1
            52   48  52 1
            53   49  53 1
            54   49  54 1
            55   49  55 1 #Up
            56   51  56 1
            57   53  57 1
            58   54  58 1
            59   56  59 1 #Up
            60   57  60 1
            61   60  61 1 #Up
            62   37  40 1
            63   41  45 1
            64   42  43 1
            65   50  53 1
            66   52  56 1
            67   58  60 1
            68   11  61 1 #Up
            69    1  21 1 #Up
            70   29  62 1


entry: C08913
name: --- - Smilagenin - (25R)-5beta-Spirostan-3beta-ol
formula: C27H44O3
kcf:
ATOM        30
            1   C1z C     2.1345    1.2966
            2   C1y C     0.7621    1.2966
            3   O2x O     2.1345    0.4966
            4   C1x C     2.8241    0.9000
            5   O2x O     2.1379    2.0931
            6   C1y C     0.7621    0.5000
            7   C1a C     0.1966    1.8655
            8   C1y C     1.4517    0.1000
            9   C1x C     3.5103    1.2931
            10  C1x C     2.8241    2.4862
            11  C1z C     0.0690    0.1103
            12  C1x C     1.4310   -0.6966
            13  C1y C     3.5138    2.0931
            14  C1y C     0.0621   -0.6793
            15  C1x C    -0.6172    0.5172
            16  C1a C     0.0655    0.9103
            17  C1a C     4.2034    2.4862
            18  C1y C    -0.6276   -1.0724
            19  C1x C    -1.3103    0.1241
            20  C1y C    -1.3172   -0.6690
            21  C1x C    -0.6276   -1.8690
            22  C1z C    -2.0069   -1.0690
            23  C1x C    -1.3241   -2.2621
            24  C1y C    -2.0103   -1.8621
            25  C1x C    -2.6931   -0.6690
            26  C1a C    -2.0138   -0.2690
            27  C1x C    -2.6931   -2.2586
            28  C1x C    -3.3862   -1.0690
            29  C1y C    -3.3862   -1.8621
            30  O1a O    -4.0759   -2.2586
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   13  17 1 #Down
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   24  27 1
            27   25  28 1
            28   27  29 1
            29   29  30 1 #Up
            30    6   8 1
            31   10  13 1
            32   12  14 1
            33   19  20 1
            34   23  24 1
            35   28  29 1


entry: C08915
name: --- - Tigonin
formula: C56H92O27
kcf:
ATOM        83
            1   C1y C    17.1834  -17.3208
            2   O2x O    17.1799  -18.1262
            3   C1y C    17.8744  -16.9066
            4   C1y C    17.8855  -18.5196
            5   C1y C    18.5790  -17.3119
            6   O1a O    17.8682  -16.1068
            7   C1y C    18.5868  -18.1147
            8   C1b C    17.8925  -19.3277
            9   O1a O    19.2737  -16.9042
            10  O1a O    19.2915  -18.5134
            11  C1y C    14.3826  -17.2477
            12  C1y C    15.0920  -16.8660
            13  O2x O    14.3462  -18.0560
            14  C1y C    15.7832  -17.2898
            15  O1a O    15.1167  -16.0556
            16  C1y C    15.0366  -18.4865
            17  O2a O    16.4828  -16.9131
            18  C1y C    15.7518  -18.1037
            19  C1b C    15.0085  -19.2902
            20  O1a O    16.4323  -18.5222
            21  C1y C    12.1229  -15.2318
            22  C1y C    12.1256  -16.0320
            23  O2x O    11.4213  -14.8280
            24  C1y C    11.4181  -16.4417
            25  O2a O    12.8311  -16.4445
            26  C1y C    10.7202  -15.2258
            27  O2a O    11.4129  -17.2506
            28  C1y C    10.7187  -16.0329
            29  C1b C    10.0197  -14.8232
            30  C1y C    10.7182  -17.6576
            31  O1a O    10.0131  -16.4392
            32  O1a O    10.0149  -14.0116
            33  C1y C    10.7217  -18.4575
            34  O2x O    10.0163  -17.2478
            35  C1y C    10.0126  -18.8570
            36  O1a O    11.4080  -18.8652
            37  C1x C     9.3181  -17.6480
            38  C1y C     9.3117  -18.4530
            39  O1a O    10.0127  -19.6672
            40  O1a O     8.6170  -18.8560
            41  C1y C    14.9402  -13.6409
            42  O2x O    14.2420  -13.2319
            43  C1y C    14.9352  -14.4462
            44  C1y C    13.5460  -13.6301
            45  C1y C    14.2282  -14.8492
            46  O1a O    15.6313  -14.8516
            47  C1y C    13.5389  -14.4389
            48  C1b C    12.8538  -13.2182
            49  O1a O    14.2217  -15.6488
            50  O2a O    12.8364  -14.8333
            51  O1a O    12.8523  -12.4089
            52  C1z C    19.8459  -10.8363
            53  C1y C    20.5508  -10.4480
            54  C1y C    19.8348  -11.6359
            55  C1x C    19.1478  -10.4334
            56  C1a C    19.8425  -10.0299
            57  C1y C    21.2446  -10.8550
            58  C1y C    20.5508   -9.6373
            59  C1y C    19.1333  -12.0394
            60  C1x C    21.2224  -11.6539
            61  C1x C    18.4499  -10.8260
            62  O2x O    21.9426  -10.4514
            63  C1z C    21.9426   -9.6373
            64  C1a C    19.9689   -9.0630
            65  C1y C    18.4464  -11.6324
            66  C1x C    19.1333  -12.8425
            67  C1x C    22.6288  -10.0444
            68  O2x O    21.9426   -8.8344
            69  C1z C    17.7416  -12.0283
            70  C1x C    18.4395  -13.2419
            71  C1x C    23.3303   -9.6449
            72  C1x C    22.6288   -8.4348
            73  C1y C    17.7416  -12.8349
            74  C1x C    17.0512  -11.6248
            75  C1a C    17.7381  -11.2254
            76  C1y C    23.3303   -8.8419
            77  C1x C    17.0512  -13.2385
            78  C1x C    16.3463  -12.0283
            79  C1a C    24.0317   -8.4348
            80  C1y C    16.3463  -12.8349
            81  O2a O    15.6525  -13.2385
            82  O1a O    14.2886  -19.6737
            83  O1a O    17.1899  -19.7422
BOND        93
            1     2   4 1
            2     3   5 1
            3     3   6 1 #Down
            4     4   7 1
            5     4   8 1 #Up
            6    11  12 1
            7    11  13 1
            8    12  14 1
            9    12  15 1 #Down
            10   13  16 1
            11   14  17 1 #Up
            12   14  18 1
            13   16  19 1 #Up
            14   18  20 1 #Up
            15   21  22 1
            16   21  23 1
            17   22  24 1
            18   22  25 1 #Down
            19   23  26 1
            20   24  27 1 #Up
            21   24  28 1
            22   26  29 1 #Up
            23   30  27 1 #Up
            24   28  31 1 #Down
            25   29  32 1
            26   30  33 1
            27   30  34 1
            28   33  35 1
            29   33  36 1 #Down
            30   34  37 1
            31   35  38 1
            32   35  39 1 #Up
            33   38  40 1 #Down
            34   26  28 1
            35   37  38 1
            36   16  18 1
            37    5   9 1 #Up
            38    7  10 1 #Down
            39    5   7 1
            40   41  42 1
            41   41  43 1
            42   42  44 1
            43   43  45 1
            44   43  46 1 #Down
            45   44  47 1
            46   44  48 1 #Up
            47   45  49 1 #Up
            48   47  50 1 #Up
            49   48  51 1
            50   45  47 1
            51   52  53 1
            52   52  54 1
            53   52  55 1
            54   52  56 1 #Up
            55   53  57 1
            56   53  58 1
            57   54  59 1
            58   54  60 1
            59   55  61 1
            60   57  62 1
            61   58  63 1
            62   58  64 1 #Down
            63   59  65 1
            64   59  66 1
            65   63  67 1
            66   63  68 1 #Down
            67   65  69 1
            68   66  70 1
            69   67  71 1
            70   68  72 1
            71   69  73 1
            72   69  74 1
            73   69  75 1 #Up
            74   71  76 1
            75   73  77 1
            76   74  78 1
            77   76  79 1 #Down
            78   77  80 1
            79   80  81 1 #Up
            80   57  60 1
            81   61  65 1
            82   62  63 1
            83   70  73 1
            84   72  76 1
            85   78  80 1
            86   41  81 1 #Up
            87   21  50 1 #Up
            88   11  25 1 #Up
            89    1   2 1
            90   19  82 1
            91    1  17 1 #Up
            92    1   3 1
            93    8  83 1


entry: C08916
name: --- - Tokoronin
formula: C32H52O9
kcf:
ATOM        41
            1   C1z C    -1.1897   -1.4897
            2   C1y C    -0.4897   -1.0897
            3   C1y C    -1.8862   -1.0897
            4   C1y C    -1.1931   -2.2931
            5   C1a C    -1.2000   -0.6828
            6   C1y C     0.1966   -1.4966
            7   C1x C    -0.4862   -0.2862
            8   O2a O    -1.8931   -0.2793
            9   C1y C    -2.5862   -1.4897
            10  C1x C    -0.5000   -2.7000
            11  C1x C    -1.8862   -2.6966
            12  C1y C     0.8931   -1.1000
            13  C1x C     0.1966   -2.3000
            14  C1x C     0.2103    0.1069
            15  C1y C    -1.9000    0.5483
            16  C1y C    -2.5862   -2.2931
            17  O1a O    -3.2793   -1.0862
            18  C1z C     0.9034   -0.2966
            19  C1x C     2.2793   -1.1138
            20  C1y C    -2.5897    0.9483
            21  O2x O    -1.2034    0.9483
            22  O1a O    -3.2793   -2.6966
            23  C1y C     1.6035    0.0931
            24  C1a C     0.8966    0.5069
            25  C1y C     2.3000   -0.3138
            26  C1y C    -2.5897    1.7517
            27  O1a O    -3.3034    0.5379
            28  C1x C    -1.1966    1.7483
            29  C1y C     1.6035    0.8966
            30  O2x O     2.9897    0.0897
            31  C1y C    -1.8931    2.1517
            32  O1a O    -3.2897    2.1586
            33  C1z C     2.9897    0.8966
            34  C1a C     1.0345    1.4690
            35  O1a O    -1.8897    2.9586
            36  C1x C     3.6862    0.4966
            37  O2x O     2.9897    1.7035
            38  C1x C     4.3828    0.8931
            39  C1x C     3.6862    2.1000
            40  C1y C     4.3828    1.7000
            41  C1a C     5.0828    2.1000
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14   15   8 1 #Up
            15    9  16 1
            16    9  17 1 #Up
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20   15  21 1
            21   16  22 1 #Down
            22   18  23 1
            23   18  24 1 #Up
            24   19  25 1
            25   20  26 1
            26   20  27 1 #Down
            27   21  28 1
            28   23  29 1
            29   25  30 1
            30   26  31 1
            31   26  32 1 #Up
            32   29  33 1
            33   29  34 1 #Down
            34   31  35 1 #Up
            35   33  36 1
            36   33  37 1 #Down
            37   36  38 1
            38   37  39 1
            39   38  40 1
            40   40  41 1 #Down
            41   10  13 1
            42   11  16 1
            43   14  18 1
            44   23  25 1
            45   28  31 1
            46   30  33 1
            47   39  40 1


entry: C08917
name: --- - Trigonelloside C
formula: C51H84O22
kcf:
ATOM        73
            1   C1y C    12.5000   -8.8458
            2   O2x O    12.5000   -9.6630
            3   C1y C    13.2054   -8.4354
            4   C1y C    13.2054  -10.0657
            5   C1y C    13.9072   -8.8458
            6   O1a O    13.2054   -7.6257
            7   C1y C    13.9072   -9.6630
            8   C1b C    13.2019  -10.8795
            9   O1a O    14.6125   -8.4464
            10  O1a O    14.6091  -10.0657
            11  C1y C    -1.6334  -14.4818
            12  C1y C    -1.6443  -15.2995
            13  O2x O    -2.3376  -14.0670
            14  C1y C    -2.3450  -15.6982
            15  O1a O    -0.9354  -15.7156
            16  C1y C    -3.0442  -14.4691
            17  C1y C    -3.0543  -15.2814
            18  O1a O    -2.3558  -16.5159
            19  C1a C    -3.7385  -14.0565
            20  O1a O    -3.7596  -15.6788
            21  C1y C     2.6041  -14.5416
            22  C1y C     3.3103  -14.1385
            23  O2x O     2.6066  -15.3504
            24  C1y C     4.0151  -14.5376
            25  O1a O     3.3053  -13.3184
            26  C1y C     3.3139  -15.7608
            27  C1y C     4.0067  -15.3565
            28  O1a O     4.7166  -14.1332
            29  C1a C     3.3081  -16.5704
            30  O1a O     4.7172  -15.7572
            31  C1y C     1.2166  -12.8958
            32  C1y C     1.2097  -13.7144
            33  O2x O     0.5261  -12.4731
            34  C1y C     0.4962  -14.1007
            35  O2a O     1.8938  -14.1331
            36  C1y C    -0.1884  -12.8758
            37  C1y C    -0.2009  -13.6821
            38  O1a O     0.4762  -14.9194
            39  C1b C    -0.8825  -12.4509
            40  O2a O    -0.9197  -14.0771
            41  O1a O    -0.8691  -11.6363
            42  C1z C     6.1656  -10.0716
            43  C1y C     6.1511  -10.8742
            44  C1y C     6.8675   -9.6722
            45  C1x C     5.4638   -9.6578
            46  C1a C     6.1511   -9.2584
            47  C1y C     5.4458  -11.2811
            48  C1x C     7.5549  -10.8957
            49  C1y C     7.5728  -10.0860
            50  C1y C     6.8675   -8.8626
            51  C1x C     4.7584  -10.0570
            52  C1y C     4.7515  -10.8708
            53  C1x C     5.4458  -12.0907
            54  O2x O     8.2712   -9.6757
            55  C1z C     8.2712   -8.8661
            56  C1a C     6.2914   -8.2830
            57  C1z C     4.0497  -11.2700
            58  C2x C     4.7481  -12.4901
            59  C1b C     8.9800   -8.4523
            60  O1a O     8.2636   -8.0530
            61  C2y C     4.0462  -12.0797
            62  C1x C     3.3444  -10.8708
            63  C1a C     4.0428  -10.4570
            64  C1b C     9.6708   -8.8515
            65  C1x C     3.3444  -12.4901
            66  C1x C     2.6425  -11.2700
            67  C1c C    10.3837   -8.4523
            68  C1y C     2.6425  -12.0797
            69  C1b C    11.0780   -8.8515
            70  C1a C    10.3761   -7.6427
            71  O2a O     1.9337  -12.4901
            72  O2a O    11.7875   -8.4375
            73  O1a O    12.4857  -11.2890
BOND        81
            1     1   3 1
            2     2   4 1
            3     3   5 1
            4     3   6 1 #Down
            5     4   7 1
            6     4   8 1 #Up
            7     5   9 1 #Up
            8     7  10 1 #Down
            9     5   7 1
            10   12  15 1 #Down
            11   13  16 1
            12   14  17 1
            13   14  18 1 #Down
            14   16  19 1 #Down
            15   17  20 1 #Up
            16   31  32 1
            17   31  33 1
            18   32  34 1
            19   32  35 1 #Down
            20   33  36 1
            21   34  37 1
            22   34  38 1 #Up
            23   36  39 1 #Up
            24   37  40 1 #Down
            25   39  41 1
            26   36  37 1
            27   21  22 1
            28   21  23 1
            29   22  24 1
            30   22  25 1 #Down
            31   23  26 1
            32   24  27 1
            33   24  28 1 #Down
            34   26  29 1 #Down
            35   27  30 1 #Up
            36   26  27 1
            37   16  17 1
            38   11  12 1
            39   11  13 1
            40   12  14 1
            41   42  43 1
            42   42  44 1
            43   42  45 1
            44   42  46 1 #Up
            45   43  47 1
            46   43  48 1
            47   44  49 1
            48   44  50 1
            49   45  51 1
            50   47  52 1
            51   47  53 1
            52   49  54 1
            53   50  55 1
            54   50  56 1 #Down
            55   52  57 1
            56   53  58 1
            57   55  59 1
            58   55  60 1 #Down
            59   57  61 1
            60   57  62 1
            61   57  63 1 #Up
            62   59  64 1
            63   61  65 1
            64   62  66 1
            65   64  67 1
            66   65  68 1
            67   67  69 1
            68   67  70 1 #Down
            69   68  71 1 #Up
            70   48  49 1
            71   51  52 1
            72   54  55 1
            73   58  61 2
            74   66  68 1
            75   31  71 1 #Up
            76   21  35 1 #Up
            77   11  40 1 #Up
            78   69  72 1
            79    1  72 1 #Up
            80    1   2 1
            81    8  73 1


entry: C08918
name: --- - Yamogenin
formula: C27H42O3
kcf:
ATOM        30
            1   C1z C     2.1345    1.2966
            2   C1y C     0.7621    1.2966
            3   O2x O     2.1345    0.4966
            4   C1x C     2.8241    0.9000
            5   O2x O     2.1379    2.0931
            6   C1y C     0.7621    0.5000
            7   C1a C     0.1966    1.8655
            8   C1y C     1.4517    0.1000
            9   C1x C     3.5103    1.2931
            10  C1x C     2.8241    2.4862
            11  C1z C     0.0690    0.1103
            12  C1x C     1.4310   -0.6966
            13  C1y C     3.5138    2.0931
            14  C1y C     0.0621   -0.6793
            15  C1x C    -0.6172    0.5172
            16  C1a C     0.0655    0.9103
            17  C1a C     4.2034    2.4862
            18  C1y C    -0.6276   -1.0724
            19  C1x C    -1.3103    0.1241
            20  C1y C    -1.3172   -0.6690
            21  C1x C    -0.6276   -1.8690
            22  C1z C    -2.0069   -1.0690
            23  C2x C    -1.3241   -2.2621
            24  C2y C    -2.0103   -1.8621
            25  C1x C    -2.6931   -0.6690
            26  C1a C    -2.0138   -0.2690
            27  C1x C    -2.6931   -2.2586
            28  C1x C    -3.3862   -1.0690
            29  C1y C    -3.3862   -1.8621
            30  O1a O    -4.0759   -2.2586
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   13  17 1 #Up
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   24  27 1
            27   25  28 1
            28   27  29 1
            29   29  30 1 #Up
            30    6   8 1
            31   10  13 1
            32   12  14 1
            33   19  20 1
            34   23  24 2
            35   28  29 1


entry: C08919
name: --- - Yamogenin 3-O-neohesperidoside
formula: C39H62O12
kcf:
ATOM        51
            1   C1y C     3.6542  -14.9000
            2   C1y C     4.3488  -14.4823
            3   O2x O     3.6692  -15.7099
            4   C1y C     5.0619  -14.8806
            5   O1a O     4.3395  -13.6739
            6   C1y C     4.3750  -16.1037
            7   C1y C     5.0713  -15.6891
            8   O1a O     5.7536  -14.4648
            9   C1a C     4.3861  -16.9071
            10  O1a O     5.7759  -16.0796
            11  C1y C     2.2542  -13.2708
            12  C1y C     2.2441  -14.0789
            13  O2x O     1.5573  -12.8637
            14  O2a O     2.9421  -14.4908
            15  C1y C     1.5424  -14.4790
            16  C1y C     0.8509  -13.2570
            17  C1y C     0.8473  -14.0690
            18  O1a O     1.5320  -15.2878
            19  C1b C     0.1511  -12.8481
            20  O1a O     0.1388  -14.4658
            21  O1a O     0.1641  -12.0418
            22  C1z C     7.1783  -10.4658
            23  C1y C     7.8777  -10.0671
            24  C1y C     7.1680  -11.2617
            25  C1x C     6.4858  -10.0499
            26  C1a C     7.1749   -9.6553
            27  C1y C     8.5772  -10.4796
            28  C1y C     7.8777   -9.2600
            29  C1y C     6.4678  -11.6639
            30  C1x C     8.5565  -11.2866
            31  C1x C     5.7822  -10.4444
            32  O2x O     9.2732  -10.0706
            33  C1z C     9.2732   -9.2600
            34  C1a C     7.3135   -8.6889
            35  C1y C     5.7753  -11.2514
            36  C1x C     6.4678  -12.4710
            37  C1x C     9.9733   -9.6656
            38  O2x O     9.2732   -8.4496
            39  C1z C     5.0724  -11.6570
            40  C2x C     5.7684  -12.8690
            41  C1x C    10.6693   -9.2600
            42  C1x C     9.9767   -8.0551
            43  C2y C     5.0690  -12.4641
            44  C1x C     4.3764  -11.2480
            45  C1a C     5.0655  -10.8466
            46  C1y C    10.6727   -8.4530
            47  C1x C     4.3764  -12.8655
            48  C1x C     3.6805  -11.6570
            49  C1a C    11.3686   -8.0551
            50  C1y C     3.6805  -12.4641
            51  O2a O     2.9734  -12.8655
BOND        58
            1    12  14 1 #Down
            2    12  15 1
            3    13  16 1
            4    15  17 1
            5    15  18 1 #Up
            6    16  19 1 #Up
            7    17  20 1 #Down
            8    19  21 1
            9    16  17 1
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    2   5 1 #Down
            14    3   6 1
            15    4   7 1
            16    4   8 1 #Down
            17    6   9 1 #Down
            18    7  10 1 #Up
            19    6   7 1
            20   11  12 1
            21   11  13 1
            22   22  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   23  27 1
            27   23  28 1
            28   24  29 1
            29   24  30 1
            30   25  31 1
            31   27  32 1
            32   28  33 1
            33   28  34 1 #Down
            34   29  35 1
            35   29  36 1
            36   33  37 1
            37   33  38 1 #Down
            38   35  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   39  43 1
            43   39  44 1
            44   39  45 1 #Up
            45   41  46 1
            46   43  47 1
            47   44  48 1
            48   46  49 1 #Up
            49   47  50 1
            50   50  51 1 #Up
            51   27  30 1
            52   31  35 1
            53   32  33 1
            54   40  43 2
            55   42  46 1
            56   48  50 1
            57   11  51 1 #Up
            58    1  14 1 #Up


entry: C08920
name: --- - Abrusoside A
formula: C36H54O10
kcf:
ATOM        46
            1   C1y C     1.9042  -14.7000
            2   O2x O     1.2060  -14.2954
            3   C1y C     1.9013  -15.5114
            4   C1y C     0.5038  -14.6974
            5   C1y C     1.1942  -15.9147
            6   O1a O     2.5976  -15.9189
            7   C1y C     0.4979  -15.5070
            8   C1b C    -0.1986  -14.2863
            9   O1a O     1.1949  -16.7202
            10  O1a O    -0.2056  -15.9044
            11  O1a O    -0.1927  -13.4767
            12  C1z C     5.4267  -12.6793
            13  C1z C     4.7233  -13.0793
            14  C1y C     6.1198  -13.0862
            15  C1x C     4.7198  -12.2655
            16  C1x C     5.4336  -11.8690
            17  C1y C     4.7198  -13.8862
            18  C1x C     4.0233  -12.6759
            19  C1z C     6.8198  -12.6828
            20  C1x C     6.1198  -13.8931
            21  C1x C     6.1336  -11.4690
            22  C1z C     4.0233  -14.2931
            23  C1x C     5.4198  -14.2931
            24  C1x C     3.3267  -13.0793
            25  C1z C     6.8302  -11.8793
            26  C1x C     8.2129  -12.7000
            27  C1a C     6.8129  -13.4931
            28  C1y C     3.3267  -13.8862
            29  C6a C     4.4681  -15.1241
            30  C1a C     3.6129  -14.9862
            31  C1y C     7.5302  -11.4862
            32  C1a C     6.8267  -11.0690
            33  C1x C     8.2233  -11.8966
            34  O2a O     2.6233  -14.2931
            35  O6a O     5.4095  -15.1241
            36  O6a O     3.9957  -15.9379
            37  C1c C     7.5336  -10.6793
            38  C1y C     8.2336  -10.2793
            39  C1a C     6.8371  -10.2724
            40  O7x O     8.2336   -9.4724
            41  C1x C     8.9336  -10.6828
            42  C7x C     8.9371   -9.0690
            43  C2x C     9.6302  -10.2793
            44  C2y C     9.6302   -9.4724
            45  O7x O     8.9371   -8.2629
            46  C1a C    10.3336   -9.0690
BOND        52
            1     1   3 1
            2     2   4 1
            3     3   5 1
            4     3   6 1 #Down
            5     4   7 1
            6     4   8 1 #Up
            7     5   9 1 #Up
            8     7  10 1 #Down
            9     8  11 1
            10    5   7 1
            11    1   2 1
            12   12  13 1
            13   12  14 1
            14   12  15 1 #Up
            15   12  16 1
            16   13  17 1
            17   13  18 1
            18   14  19 1
            19   14  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1
            23   18  24 1
            24   19  25 1
            25   19  26 1
            26   19  27 1 #Down
            27   22  28 1
            28   22  29 1 #Down
            29   22  30 1 #Up
            30   25  31 1
            31   25  32 1 #Up
            32   26  33 1
            33   28  34 1 #Up
            34   29  35 1
            35   29  36 2
            36   31  37 1
            37   37  38 1
            38   37  39 1 #Down
            39   38  40 1
            40   38  41 1
            41   40  42 1
            42   41  43 1
            43   42  44 1
            44   42  45 2
            45   44  46 1
            46   13  15 1 #Up
            47   20  23 1
            48   21  25 1
            49   24  28 1
            50   31  33 1
            51   43  44 2
            52    1  34 1 #Up


entry: C08921
name: --- - Aescin - Escin
formula: C55H86O24
kcf:
ATOM        79
            1   C1y C    14.1708  -16.1416
            2   C1y C    14.1684  -16.9714
            3   O2x O    13.4394  -15.7309
            4   C1y C    13.4558  -17.3908
            5   O2a O    14.8938  -17.3787
            6   C1y C    12.7269  -16.1504
            7   C1y C    12.7387  -16.9844
            8   O1a O    13.4634  -18.2184
            9   C1y C    14.9025  -18.2029
            10  C6a C    12.0068  -15.7421
            11  O2a O    12.0146  -17.4019
            12  O2x O    14.1730  -18.6088
            13  C1y C    15.6109  -18.6244
            14  O6a O    11.9932  -14.9111
            15  O6a O    11.2838  -16.1644
            16  C1y C    11.3050  -17.8230
            17  C1y C    14.1585  -19.4317
            18  C1y C    15.5940  -19.4586
            19  O1a O    16.3369  -18.2246
            20  O2x O    10.5876  -17.3878
            21  C1y C    11.2965  -18.6494
            22  C1y C    14.8663  -19.8614
            23  C1b C    13.4309  -19.8345
            24  O1a O    16.3138  -19.8826
            25  C1y C     9.8661  -17.8020
            26  C1y C    10.5710  -19.0622
            27  O1a O    12.0047  -19.0715
            28  O1a O    14.8562  -20.6908
            29  C1y C     9.8569  -18.6367
            30  C1b C     9.1463  -17.3781
            31  O1a O    10.5649  -19.8846
            32  O1a O     9.1322  -19.0413
            33  O1a O     9.1517  -16.5500
            34  C1z C    20.6412  -13.2813
            35  C1y C    19.9302  -12.8601
            36  C1y C    21.3592  -12.8816
            37  C1y C    20.6343  -14.1056
            38  C1b C    21.3557  -13.6948
            39  C2y C    19.2122  -13.2599
            40  C1x C    19.9371  -12.0359
            41  C1y C    21.3661  -12.0539
            42  O7a O    22.0668  -13.3027
            43  C1x C    19.9087  -14.5087
            44  O1a O    20.6233  -14.9299
            45  O1a O    21.3523  -14.5191
            46  C1z C    19.1976  -14.0842
            47  C2x C    18.4901  -12.8388
            48  C1z C    20.6661  -11.6293
            49  O7a O    22.0847  -11.6293
            50  C7a C    22.7813  -12.8885
            51  C1z C    18.4797  -14.5053
            52  C1a C    19.1907  -14.9119
            53  C1x C    17.7686  -13.2530
            54  C1a C    20.8567  -11.0030
            55  C1a C    20.3555  -11.0030
            56  C7a C    22.0737  -10.8015
            57  C1a C    22.7778  -12.0608
            58  O7a O    23.4924  -13.3027
            59  C1y C    17.7686  -14.0807
            60  C1x C    18.4797  -15.3295
            61  C1a C    18.4694  -13.6630
            62  C2c C    22.7847  -10.3838
            63  O7a O    21.3557  -10.3942
            64  C1z C    17.0472  -14.4907
            65  C1x C    17.7583  -15.7397
            66  C2b C    22.7813   -9.5561
            67  C1a C    23.5069  -10.7905
            68  C1y C    17.0362  -15.3295
            69  C1x C    16.3251  -14.0773
            70  C1a C    17.0362  -13.6596
            71  C1a C    22.0634   -9.1553
            72  C1z C    16.3251  -15.7362
            73  C1x C    15.6071  -14.4907
            74  C1y C    15.6071  -15.3295
            75  C1b C    16.5412  -16.5432
            76  C1a C    16.1022  -16.5432
            77  O2a O    14.8892  -15.7362
            78  O1a O    17.1211  -17.1231
            79  O1a O    12.7240  -19.4092
BOND        86
            1     9  12 1
            2     9  13 1
            3    10  14 1
            4    10  15 2
            5    16  11 1 #Up
            6    12  17 1
            7    13  18 1
            8    13  19 1 #Down
            9    16  20 1
            10   16  21 1
            11   17  22 1
            12   17  23 1 #Up
            13   18  24 1 #Up
            14   20  25 1
            15   21  26 1
            16   21  27 1 #Down
            17   22  28 1 #Down
            18   25  29 1
            19   25  30 1 #Up
            20   26  31 1 #Up
            21   29  32 1 #Down
            22   30  33 1
            23    6   7 1
            24   18  22 1
            25   26  29 1
            26    1   2 1
            27    1   3 1
            28    2   4 1
            29    2   5 1 #Down
            30    3   6 1
            31    4   7 1
            32    4   8 1 #Up
            33    9   5 1 #Up
            34    6  10 1 #Up
            35    7  11 1 #Down
            36   34  35 1
            37   34  36 1
            38   34  37 1
            39   34  38 1 #Up
            40   35  39 1
            41   35  40 1
            42   36  41 1
            43   36  42 1 #Down
            44   37  43 1
            45   37  44 1 #Down
            46   38  45 1
            47   39  46 1
            48   39  47 2
            49   40  48 1
            50   41  49 1 #Up
            51   42  50 1
            52   46  51 1
            53   46  52 1 #Down
            54   47  53 1
            55   48  54 1
            56   48  55 1
            57   49  56 1
            58   50  57 1
            59   50  58 2
            60   51  59 1
            61   51  60 1
            62   51  61 1 #Up
            63   56  62 1
            64   56  63 2
            65   59  64 1
            66   60  65 1
            67   62  66 2
            68   62  67 1
            69   64  68 1
            70   64  69 1
            71   64  70 1 #Up
            72   66  71 1
            73   68  72 1
            74   69  73 1
            75   72  74 1
            76   72  75 1 #Up
            77   72  76 1 #Down
            78   74  77 1 #Up
            79   75  78 1
            80   41  48 1
            81   43  46 1
            82   53  59 1
            83   65  68 1
            84   73  74 1
            85    1  77 1 #Up
            86   23  79 1


entry: C08922
name: --- - Aridanin
formula: C38H61NO8
kcf:
ATOM        47
            1   C1y C     2.3542  -13.4250
            2   C1y C     2.3653  -14.2530
            3   O2x O     1.6271  -13.0225
            4   C1y C     1.6584  -14.6834
            5   N1b N     3.0939  -14.6526
            6   C1y C     0.9142  -13.4496
            7   C1y C     0.9314  -14.2809
            8   O1a O     1.6712  -15.5084
            9   C5a C     3.1145  -15.4779
            10  C1b C     0.1902  -13.0486
            11  O1a O     0.2215  -14.7096
            12  C1a C     3.8372  -15.8741
            13  O5a O     2.4093  -15.9053
            14  O1a O     0.1760  -12.2190
            15  C1z C     6.6560  -11.7891
            16  C1z C     7.3733  -11.3753
            17  C1y C     5.9422  -11.3650
            18  C1x C     6.6560  -12.6167
            19  C1a C     6.6491  -10.9546
            20  C2y C     7.3836  -10.5512
            21  C1x C     8.0836  -11.7995
            22  C1a C     7.3664  -12.1995
            23  C1z C     5.2216  -11.7788
            24  C1x C     5.9491  -10.5374
            25  C1x C     5.9353  -13.0236
            26  C1y C     8.1043  -10.1477
            27  C2x C     6.6698  -10.1339
            28  C1x C     8.8043  -11.3926
            29  C1y C     5.2181  -12.6098
            30  C1x C     4.5078  -11.3615
            31  C1a C     5.2147  -10.9512
            32  C1z C     8.8112  -10.5684
            33  C1x C     8.1147   -9.3270
            34  C1z C     4.5078  -13.0201
            35  C1x C     3.7871  -11.7788
            36  C1x C     9.5285  -10.1684
            37  C6a C     9.5216  -10.9822
            38  C1z C     8.8353   -8.9201
            39  C1y C     3.7871  -12.6098
            40  C1a C     4.0871  -13.7374
            41  C1a C     4.9147  -13.7374
            42  C1x C     9.5388   -9.3443
            43  O6a O     9.5147  -11.8133
            44  O6a O    10.2353  -10.5615
            45  C1a C     8.4112   -8.2064
            46  C1a C     9.2422   -8.2064
            47  O2a O     3.0733  -13.0201
BOND        52
            1     4   7 1
            2     4   8 1 #Up
            3     5   9 1
            4     6  10 1 #Up
            5     7  11 1 #Down
            6     9  12 1
            7     9  13 2
            8    10  14 1
            9     6   7 1
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    2   5 1 #Down
            14    3   6 1
            15   15  16 1
            16   15  17 1
            17   15  18 1
            18   15  19 1 #Up
            19   16  20 1
            20   16  21 1
            21   16  22 1 #Down
            22   17  23 1
            23   17  24 1
            24   18  25 1
            25   20  26 1
            26   20  27 2
            27   21  28 1
            28   23  29 1
            29   23  30 1
            30   23  31 1 #Up
            31   26  32 1
            32   26  33 1
            33   29  34 1
            34   30  35 1
            35   32  36 1
            36   32  37 1 #Up
            37   33  38 1
            38   34  39 1
            39   34  40 1
            40   34  41 1
            41   36  42 1
            42   37  43 2
            43   37  44 1
            44   38  45 1
            45   38  46 1
            46   39  47 1 #Up
            47   24  27 1
            48   25  29 1
            49   28  32 1
            50   35  39 1
            51   38  42 1
            52    1  47 1 #Up


entry: C08923
name: --- - Arvensoside A
formula: C48H78O18
kcf:
ATOM        66
            1   C1y C     1.4917  -17.3708
            2   O2x O     0.7715  -17.7949
            3   C1y C     2.2074  -17.7794
            4   C1y C     0.7766  -18.6220
            5   C1y C     2.2172  -18.6076
            6   O1a O     2.9210  -17.3590
            7   C1y C     1.5065  -19.0262
            8   C1b C     0.0659  -19.0405
            9   O1a O     2.9290  -19.0094
            10  O1a O     1.5012  -19.8423
            11  O1a O    -0.6528  -18.6337
            12  C1y C     2.1833  -14.4708
            13  C1y C     2.1973  -15.2965
            14  O2x O     1.4623  -14.0707
            15  C1y C     1.4901  -15.7220
            16  O1a O     2.9235  -15.6948
            17  C1y C     0.7537  -14.4915
            18  O2a O     1.4993  -16.5491
            19  C1y C     0.7622  -15.3268
            20  C1b C     0.0258  -14.0963
            21  O1a O     0.0567  -15.7493
            22  O1a O     0.0137  -13.2588
            23  C1z C     8.6249  -11.6164
            24  C1y C     7.9293  -11.2005
            25  C1x C     8.6214  -12.4411
            26  C7a C     9.3384  -12.0288
            27  C1x C     9.3453  -11.2185
            28  C2y C     7.2047  -11.5984
            29  C1x C     7.9328  -10.3759
            30  C1x C     7.8969  -12.8466
            31  O7a O    10.0518  -11.6129
            32  O7a O     9.3349  -12.8645
            33  C1x C     9.3564  -10.3939
            34  C1z C     7.1978  -12.4232
            35  C2x C     6.4947  -11.1826
            36  C1z C     8.6531   -9.9704
            37  C1y C    10.7689  -12.0219
            38  C1z C     6.4844  -12.8320
            39  C1a C     7.1833  -13.2444
            40  C1x C     5.7742  -11.5880
            41  C1a C     9.0586   -9.2534
            42  C1a C     8.2305   -9.2534
            43  O2x O    10.7902  -12.8466
            44  C1y C    11.4754  -11.5915
            45  C1y C     5.7742  -12.4163
            46  C1x C     6.4844  -13.6568
            47  C1a C     6.4733  -12.0039
            48  C1y C    11.5148  -13.2409
            49  C1y C    12.2035  -11.9859
            50  O1a O    11.4540  -10.7668
            51  C1z C     5.0462  -12.8286
            52  C1x C     5.7598  -14.0691
            53  C1y C    12.2214  -12.8141
            54  C1b C    11.5362  -14.0656
            55  O1a O    12.9059  -11.5522
            56  C1y C     5.0462  -13.6533
            57  C1x C     4.3362  -12.4128
            58  C1a C     5.0462  -12.0004
            59  O1a O    12.9529  -13.2085
            60  O1a O    10.8337  -14.4995
            61  C1z C     4.3362  -14.0656
            62  C1x C     3.6193  -12.8286
            63  C1y C     3.6193  -13.6533
            64  C1a C     4.7451  -14.7827
            65  C1a C     3.9135  -14.7827
            66  O2a O     2.9023  -14.0656
BOND        73
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1 #Up
            9     7  10 1 #Up
            10    8  11 1
            11   12  13 1
            12   12  14 1
            13   13  15 1
            14   13  16 1 #Down
            15   14  17 1
            16   15  18 1 #Up
            17   15  19 1
            18   17  20 1 #Up
            19   19  21 1 #Down
            20   20  22 1
            21   17  19 1
            22    5   7 1
            23   23  24 1
            24   23  25 1
            25   23  26 1 #Up
            26   23  27 1
            27   24  28 1
            28   24  29 1
            29   25  30 1
            30   26  31 1
            31   26  32 2
            32   27  33 1
            33   28  34 1
            34   28  35 2
            35   29  36 1
            36   37  31 1 #Up
            37   34  38 1
            38   34  39 1 #Down
            39   35  40 1
            40   36  41 1
            41   36  42 1
            42   37  43 1
            43   37  44 1
            44   38  45 1
            45   38  46 1
            46   38  47 1 #Up
            47   43  48 1
            48   44  49 1
            49   44  50 1 #Down
            50   45  51 1
            51   46  52 1
            52   48  53 1
            53   48  54 1 #Up
            54   49  55 1 #Up
            55   51  56 1
            56   51  57 1
            57   51  58 1 #Up
            58   53  59 1 #Down
            59   54  60 1
            60   56  61 1
            61   57  62 1
            62   61  63 1
            63   61  64 1
            64   61  65 1
            65   63  66 1 #Up
            66   30  34 1
            67   33  36 1
            68   40  45 1
            69   49  53 1
            70   52  56 1
            71   62  63 1
            72   12  66 1 #Up
            73    1  18 1 #Up


entry: C08924
name: --- - Astragaloside III
formula: C41H68O14
kcf:
ATOM        55
            1   C1y C    13.4042  -15.7958
            2   C1y C    13.3955  -16.6142
            3   O2x O    12.6925  -15.3910
            4   O2a O    14.1031  -17.0232
            5   C1y C    12.6921  -17.0206
            6   C1x C    11.9827  -15.7961
            7   C1y C    14.1090  -17.8451
            8   C1y C    11.9863  -16.6087
            9   O1a O    12.6873  -17.8323
            10  O2x O    13.3960  -18.2354
            11  C1y C    14.8054  -18.2554
            12  O1a O    11.2787  -17.0142
            13  C1y C    13.3774  -19.0517
            14  C1y C    14.7912  -19.0696
            15  O1a O    15.5136  -17.8584
            16  C1y C    14.0797  -19.4697
            17  C1b C    12.6626  -19.4491
            18  O1a O    15.4900  -19.4934
            19  O1a O    14.0667  -20.2886
            20  C1y C    19.9918  -10.9220
            21  C1d C    20.5597  -10.3484
            22  C1z C    19.1650  -11.9538
            23  O2x O    19.9526  -11.7378
            24  C1x C    19.2284  -10.6315
            25  C1x C    18.7148  -11.2675
            26  C1z C    17.0246  -13.9565
            27  C1z C    16.3190  -14.3690
            28  C1y C    17.7198  -14.3759
            29  C1x C    16.3121  -13.5523
            30  C1x C    17.0315  -13.1432
            31  C1y C    16.3155  -15.1857
            32  C1x C    15.6168  -13.9565
            33  C1z C    18.4337  -13.9668
            34  C1x C    17.7198  -15.1926
            35  C1x C    17.7378  -12.7495
            36  C1y C    17.0177  -15.5898
            37  C1z C    15.6168  -15.5863
            38  C1x C    14.9036  -14.3690
            39  C1z C    18.4441  -13.1612
            40  C1x C    19.8380  -13.9883
            41  C1a C    18.4234  -14.7801
            42  O1a O    17.0108  -16.4030
            43  C1y C    14.9036  -15.1857
            44  C1a C    15.3947  -16.3789
            45  C1a C    15.8210  -16.3789
            46  C1y C    19.1531  -12.7632
            47  C1a C    18.4372  -12.3445
            48  C1y C    19.8484  -13.1784
            49  O2a O    14.2014  -15.5863
            50  O1a O    20.5616  -12.7805
            51  C1a C    18.4510  -11.5348
            52  C1a C    21.1375   -9.7583
            53  O1a O    21.3500  -10.5542
            54  C1a C    20.3417   -9.5500
            55  O1a O    11.9549  -19.0251
BOND        62
            1     7  11 1
            2     8  12 1 #Down
            3    10  13 1
            4    11  14 1
            5    11  15 1 #Down
            6    13  16 1
            7    13  17 1 #Up
            8    14  18 1 #Up
            9    16  19 1 #Down
            10    6   8 1
            11   14  16 1
            12    1   2 1
            13   20  21 1 #Up
            14    1   3 1
            15    2   4 1 #Down
            16    2   5 1
            17    3   6 1
            18   22  23 1
            19   23  20 1
            20   20  24 1
            21   24  25 1
            22   25  22 1
            23    7   4 1 #Up
            24   26  27 1
            25   26  28 1
            26   26  29 1 #Up
            27   26  30 1
            28   27  31 1
            29   27  32 1
            30   28  33 1
            31   28  34 1
            32   30  35 1
            33   31  36 1
            34   31  37 1
            35   32  38 1
            36   33  39 1
            37   33  40 1
            38   33  41 1 #Down
            39   36  42 1 #Down
            40   37  43 1
            41   37  44 1
            42   37  45 1
            43   39  46 1
            44   39  47 1 #Up
            45   40  48 1
            46   43  49 1 #Up
            47   46  22 1
            48   48  50 1 #Up
            49   22  51 1 #Down
            50   27  29 1 #Up
            51   34  36 1
            52   35  39 1
            53   38  43 1
            54   46  48 1
            55    5   8 1
            56   21  52 1
            57    5   9 1 #Up
            58   21  53 1
            59    7  10 1
            60   21  54 1
            61    1  49 1 #Up
            62   17  55 1


entry: C08925
name: --- - Astrasieversianin XVI
formula: C47H78O18
kcf:
ATOM        65
            1   C1y C    12.8562  -15.7728
            2   C1y C    12.8682  -16.5936
            3   O2x O    12.1417  -15.3691
            4   O2a O    13.5827  -16.9974
            5   C1y C    12.1581  -17.0102
            6   C1x C    11.4375  -15.7891
            7   C1y C    13.5700  -17.8199
            8   C1y C    11.4435  -16.6064
            9   O1a O    12.1701  -17.8309
            10  C1y C    14.2772  -18.2433
            11  O2x O    12.8559  -18.2223
            12  O1a O    10.7394  -17.0263
            13  C1y C    14.2631  -19.0611
            14  O1a O    14.9942  -17.8425
            15  C1y C    12.8431  -19.0448
            16  C1y C    13.5461  -19.4619
            17  O1a O    14.9703  -19.4845
            18  C1a C    12.1325  -19.4343
            19  O1a O    13.5403  -20.2860
            20  C1z C    18.5649  -11.7121
            21  O2x O    19.3567  -11.4961
            22  C1y C    19.3960  -10.6762
            23  C1x C    18.6284  -10.3857
            24  C1x C    18.1147  -11.0258
            25  C1z C    16.4161  -13.7325
            26  C1z C    15.7023  -14.1429
            27  C1y C    17.1264  -14.1498
            28  C1x C    15.7023  -13.3222
            29  C1x C    16.4230  -12.9119
            30  C1y C    15.6988  -14.9636
            31  C1x C    14.9954  -13.7291
            32  C1z C    17.8333  -13.7394
            33  C1x C    17.1264  -14.9670
            34  C1x C    17.1402  -12.5119
            35  C1y C    16.4126  -15.3739
            36  C1z C    14.9954  -15.3705
            37  C1x C    14.2850  -14.1429
            38  C1z C    17.8436  -12.9256
            39  C1x C    19.2471  -13.7567
            40  C1a C    17.8264  -14.5567
            41  O2a O    16.4126  -16.1981
            42  C1y C    14.2850  -14.9636
            43  C1a C    14.4092  -15.9498
            44  C1y C    18.5540  -12.5291
            45  C1a C    17.8367  -12.1050
            46  C1y C    19.2574  -12.9429
            47  C1y C    17.1264  -16.6084
            48  O2a O    13.5747  -15.3705
            49  O1a O    19.9712  -12.5429
            50  O2x O    17.1299  -17.4257
            51  C1y C    17.8333  -16.1981
            52  C1a C    17.8505  -11.2912
            53  C1y C    17.8402  -17.8325
            54  C1y C    18.5436  -16.6050
            55  O1a O    17.8299  -15.3774
            56  C1y C    18.5436  -17.4257
            57  C1b C    17.8402  -18.6532
            58  O1a O    19.2505  -16.1946
            59  O1a O    19.2574  -17.8291
            60  C1a C    15.2041  -16.1625
            61  C1d C    20.1083  -10.2583
            62  C1a C    20.8208   -9.8416
            63  O1a O    20.9041  -10.4708
            64  C1a C    20.1041   -9.4333
            65  O1a O    17.1258  -19.0657
BOND        73
            1     1   3 1
            2     2   4 1 #Down
            3     2   5 1
            4    20  21 1
            5    21  22 1
            6    22  23 1
            7    23  24 1
            8    24  20 1
            9     3   6 1
            10    7   4 1 #Up
            11    5   8 1
            12    5   9 1 #Up
            13    7  10 1
            14    7  11 1
            15    8  12 1 #Down
            16   10  13 1
            17   10  14 1 #Down
            18   11  15 1
            19   13  16 1
            20   13  17 1 #Down
            21   15  18 1 #Down
            22   25  26 1
            23   25  27 1
            24   25  28 1 #Up
            25   25  29 1
            26   26  30 1
            27   26  31 1
            28   27  32 1
            29   27  33 1
            30   29  34 1
            31   30  35 1
            32   30  36 1
            33   31  37 1
            34   32  38 1
            35   32  39 1
            36   32  40 1 #Down
            37   35  41 1 #Down
            38   36  42 1
            39   36  43 1
            40   38  44 1
            41   38  45 1 #Up
            42   39  46 1
            43   47  41 1 #Up
            44   42  48 1 #Up
            45   44  20 1
            46   46  49 1 #Up
            47   47  50 1
            48   47  51 1
            49   20  52 1 #Down
            50   50  53 1
            51   51  54 1
            52   51  55 1 #Down
            53   53  56 1
            54   53  57 1 #Up
            55   54  58 1 #Up
            56   56  59 1 #Down
            57   26  28 1 #Up
            58   33  35 1
            59   34  38 1
            60   37  42 1
            61   44  46 1
            62   54  56 1
            63   16  19 1 #Up
            64   36  60 1
            65    6   8 1
            66   22  61 1 #Up
            67   15  16 1
            68   61  62 1
            69   61  63 1
            70    1   2 1
            71   61  64 1
            72    1  48 1 #Up
            73   57  65 1


entry: C08926
name: --- - Avenacin A-1
formula: C55H83NO21
kcf:
ATOM        77
            1   C1y C    10.5833  -16.2125
            2   O2x O     9.8780  -15.7892
            3   C1y C    10.5757  -17.0458
            4   C1y C     9.1423  -16.1967
            5   C1y C     9.8539  -17.4481
            6   O1a O    11.2810  -17.4647
            7   C1y C     9.1340  -17.0304
            8   C1b C     8.4380  -15.7725
            9   O1a O     9.8373  -18.2737
            10  O1a O     8.4152  -17.4269
            11  O1a O     8.4442  -14.9438
            12  C1y C    13.4118  -14.5370
            13  C1y C    13.4267  -15.3615
            14  O2x O    12.6898  -14.1351
            15  C1y C    12.7218  -15.7853
            16  O2a O    14.1519  -15.7607
            17  C1x C    11.9788  -14.5599
            18  C1y C    12.0007  -15.3888
            19  O1a O    12.7367  -16.6097
            20  C1y C    14.1617  -16.5784
            21  O2a O    11.2971  -15.8090
            22  O2x O    13.4558  -17.0099
            23  C1y C    14.8871  -16.9750
            24  C1y C    13.4707  -17.8342
            25  C1y C    14.9096  -17.8083
            26  O1a O    15.5997  -16.5472
            27  C1y C    14.1975  -18.2306
            28  C1b C    12.7675  -18.2552
            29  O1a O    15.6324  -18.1976
            30  O1a O    14.2123  -19.0550
            31  C1z C    18.5014  -11.8737
            32  C1y C    17.7895  -11.4531
            33  C1z C    18.4945  -12.6927
            34  C1y C    19.2176  -11.4635
            35  O2x O    18.4945  -11.0402
            36  C1x C    17.0741  -11.8557
            37  C1z C    17.7826  -13.1014
            38  C1x C    19.1996  -13.1049
            39  C1a C    18.4842  -13.5151
            40  C1z C    19.9260  -11.8917
            41  C1x C    19.2279  -10.6445
            42  C1y C    17.0741  -12.6781
            43  C1x C    17.7826  -13.9238
            44  C1a C    17.7681  -12.2686
            45  C1y C    19.9150  -12.7065
            46  C1x C    20.6421  -11.4926
            47  C1a C    19.9150  -11.0616
            48  C1z C    19.9432  -10.2427
            49  C1z C    16.3512  -13.0911
            50  C1x C    17.0596  -14.3341
            51  O1a O    20.6241  -13.1228
            52  C1y C    20.6525  -10.6625
            53  C1a C    19.5310   -9.5273
            54  C4a C    20.3507   -9.5210
            55  C1y C    16.3477  -13.9169
            56  C1x C    15.6358  -12.6781
            57  C1a C    16.3443  -12.2611
            58  O7a O    21.3720  -10.2607
            59  C1z C    15.6358  -14.3264
            60  C1x C    14.9163  -13.0911
            61  C7a C    22.0805  -10.6839
            62  C1y C    14.9163  -13.9169
            63  C1b C    15.8619  -15.1301
            64  C1a C    15.2186  -15.0426
            65  C8y C    22.7958  -10.2820
            66  O7a O    22.0728  -11.5139
            67  O2a O    14.2078  -14.3264
            68  C8y C    23.5112  -10.6949
            69  C8x C    22.7958   -9.4561
            70  C8x C    24.2307  -10.2820
            71  N1b N    23.5112  -11.5208
            72  C8x C    23.5147   -9.0501
            73  C8x C    24.2307   -9.4596
            74  C1a C    22.7848  -11.9303
            75  O4a O    20.0108   -8.7775
            76  O1a O    16.6208  -15.6250
            77  O1a O    12.0466  -17.8541
BOND        86
            1    14  17 1
            2    15  18 1
            3    15  19 1 #Up
            4    20  16 1 #Up
            5    18  21 1 #Up
            6    20  22 1
            7    20  23 1
            8    22  24 1
            9    23  25 1
            10   23  26 1 #Down
            11   24  27 1
            12   24  28 1 #Up
            13   25  29 1 #Up
            14   27  30 1 #Down
            15   17  18 1
            16   25  27 1
            17    5   9 1 #Up
            18    7  10 1 #Down
            19    8  11 1
            20    5   7 1
            21    1   2 1
            22    1   3 1
            23    2   4 1
            24    3   5 1
            25    3   6 1 #Down
            26    4   7 1
            27    4   8 1 #Up
            28   12  13 1
            29   12  14 1
            30   13  15 1
            31   31  32 1
            32   31  33 1
            33   31  34 1
            34   31  35 1 #Up
            35   32  36 1
            36   33  37 1
            37   33  38 1
            38   33  39 1 #Down
            39   34  40 1
            40   34  41 1
            41   36  42 1
            42   37  43 1
            43   37  44 1 #Up
            44   38  45 1
            45   40  46 1
            46   40  47 1 #Up
            47   41  48 1
            48   42  49 1
            49   43  50 1
            50   45  51 1 #Up
            51   46  52 1
            52   48  53 1 #Down
            53   48  54 1 #Up
            54   49  55 1
            55   49  56 1
            56   49  57 1 #Up
            57   52  58 1 #Up
            58   55  59 1
            59   56  60 1
            60   58  61 1
            61   59  62 1
            62   59  63 1 #Down
            63   59  64 1 #Up
            64   61  65 1
            65   61  66 2
            66   62  67 1 #Up
            67   65  68 1
            68   65  69 2
            69   68  70 2
            70   68  71 1
            71   69  72 1
            72   70  73 1
            73   71  74 1
            74   32  35 1 #Up
            75   37  42 1
            76   40  45 1
            77   48  52 1
            78   50  55 1
            79   60  62 1
            80   72  73 2
            81   12  67 1 #Up
            82    1  21 1 #Up
            83   13  16 1 #Down
            84   54  75 2
            85   63  76 1
            86   28  77 1


entry: C08927
name: --- - Avenacin B-2
formula: C54H80O20
kcf:
ATOM        74
            1   C1y C    10.5877  -16.3720
            2   O2x O     9.8672  -15.9576
            3   C1y C    10.5863  -17.2043
            4   C1y C     9.1412  -16.3745
            5   C1y C     9.8679  -17.6200
            6   O1a O    11.3025  -17.6261
            7   C1y C     9.1427  -17.2050
            8   C1b C     8.4301  -15.9545
            9   O1a O     9.8611  -18.4512
            10  O1a O     8.4242  -17.6207
            11  O1a O     8.4217  -15.1194
            12  C1y C    13.4375  -14.6583
            13  C1y C    13.4557  -15.4981
            14  O2x O    12.7048  -14.2681
            15  C1y C    12.7518  -15.9283
            16  O2a O    14.1775  -15.8933
            17  C1x C    11.9994  -14.7014
            18  C1y C    12.0192  -15.5294
            19  O1a O    12.7723  -16.7568
            20  C1y C    14.1980  -16.7218
            21  O2a O    11.3070  -15.9677
            22  O2x O    13.5011  -17.1614
            23  C1y C    14.9311  -17.1044
            24  C1y C    13.5310  -17.9871
            25  C1y C    14.9636  -17.9394
            26  O1a O    15.6496  -16.6634
            27  C1y C    14.2647  -18.3826
            28  C1b C    12.8261  -18.4334
            29  O1a O    15.6970  -18.3285
            30  O1a O    14.2929  -19.2114
            31  C1z C    18.4664  -11.7757
            32  C1y C    17.7502  -11.3586
            33  C1z C    18.4595  -12.5988
            34  C1y C    19.1859  -11.3731
            35  O2x O    18.4629  -10.9456
            36  C1x C    17.0308  -11.7688
            37  C1z C    17.7433  -13.0117
            38  C1x C    19.1645  -13.0262
            39  C1a C    18.4526  -13.4288
            40  C1z C    19.8951  -11.7936
            41  C1x C    19.1928  -10.5499
            42  C1y C    17.0308  -12.5954
            43  C1x C    17.7433  -13.8425
            44  C1a C    17.7289  -12.1818
            45  C1y C    19.8841  -12.6203
            46  C1x C    20.6153  -11.3945
            47  C1a C    19.8841  -10.9636
            48  C1z C    19.9124  -10.1474
            49  C1z C    16.3036  -13.0049
            50  C1x C    17.0163  -14.2519
            51  O1a O    20.6009  -13.0476
            52  C1y C    20.6257  -10.5679
            53  C1a C    19.5002   -9.4203
            54  C4a C    20.3321   -9.4143
            55  C1y C    16.3001  -13.8349
            56  C1x C    15.5841  -12.5954
            57  C1a C    16.2967  -12.1783
            58  O7a O    21.3564  -10.1654
            59  C1z C    15.5841  -14.2519
            60  C1x C    14.8680  -13.0049
            61  C7a C    22.0724  -10.5782
            62  C1y C    14.8680  -13.8349
            63  C1a C    15.9144  -15.0098
            64  C1a C    15.1711  -14.9681
            65  C8y C    22.7850  -10.1654
            66  O7a O    22.0655  -11.4125
            67  O2a O    14.1512  -14.2519
            68  C8x C    23.5012  -10.5782
            69  C8x C    22.7850   -9.3388
            70  C8x C    24.2249  -10.1654
            71  C8x C    23.5087   -8.9217
            72  C8x C    24.2249   -9.3388
            73  O4a O    20.0098   -8.6587
            74  O1a O    12.0903  -18.0524
BOND        83
            1    12  14 1
            2    13  15 1
            3    13  16 1 #Down
            4    14  17 1
            5    15  18 1
            6    15  19 1 #Up
            7    20  16 1 #Up
            8    18  21 1 #Up
            9    20  22 1
            10   20  23 1
            11   22  24 1
            12   23  25 1
            13   23  26 1 #Down
            14   24  27 1
            15   24  28 1 #Up
            16   25  29 1 #Up
            17   27  30 1 #Down
            18   17  18 1
            19   25  27 1
            20    5   9 1 #Up
            21    7  10 1 #Down
            22    8  11 1
            23    5   7 1
            24    1   2 1
            25    1   3 1
            26    2   4 1
            27    3   5 1
            28    3   6 1 #Down
            29    4   7 1
            30    4   8 1 #Up
            31   31  32 1
            32   31  33 1
            33   31  34 1
            34   31  35 1 #Up
            35   32  36 1
            36   33  37 1
            37   33  38 1
            38   33  39 1 #Down
            39   34  40 1
            40   34  41 1
            41   36  42 1
            42   37  43 1
            43   37  44 1 #Up
            44   38  45 1
            45   40  46 1
            46   40  47 1 #Up
            47   41  48 1
            48   42  49 1
            49   43  50 1
            50   45  51 1 #Up
            51   46  52 1
            52   48  53 1 #Down
            53   48  54 1 #Up
            54   49  55 1
            55   49  56 1
            56   49  57 1 #Up
            57   52  58 1 #Up
            58   55  59 1
            59   56  60 1
            60   58  61 1
            61   59  62 1
            62   59  63 1
            63   59  64 1
            64   61  65 1
            65   61  66 2
            66   62  67 1 #Up
            67   65  68 1
            68   65  69 2
            69   68  70 2
            70   69  71 1
            71   70  72 1
            72   32  35 1 #Up
            73   37  42 1
            74   40  45 1
            75   48  52 1
            76   50  55 1
            77   60  62 1
            78   71  72 2
            79   12  67 1 #Up
            80    1  21 1 #Up
            81   12  13 1
            82   54  73 2
            83   28  74 1


entry: C08928
name: --- - Mulberrofuran C
formula: C34H28O9
kcf:
ATOM        43
            1   C1y C     0.9034   -0.8069
            2   C1y C     1.3379   -0.1000
            3   C8y C     0.0759   -0.7828
            4   C2x C     1.2966   -1.5379
            5   C1y C     2.1655   -0.1241
            6   C5a C     1.3379    0.7241
            7   C8y C    -0.3448   -1.5000
            8   C8y C    -0.3379   -0.0621
            9   C2y C     2.1207   -1.5586
            10  C8y C     2.8828    0.2828
            11  C1x C     2.5586   -0.8552
            12  C8y C     0.4862    1.3069
            13  O5a O     2.0517    1.1379
            14  C8x C    -1.1759   -1.4966
            15  O1a O     0.0552   -2.1241
            16  C8x C    -1.1690   -0.0586
            17  O1a O     0.2586    0.5586
            18  C1a C     2.5172   -2.2897
            19  C8y C     3.5931   -0.1276
            20  C8x C     2.8828    1.1069
            21  C8y C     0.4931    2.1310
            22  C8x C    -0.2207    0.8931
            23  C8y C    -1.5793   -0.7759
            24  C8x C     4.3069    0.2828
            25  O1a O     3.5931   -0.9517
            26  C8x C     3.5966    1.5207
            27  C8x C    -0.2207    2.5448
            28  O1a O     1.2103    2.5414
            29  C8x C    -0.9345    1.3035
            30  C8y C    -2.4103   -0.7724
            31  C8y C     4.3069    1.1069
            32  C8y C    -0.9345    2.1310
            33  C8x C    -2.8966   -0.0966
            34  O2x O    -2.9035   -1.4414
            35  O1a O     5.0276    1.5207
            36  O1a O    -1.6517    2.5483
            37  C8y C    -3.6897   -0.3517
            38  C8y C    -3.6931   -1.1828
            39  C8x C    -4.4034    0.0655
            40  C8x C    -4.4034   -1.5931
            41  C8x C    -5.1241   -0.3517
            42  C8y C    -5.1241   -1.1828
            43  O1a O    -5.8448   -1.5931
BOND        48
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 1 #Down
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17    9  18 1
            18   10  19 2
            19   10  20 1
            20   12  21 2
            21   12  22 1
            22   14  23 1
            23   19  24 1
            24   19  25 1
            25   20  26 2
            26   21  27 1
            27   21  28 1
            28   22  29 2
            29   23  30 1
            30   24  31 2
            31   27  32 2
            32   30  33 2
            33   30  34 1
            34   31  35 1
            35   32  36 1
            36   33  37 1
            37   34  38 1
            38   37  39 1
            39   38  40 1
            40   39  41 2
            41   40  42 2
            42   42  43 1
            43    9  11 1
            44   16  23 2
            45   26  31 1
            46   29  32 1
            47   37  38 2
            48   41  42 1


entry: C08929
name: --- - alpha-Pyrufuran
formula: C15H14O5
kcf:
ATOM        20
            1   C8y C    -0.0379    0.4552
            2   C8y C    -0.0414   -0.3310
            3   C8y C    -1.4000    0.4586
            4   C8y C     0.6483    0.8448
            5   C8y C     0.6379   -0.7310
            6   O2x O    -0.7172   -0.7310
            7   C8y C    -1.4034   -0.3310
            8   C8x C    -2.0690    0.8759
            9   C8y C     1.3276    0.4448
            10  O2a O     0.6552    1.6310
            11  C8y C     1.3241   -0.3414
            12  O2a O     0.6310   -1.5552
            13  C8x C    -2.1138   -0.7034
            14  C8x C    -2.7655    0.4966
            15  O1a O     2.0448    0.8517
            16  C1a C    -0.0586    2.0483
            17  O2a O     2.0345   -0.7586
            18  C1a C     1.3414   -1.9759
            19  C8x C    -2.7897   -0.2966
            20  C1a C     2.7517   -0.3517
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   10  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 2
            19   17  20 1
            20    6   7 1
            21    9  11 1
            22   14  19 1


entry: C08930
name: --- - Azukisaponin III
formula: C42H66O15
kcf:
ATOM        57
            1   C1y C    13.8917  -15.9917
            2   C1y C    13.9099  -16.8195
            3   O2x O    13.1613  -15.5953
            4   O2a O    14.6403  -17.2160
            5   C1y C    13.2066  -17.2559
            6   C1y C    12.4552  -16.0301
            7   C1y C    14.6618  -18.0378
            8   C1y C    12.4762  -16.8596
            9   O1a O    13.2278  -18.0855
            10  C6a C    11.7247  -15.6337
            11  O2x O    13.9571  -18.4695
            12  C1y C    15.3921  -18.4342
            13  O1a O    11.7700  -17.2944
            14  O6a O    11.7019  -14.8072
            15  O6a O    11.0214  -16.0701
            16  C1y C    13.9783  -19.2990
            17  C1y C    15.4072  -19.2603
            18  O1a O    16.1014  -18.0011
            19  C1y C    14.7026  -19.6921
            20  C1b C    13.2707  -19.7291
            21  O1a O    16.1406  -19.6584
            22  O1a O    14.7269  -20.5233
            23  C1y C    17.4808  -13.9252
            24  C1z C    18.1946  -14.3493
            25  C1z C    16.7670  -14.3390
            26  C1x C    17.4877  -13.1011
            27  C1z C    18.9118  -13.9356
            28  C1x C    18.1946  -15.1769
            29  C1a C    18.1877  -13.5149
            30  C1y C    16.7636  -15.1700
            31  C1x C    16.0498  -13.9252
            32  C1a C    16.7601  -13.5114
            33  C2x C    18.2084  -12.6942
            34  C2y C    18.9222  -13.1114
            35  C1x C    19.6222  -14.3597
            36  C1a C    18.9050  -14.7597
            37  C1x C    17.4739  -15.5838
            38  C1z C    16.0498  -15.5804
            39  C1x C    15.3291  -14.3390
            40  C1y C    19.6429  -12.7114
            41  C1x C    20.3429  -13.9528
            42  C1y C    15.3291  -15.1700
            43  C1b C    16.2601  -16.3804
            44  C1a C    15.6256  -16.2976
            45  C1z C    20.3498  -13.1287
            46  C1x C    19.6532  -11.8873
            47  O2a O    14.6118  -15.5838
            48  C1x C    21.0705  -12.7287
            49  C1a C    20.3429  -12.2976
            50  C1z C    20.3739  -11.4838
            51  C1x C    21.0808  -11.9045
            52  C1a C    19.9498  -10.7597
            53  C6a C    20.7808  -10.7597
            54  O6a O    20.5625   -9.9584
            55  O6a O    21.6042  -10.7584
            56  O1a O    16.6667  -17.0917
            57  O1a O    12.5471  -19.3328
BOND        63
            1     8  13 1 #Down
            2    10  14 1
            3    10  15 2
            4    11  16 1
            5    12  17 1
            6    12  18 1 #Down
            7    16  19 1
            8    16  20 1 #Up
            9    17  21 1 #Up
            10   19  22 1 #Down
            11    6   8 1
            12   17  19 1
            13    1   2 1
            14    1   3 1
            15    2   4 1 #Down
            16    2   5 1
            17    3   6 1
            18    7   4 1 #Up
            19    5   8 1
            20    5   9 1 #Up
            21    6  10 1 #Up
            22   23  24 1
            23   23  25 1
            24   23  26 1
            25   24  27 1
            26   24  28 1
            27   24  29 1 #Up
            28   25  30 1
            29   25  31 1
            30   25  32 1 #Up
            31   26  33 1
            32   27  34 1
            33   27  35 1
            34   27  36 1 #Down
            35   28  37 1
            36   30  38 1
            37   31  39 1
            38   34  40 1
            39   35  41 1
            40   38  42 1
            41   38  43 1 #Up
            42   38  44 1 #Down
            43   40  45 1
            44   40  46 1
            45   42  47 1 #Up
            46   45  48 1
            47   45  49 1 #Up
            48   46  50 1
            49   48  51 1
            50   50  52 1 #Up
            51   50  53 1 #Down
            52   30  37 1
            53   33  34 2
            54   39  42 1
            55   41  45 1
            56   50  51 1
            57    1  47 1 #Up
            58    7  11 1
            59   53  54 2
            60    7  12 1
            61   53  55 1
            62   43  56 1
            63   20  57 1


entry: C08931
name: --- - Barringtogenol C
formula: C30H50O5
kcf:
ATOM        35
            1   C1z C     7.2074  -11.6367
            2   C1y C     6.5005  -11.2161
            3   C1y C     7.2005  -12.4574
            4   C1y C     7.9212  -11.2367
            5   C2y C     5.7799  -11.6161
            6   C1x C     6.5109  -10.3919
            7   C1x C     6.4799  -12.8643
            8   C1y C     7.9350  -10.4126
            9   O1a O     8.6350  -11.6574
            10  C1z C     5.7695  -12.4402
            11  C2x C     5.0661  -11.1988
            12  C1z C     7.2316   -9.9885
            13  O1a O     8.6592  -10.0057
            14  C1z C     5.0523  -12.8540
            15  C1a C     5.7626  -13.2678
            16  C1x C     4.3454  -11.6057
            17  C1a C     6.8074   -9.2678
            18  C1a C     7.6385   -9.2678
            19  C1y C     4.3385  -12.4333
            20  C1x C     5.0523  -13.6816
            21  C1a C     5.0454  -12.0195
            22  C1z C     3.6178  -12.8471
            23  C1x C     4.3316  -14.0919
            24  C1y C     3.6143  -13.6747
            25  C1x C     2.9040  -12.4299
            26  C1a C     3.6109  -12.0161
            27  C1z C     2.9040  -14.0885
            28  C1x C     2.1867  -12.8471
            29  C1y C     2.1867  -13.6747
            30  C1a C     2.4833  -14.8057
            31  C1a C     3.3109  -14.7988
            32  O1a O     1.4695  -14.0885
            33  O1a O     7.1958  -13.2792
            34  C1b C     7.9167  -12.0458
            35  O1a O     7.9125  -12.8708
BOND        39
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     4   8 1
            6     4   9 1 #Down
            7     5  10 1
            8     5  11 2
            9     6  12 1
            10    8  13 1 #Up
            11   10  14 1
            12   10  15 1 #Down
            13   11  16 1
            14   12  17 1
            15   12  18 1
            16   14  19 1
            17   14  20 1
            18   14  21 1 #Up
            19   19  22 1
            20   20  23 1
            21   22  24 1
            22   22  25 1
            23   22  26 1 #Up
            24   24  27 1
            25   25  28 1
            26   27  29 1
            27   27  30 1
            28   27  31 1
            29   29  32 1 #Up
            30    7  10 1
            31    8  12 1
            32   16  19 1
            33   23  24 1
            34   28  29 1
            35    3  33 1 #Down
            36    1   2 1
            37    1  34 1 #Up
            38    1   3 1
            39   34  35 1


entry: C08932
name: --- - Bayogenin 3-O-cellobioside
formula: C42H68O15
kcf:
ATOM        57
            1   C1y C    12.0153  -16.9155
            2   O2x O    11.2918  -16.5057
            3   C1y C    12.0185  -17.7466
            4   C1y C    10.5697  -16.9239
            5   C1y C    11.2993  -18.1631
            6   O1a O    12.7343  -18.1568
            7   C1y C    10.5776  -17.7562
            8   C1b C     9.8569  -16.5119
            9   O1a O    11.3025  -18.9940
            10  O1a O     9.8709  -18.1736
            11  O1a O     9.8536  -15.6809
            12  C1y C    14.8833  -15.2458
            13  O2x O    14.1651  -14.8348
            14  C1y C    14.8858  -16.0756
            15  C1y C    13.4445  -15.2548
            16  C1y C    14.1699  -16.4943
            17  O1a O    15.6040  -16.4867
            18  C1y C    13.4516  -16.0833
            19  C1b C    12.7262  -14.8436
            20  O1a O    14.1757  -17.3181
            21  O2a O    12.7328  -16.5003
            22  O1a O    12.7238  -14.0139
            23  C1z C    19.1916  -13.6064
            24  C1z C    19.9088  -13.1926
            25  C1y C    18.4778  -13.1857
            26  C1x C    19.1916  -14.4339
            27  C1a C    19.1847  -12.7753
            28  C2y C    19.9192  -12.3684
            29  C1x C    20.6157  -13.6167
            30  C1a C    19.8985  -14.0202
            31  C1z C    17.7606  -13.5995
            32  C1x C    18.4847  -12.3581
            33  C1x C    18.4709  -14.8443
            34  C1y C    20.6330  -11.9684
            35  C2x C    19.2088  -11.9512
            36  C1x C    21.3364  -13.2098
            37  C1y C    17.7537  -14.4270
            38  C1x C    17.0433  -13.1822
            39  C1a C    17.7502  -12.7684
            40  C1z C    21.3433  -12.3857
            41  C1x C    20.6502  -11.1443
            42  C1z C    17.0433  -14.8408
            43  C1y C    16.3226  -13.5995
            44  C1x C    22.0640  -11.9857
            45  C6a C    22.0571  -12.8029
            46  C1z C    21.3640  -10.7408
            47  C1y C    16.3226  -14.4270
            48  C1b C    17.2260  -15.6088
            49  C1a C    16.6851  -15.5291
            50  O1a O    15.6019  -13.1822
            51  C1x C    22.0778  -11.1615
            52  O6a O    22.7744  -12.3822
            53  O6a O    22.0537  -13.6305
            54  C1a C    21.7778  -10.0167
            55  C1a C    20.9468  -10.0167
            56  O2a O    15.6019  -14.8408
            57  O1a O    17.8500  -16.1500
BOND        63
            1    13  15 1
            2    14  16 1
            3    14  17 1 #Down
            4    15  18 1
            5    15  19 1 #Up
            6    16  20 1 #Up
            7    18  21 1 #Down
            8    19  22 1
            9    16  18 1
            10    1  21 1 #Up
            11    5   7 1
            12    1   2 1
            13    1   3 1
            14    2   4 1
            15    3   5 1
            16    3   6 1 #Down
            17    4   7 1
            18    4   8 1 #Up
            19    5   9 1 #Up
            20    7  10 1 #Down
            21    8  11 1
            22   12  13 1
            23   12  14 1
            24   23  24 1
            25   23  25 1
            26   23  26 1
            27   23  27 1 #Up
            28   24  28 1
            29   24  29 1
            30   24  30 1 #Down
            31   25  31 1
            32   25  32 1
            33   26  33 1
            34   28  34 1
            35   28  35 2
            36   29  36 1
            37   31  37 1
            38   31  38 1
            39   31  39 1 #Up
            40   34  40 1
            41   34  41 1
            42   37  42 1
            43   38  43 1
            44   40  44 1
            45   40  45 1 #Up
            46   41  46 1
            47   42  47 1
            48   42  48 1 #Down
            49   42  49 1 #Up
            50   43  50 1 #Up
            51   44  51 1
            52   45  52 1
            53   45  53 2
            54   46  54 1
            55   46  55 1
            56   47  56 1 #Up
            57   32  35 1
            58   33  37 1
            59   36  40 1
            60   43  47 1
            61   46  51 1
            62   12  56 1 #Up
            63   48  57 1


entry: C08933
name: --- - Camellidin I
formula: C55H86O25
kcf:
ATOM        80
            1   C1y C    13.1087  -17.3832
            2   O2x O    12.3848  -17.7950
            3   C1y C    13.8230  -17.8035
            4   C1y C    12.3739  -18.6264
            5   C1y C    13.8181  -18.6385
            6   O1a O    14.5496  -17.4022
            7   C1y C    13.0961  -19.0510
            8   C1b C    11.6496  -19.0415
            9   O1a O    14.5370  -19.0620
            10  O1a O    13.0858  -19.8870
            11  C1y C    15.2583  -13.6208
            12  C1y C    15.2599  -14.4601
            13  O2x O    14.5345  -13.2099
            14  C1y C    14.5339  -14.8735
            15  O2a O    15.9802  -14.8791
            16  C1y C    13.8142  -13.6312
            17  C1y C    13.8148  -14.4572
            18  O1a O    14.5403  -15.7116
            19  C1y C    16.3968  -15.5914
            20  C6a C    13.0902  -13.2123
            21  O2a O    13.0961  -14.8799
            22  O2x O    15.9967  -16.3188
            23  C1y C    17.2287  -15.5731
            24  O6a O    13.0904  -12.3782
            25  O6a O    12.3690  -13.6284
            26  C1y C    12.3701  -15.2891
            27  C1y C    16.4257  -17.0277
            28  C1y C    17.6591  -16.2880
            29  O1a O    17.6261  -14.8411
            30  O2x O    11.6286  -14.9086
            31  C1y C    12.4060  -16.1243
            32  C1y C    17.2627  -17.0112
            33  C1b C    16.0253  -17.7559
            34  O1a O    18.4943  -16.2687
            35  C1y C    10.9269  -15.3528
            36  C1y C    11.6979  -16.5769
            37  O2a O    13.1152  -16.5507
            38  O1a O    17.6914  -17.7230
            39  O1a O    15.1979  -17.7667
            40  C1y C    10.9661  -16.1827
            41  C1b C    10.1947  -14.9705
            42  O1a O    11.7346  -17.4040
            43  O1a O    10.2656  -16.6358
            44  O1a O    10.1507  -14.1353
            45  C1z C    21.0321  -10.3204
            46  C2y C    20.3111  -10.7322
            47  C1y C    21.7504  -10.7495
            48  C1x C    21.0467   -9.4911
            49  O7a O    20.3111   -9.9099
            50  C1z C    20.3042  -11.5616
            51  C2x C    19.5964  -10.3066
            52  C5x C    21.7401  -11.5754
            53  C1x C    22.4603  -10.3453
            54  C1z C    21.7677   -9.0944
            55  C7a C    19.8889   -9.1847
            56  C1z C    19.5826  -11.9652
            57  C1x C    21.0149  -11.9755
            58  C1a C    20.2939  -12.3875
            59  C1x C    18.8754  -10.7143
            60  O5x O    22.4466  -12.0004
            61  C1x C    22.4749   -9.5159
            62  C1a C    22.1789   -8.3726
            63  C1a C    21.5441   -8.2926
            64  C1a C    20.3077   -8.4740
            65  O7a O    19.0596   -9.1847
            66  C1y C    18.8685  -11.5513
            67  C1x C    19.5826  -12.7945
            68  C1a C    19.5723  -11.1324
            69  C1z C    18.1433  -11.9583
            70  C1x C    18.8616  -13.2167
            71  C1y C    18.1399  -12.7911
            72  C1x C    17.4224  -11.5436
            73  C1a C    18.1364  -11.1255
            74  C1z C    17.4224  -13.2133
            75  C1x C    16.7007  -11.9583
            76  C1y C    16.7007  -12.7911
            77  C1a C    17.1050  -13.9441
            78  O2a O    15.9832  -13.2133
            79  C1a C    17.7750  -13.9417
            80  O1a O    10.9330  -18.6212
BOND        88
            1     3   6 1 #Down
            2     4   7 1
            3     4   8 1 #Up
            4     5   9 1 #Up
            5     7  10 1 #Down
            6     5   7 1
            7     1   2 1
            8     1   3 1
            9     2   4 1
            10   35  40 1
            11   35  41 1 #Up
            12   36  42 1 #Up
            13   40  43 1 #Up
            14   41  44 1
            15   16  17 1
            16   28  32 1
            17   36  40 1
            18   11  12 1
            19   11  13 1
            20   12  14 1
            21   12  15 1 #Down
            22   13  16 1
            23   14  17 1
            24   14  18 1 #Up
            25   19  15 1 #Up
            26   16  20 1 #Up
            27   17  21 1 #Down
            28   19  22 1
            29   19  23 1
            30   20  24 1
            31   20  25 2
            32   26  21 1 #Up
            33   22  27 1
            34   23  28 1
            35   23  29 1 #Down
            36   26  30 1
            37   26  31 1
            38   27  32 1
            39   27  33 1 #Up
            40   28  34 1 #Up
            41   30  35 1
            42   31  36 1
            43   31  37 1 #Down
            44   45  46 1
            45   45  47 1
            46   45  48 1
            47   45  49 1 #Up
            48   46  50 1
            49   46  51 2
            50   47  52 1
            51   47  53 1
            52   48  54 1
            53   49  55 1
            54   50  56 1
            55   50  57 1
            56   50  58 1 #Down
            57   51  59 1
            58   52  60 2
            59   53  61 1
            60   54  62 1
            61   54  63 1
            62   55  64 1
            63   55  65 2
            64   56  66 1
            65   56  67 1
            66   56  68 1 #Up
            67   66  69 1
            68   67  70 1
            69   69  71 1
            70   69  72 1
            71   69  73 1 #Up
            72   71  74 1
            73   72  75 1
            74   74  76 1
            75   74  77 1
            76   76  78 1 #Up
            77   52  57 1
            78   54  61 1
            79   59  66 1
            80   70  71 1
            81   75  76 1
            82   11  78 1 #Up
            83   32  38 1 #Up
            84   33  39 1
            85   74  79 1
            86    1  37 1 #Up
            87    3   5 1
            88    8  80 1


entry: C08934
name: --- - Camellidin II
formula: C53H84O24
kcf:
ATOM        77
            1   C1y C    14.5125  -14.3168
            2   C1y C    14.5265  -15.1543
            3   O2x O    13.7903  -13.9123
            4   C1y C    13.8096  -15.5737
            5   O2a O    15.2502  -15.5553
            6   C1y C    13.0809  -14.3407
            7   O2a O    13.8257  -16.4076
            8   C1y C    13.0844  -15.1675
            9   C1y C    15.6603  -16.2744
            10  C6a C    12.3520  -13.9325
            11  C1y C    13.1003  -16.8349
            12  O1a O    12.3753  -15.5953
            13  O2x O    15.2501  -16.9968
            14  C1y C    16.4992  -16.2731
            15  O6a O    12.3342  -13.1016
            16  O6a O    11.6400  -14.3586
            17  C1y C    13.1152  -17.6641
            18  O2x O    12.3798  -16.4275
            19  C1y C    15.6686  -17.7149
            20  C1y C    16.9129  -16.9900
            21  O1a O    16.9046  -15.5495
            22  O2a O    13.8404  -18.0703
            23  C1y C    12.4048  -18.0873
            24  C1y C    11.6695  -16.8506
            25  C1y C    16.4954  -17.7079
            26  C1b C    15.2528  -18.4276
            27  O1a O    17.7338  -16.9865
            28  C1y C    13.8522  -18.9811
            29  C1y C    11.6827  -17.6828
            30  O1a O    12.4161  -18.9144
            31  C1b C    10.9473  -16.4461
            32  O1a O    16.9141  -18.4267
            33  O2x O    13.1280  -19.3923
            34  C1y C    14.5630  -19.3989
            35  O1a O    10.9649  -18.1105
            36  O1a O    10.9294  -15.6152
            37  C1y C    13.1268  -20.2205
            38  C1y C    14.5598  -20.2306
            39  O1a O    15.2920  -18.9863
            40  C1y C    13.8354  -20.6419
            41  C1b C    12.4042  -20.6288
            42  O1a O    15.2769  -20.6441
            43  O1a O    13.8379  -21.4720
            44  C1z C    19.5391  -12.2588
            45  C1z C    18.8169  -12.6690
            46  C2y C    19.5460  -11.4346
            47  C1x C    20.2501  -12.6724
            48  C1a C    19.5315  -13.0901
            49  C1y C    18.1059  -12.2554
            50  C1x C    18.8169  -13.4967
            51  C1a C    18.8100  -11.8343
            52  C1z C    20.2639  -11.0273
            53  C2x C    18.8349  -11.0100
            54  C5x C    20.9681  -12.2761
            55  C1z C    17.3810  -12.6621
            56  C1x C    18.1094  -11.4235
            57  C1x C    18.0956  -13.9143
            58  C1y C    20.9750  -11.4484
            59  C1x C    20.2819  -10.2030
            60  O1a O    19.5460  -10.6103
            61  O5x O    21.6792  -12.6972
            62  C1y C    17.3776  -13.4898
            63  C1x C    16.6665  -12.2478
            64  C1a C    17.3699  -11.8308
            65  C1x C    21.6895  -11.0452
            66  C1z C    20.9999   -9.7998
            67  C1z C    16.6665  -13.9109
            68  C1x C    15.9444  -12.6621
            69  C1x C    21.7040  -10.2209
            70  C1a C    21.4030   -9.0784
            71  C1a C    20.5753   -9.0784
            72  C1y C    15.9444  -13.4898
            73  C1a C    16.3252  -14.6220
            74  O2a O    15.2299  -13.9109
            75  C1a C    16.9375  -14.6500
            76  O1a O    11.6936  -20.2097
            77  O1a O    14.4279  -18.4240
BOND        85
            1    29  35 1 #Up
            2    31  36 1
            3    33  37 1
            4    34  38 1
            5    34  39 1 #Down
            6    37  40 1
            7    37  41 1 #Up
            8    38  42 1 #Up
            9    40  43 1 #Down
            10    6   8 1
            11   20  25 1
            12   24  29 1
            13   38  40 1
            14    1   2 1
            15    1   3 1
            16    2   4 1
            17    2   5 1 #Down
            18    3   6 1
            19    4   7 1 #Up
            20    4   8 1
            21    9   5 1 #Up
            22    6  10 1 #Up
            23   11   7 1 #Up
            24    8  12 1 #Down
            25    9  13 1
            26    9  14 1
            27   10  15 1
            28   10  16 2
            29   11  17 1
            30   11  18 1
            31   13  19 1
            32   14  20 1
            33   14  21 1 #Down
            34   17  22 1 #Down
            35   17  23 1
            36   18  24 1
            37   19  25 1
            38   19  26 1 #Up
            39   20  27 1 #Up
            40   28  22 1 #Up
            41   23  29 1
            42   23  30 1 #Up
            43   24  31 1 #Up
            44   25  32 1 #Up
            45   44  45 1
            46   44  46 1
            47   44  47 1
            48   44  48 1 #Down
            49   45  49 1
            50   45  50 1
            51   45  51 1 #Up
            52   46  52 1
            53   46  53 2
            54   47  54 1
            55   49  55 1
            56   49  56 1
            57   50  57 1
            58   52  58 1
            59   52  59 1
            60   52  60 1 #Up
            61   54  61 2
            62   55  62 1
            63   55  63 1
            64   55  64 1 #Up
            65   58  65 1
            66   59  66 1
            67   62  67 1
            68   63  68 1
            69   65  69 1
            70   66  70 1
            71   66  71 1
            72   67  72 1
            73   67  73 1
            74   72  74 1 #Up
            75   53  56 1
            76   54  58 1
            77   57  62 1
            78   66  69 1
            79   68  72 1
            80    1  74 1 #Up
            81   28  33 1
            82   28  34 1
            83   67  75 1
            84   41  76 1
            85   26  77 1


entry: C08935
name: --- - Cimicifugoside
formula: C37H54O11
kcf:
ATOM        48
            1   C1y C     1.5250  -14.6708
            2   C1y C     1.5306  -15.4882
            3   O2x O     0.8136  -14.2684
            4   C1y C     0.8279  -15.9049
            5   O1a O     2.2419  -15.8907
            6   C1x C     0.1093  -14.6881
            7   C1y C     0.1166  -15.5024
            8   O1a O     0.8352  -16.7192
            9   O1a O    -0.5844  -15.9160
            10  C1z C     5.0764  -12.6339
            11  C1z C     4.3661  -13.0408
            12  C2y C     5.7764  -13.0477
            13  C1x C     4.3592  -12.2236
            14  C1x C     5.0799  -11.8201
            15  C1y C     4.3626  -13.8581
            16  C1x C     3.6592  -12.6305
            17  C1z C     6.4833  -12.6443
            18  C2x C     5.7764  -13.8650
            19  C1y C     5.7902  -11.4201
            20  C1x C     5.0661  -14.2684
            21  C1z C     3.6592  -14.2650
            22  C1x C     2.9523  -13.0408
            23  C1z C     6.4936  -11.8339
            24  C1x C     7.8867  -12.6615
            25  C1a C     6.4764  -13.4581
            26  O7a O     5.7833  -10.5995
            27  C1y C     2.9523  -13.8581
            28  C1a C     3.8695  -15.0546
            29  C1a C     3.2419  -14.9684
            30  C1y C     7.2005  -11.4339
            31  C1a C     6.4902  -11.0167
            32  C1y C     7.8971  -11.8512
            33  C7a C     5.0799  -10.1891
            34  O2a O     2.2454  -14.2650
            35  C1y C     7.2109  -10.6236
            36  O2x O     8.6040  -11.4546
            37  C1a C     4.3764  -10.5995
            38  O7a O     5.0799   -9.3753
            39  C1x C     7.9212  -10.2270
            40  C1a C     6.5109  -10.2064
            41  C1z C     8.6109  -10.6443
            42  C1y C     8.7833   -9.8512
            43  O2x O     9.3178  -11.0512
            44  C1z C     9.5902   -9.7684
            45  O2x O     9.1109   -9.1133
            46  C1y C     9.9178  -10.5064
            47  C1a C    10.3936   -9.6305
            48  O1a O    10.7178  -10.6788
BOND        56
            1     2   5 1 #Down
            2     3   6 1
            3     4   7 1
            4     4   8 1 #Up
            5     7   9 1 #Down
            6     6   7 1
            7     1   2 1
            8     1   3 1
            9    10  11 1
            10   10  12 1
            11   10  13 1 #Up
            12   10  14 1
            13   11  15 1
            14   11  16 1
            15   12  17 1
            16   12  18 2
            17   14  19 1
            18   15  20 1
            19   15  21 1
            20   16  22 1
            21   17  23 1
            22   17  24 1
            23   17  25 1 #Down
            24   19  26 1 #Up
            25   21  27 1
            26   21  28 1
            27   21  29 1
            28   23  30 1
            29   23  31 1 #Up
            30   24  32 1
            31   26  33 1
            32   27  34 1 #Up
            33   30  35 1
            34   32  36 1
            35   33  37 1
            36   33  38 2
            37   35  39 1
            38   35  40 1 #Down
            39   36  41 1
            40   41  42 1
            41   41  43 1 #Either
            42   42  44 1
            43   42  45 1
            44   43  46 1
            45   44  47 1 #Either
            46   46  48 1
            47   11  13 1 #Up
            48   18  20 1
            49   19  23 1
            50   22  27 1
            51   30  32 1
            52   39  41 1
            53   44  45 1
            54   44  46 1
            55    2   4 1
            56    1  34 1 #Up


entry: C08936
name: --- - Colubrin
formula: C48H76O18
kcf:
ATOM        66
            1   C1y C    13.4792  -17.6167
            2   C1y C    14.1905  -17.1995
            3   O2x O    13.4749  -18.4463
            4   C1y C    14.9101  -17.6045
            5   O1a O    14.1834  -16.3724
            6   C1x C    14.2067  -18.8571
            7   C1y C    14.9180  -18.4399
            8   O1a O    15.6245  -17.1855
            9   O1a O    15.6394  -18.8479
            10  C1y C    13.4333  -13.4667
            11  C1y C    13.4432  -14.2955
            12  O2x O    12.7102  -13.0629
            13  C1y C    12.7348  -14.7190
            14  O7a O    14.1662  -14.6993
            15  C1x C    12.0019  -13.4864
            16  O2a O    12.7464  -15.5535
            17  C1y C    12.0098  -14.3188
            18  C1y C    12.0350  -15.9753
            19  O1a O    11.2983  -14.7407
            20  C1y C    12.0466  -16.8011
            21  O2x O    11.3083  -15.5695
            22  O2a O    12.7697  -17.2049
            23  C1y C    11.3345  -17.2313
            24  C1y C    10.5949  -15.9950
            25  C1y C    10.6115  -16.8274
            26  O1a O    11.3528  -18.0608
            27  C1b C     9.8815  -15.5965
            28  O1a O     9.9001  -17.2493
            29  O1a O     9.8602  -14.7654
            30  C1z C    18.4536  -11.4164
            31  C1y C    18.4605  -10.5993
            32  C1z C    17.7401  -11.8253
            33  C1x C    19.3594  -11.2757
            34  C1x C    19.1637  -11.8364
            35  C1y C    19.1775  -10.1904
            36  C1x C    17.7504  -10.1724
            37  C1y C    17.0266  -11.4095
            38  C1x C    17.7401  -12.6534
            39  C1a C    17.7290  -10.9937
            40  C1z C    19.9345  -10.6062
            41  O2x O    19.8806  -11.4309
            42  C1z C    19.1919   -9.3657
            43  C1x C    17.0335  -10.5814
            44  C1z C    16.3055  -11.8184
            45  C1x C    17.0155  -13.0624
            46  O2x O    20.6086  -10.2084
            47  C1x C    19.9130   -8.9679
            48  C1a C    18.4716   -8.9533
            49  O1a O    19.1850   -8.5375
            50  C1y C    16.3020  -12.6466
            51  C1x C    15.5885  -11.4060
            52  C1a C    16.2986  -10.9903
            53  C1y C    20.6190   -9.3871
            54  C1z C    15.5885  -13.0624
            55  C1x C    14.8716  -11.8184
            56  C2b C    21.3324   -8.9782
            57  C1y C    14.8716  -12.6466
            58  C1a C    15.1651  -13.7759
            59  C1a C    15.9974  -13.7759
            60  C2c C    22.0501   -9.4051
            61  O2a O    14.1504  -13.0624
            62  C1a C    22.7671   -9.0038
            63  C1a C    22.0357  -10.2332
            64  C7a C    14.1583  -15.5209
            65  O7a O    13.4399  -15.9265
            66  C1a C    14.8688  -15.9402
BOND        74
            1    10  12 1
            2    11  13 1
            3    11  14 1 #Down
            4    12  15 1
            5    13  16 1 #Up
            6    13  17 1
            7    18  16 1 #Up
            8    17  19 1 #Up
            9    18  20 1
            10   18  21 1
            11   20  22 1 #Down
            12   20  23 1
            13   21  24 1
            14   23  25 1
            15   23  26 1 #Up
            16   24  27 1 #Up
            17   25  28 1 #Down
            18   27  29 1
            19   15  17 1
            20   24  25 1
            21    1   2 1
            22    1   3 1
            23    2   4 1
            24    2   5 1 #Down
            25    3   6 1
            26    4   7 1
            27    4   8 1 #Up
            28   30  31 1
            29   30  32 1
            30   30  33 1 #Up
            31   30  34 1
            32   31  35 1
            33   31  36 1
            34   32  37 1
            35   32  38 1
            36   32  39 1 #Up
            37   40  33 1 #Up
            38   34  41 1
            39   35  42 1
            40   36  43 1
            41   37  44 1
            42   38  45 1
            43   40  46 1
            44   42  47 1
            45   42  48 1 #Down
            46   42  49 1 #Up
            47   44  50 1
            48   44  51 1
            49   44  52 1 #Up
            50   46  53 1
            51   50  54 1
            52   51  55 1
            53   53  56 1
            54   54  57 1
            55   54  58 1
            56   54  59 1
            57   56  60 2
            58   57  61 1 #Up
            59   60  62 1
            60   60  63 1
            61   35  40 1
            62   37  43 1
            63   40  41 1
            64   45  50 1
            65   47  53 1
            66   55  57 1
            67   10  61 1 #Up
            68    7   9 1 #Down
            69   14  64 1
            70    6   7 1
            71   64  65 2
            72   10  11 1
            73   64  66 1
            74    1  22 1 #Up


entry: C08937
name: --- - Colubrinoside
formula: C50H78O19
kcf:
ATOM        69
            1   C1y C    12.0000  -18.8833
            2   C1y C    12.7279  -19.2978
            3   O2x O    11.2825  -19.3020
            4   C1y C    12.7357  -20.1239
            5   O1a O    13.4374  -18.8725
            6   C1x C    11.2911  -20.1365
            7   C1y C    12.0203  -20.5503
            8   O1a O    13.4554  -20.5434
            9   O1a O    12.0224  -21.3886
            10  C1y C    14.1458  -13.4500
            11  C1y C    14.1510  -14.2869
            12  O2x O    13.4281  -13.0468
            13  C1y C    13.4417  -14.7155
            14  O7a O    14.8703  -14.7000
            15  C1x C    12.7124  -13.4587
            16  O2a O    13.4423  -15.5450
            17  C1y C    12.7158  -14.2987
            18  C1y C    12.7239  -15.9625
            19  O1a O    11.9892  -14.7196
            20  C1y C    12.7281  -16.7943
            21  O2x O    12.0017  -15.5520
            22  C1y C    12.0045  -17.2169
            23  O1a O    13.4438  -17.2052
            24  C1y C    11.2684  -15.9649
            25  C1y C    11.2801  -16.8057
            26  O2a O    12.0049  -18.0550
            27  C1b C    10.5478  -15.5513
            28  O7a O    10.5638  -17.2238
            29  O1a O    10.5418  -14.7227
            30  C7a C     9.8301  -16.7984
            31  C1a C     9.8421  -15.9761
            32  O7a O     9.1167  -17.2269
            33  C1z C    19.1905  -11.3897
            34  C1y C    19.2016  -10.5583
            35  C1z C    18.4794  -11.8070
            36  C1x C    20.0642  -11.2820
            37  C1x C    19.9058  -11.8181
            38  C1y C    19.9314  -10.1624
            39  C1x C    18.4940  -10.1368
            40  C1y C    17.7566  -11.3862
            41  C1x C    18.4794  -12.6426
            42  C1a C    18.4650  -10.9647
            43  C1z C    20.6431  -10.5838
            44  O2x O    20.6286  -11.4117
            45  C1z C    19.9348   -9.3310
            46  C1x C    17.7642  -10.5549
            47  C1z C    17.0379  -11.8001
            48  C1x C    17.7497  -13.0488
            49  O2x O    21.3583  -10.1845
            50  C1x C    20.6610   -8.9281
            51  C1a C    19.2203   -8.9137
            52  O1a O    19.9314   -8.4997
            53  C1y C    17.0345  -12.6239
            54  C1x C    16.3151  -11.3828
            55  C1a C    17.0269  -10.9647
            56  C1y C    21.3728   -9.3490
            57  C1z C    16.3151  -13.0454
            58  C1x C    15.5929  -11.8001
            59  C2b C    22.0991   -8.9427
            60  C1y C    15.5929  -12.6239
            61  C1a C    16.7290  -13.7565
            62  C1a C    15.7235  -13.6259
            63  C2c C    22.8032   -9.3635
            64  O2a O    14.8701  -13.0454
            65  C1a C    23.5296   -8.9682
            66  C1a C    22.8032  -10.1948
            67  C7a C    14.8625  -15.5250
            68  O7a O    14.1400  -15.9307
            69  C1a C    15.5772  -15.9442
BOND        77
            1     1   2 1
            2     1   3 1
            3    10  11 1
            4    10  12 1
            5    11  13 1
            6    11  14 1 #Down
            7    12  15 1
            8    13  16 1 #Up
            9    13  17 1
            10   18  16 1 #Up
            11   17  19 1 #Up
            12   18  20 1
            13   18  21 1
            14   20  22 1
            15   20  23 1 #Down
            16   21  24 1
            17   22  25 1
            18   22  26 1 #Up
            19   24  27 1 #Up
            20   25  28 1 #Down
            21   27  29 1
            22   28  30 1
            23   30  31 1
            24   30  32 2
            25   15  17 1
            26   24  25 1
            27    2   4 1
            28    2   5 1 #Down
            29    3   6 1
            30    4   7 1
            31    4   8 1 #Up
            32   33  34 1
            33   33  35 1
            34   33  36 1 #Up
            35   33  37 1
            36   34  38 1
            37   34  39 1
            38   35  40 1
            39   35  41 1
            40   35  42 1 #Up
            41   43  36 1 #Up
            42   37  44 1
            43   38  45 1
            44   39  46 1
            45   40  47 1
            46   41  48 1
            47   43  49 1
            48   45  50 1
            49   45  51 1 #Down
            50   45  52 1 #Up
            51   47  53 1
            52   47  54 1
            53   47  55 1 #Up
            54   49  56 1
            55   53  57 1
            56   54  58 1
            57   56  59 1
            58   57  60 1
            59   57  61 1
            60   57  62 1
            61   59  63 2
            62   60  64 1 #Up
            63   63  65 1
            64   63  66 1
            65   38  43 1
            66   40  46 1
            67   43  44 1
            68   48  53 1
            69   50  56 1
            70   58  60 1
            71   10  64 1 #Up
            72    1  26 1 #Up
            73    7   9 1 #Down
            74   14  67 1
            75    6   7 1
            76   67  68 2
            77   67  69 1


