# compounds

entry: C10486
name: --- - Licoisoflavone A
formula: C20H18O6
kcf:
ATOM        26
            1   C8y C    -0.4690    0.1138
            2   C8y C     0.2483   -0.3034
            3   C8y C    -1.1897   -0.2966
            4   C8x C    -0.4655    0.9414
            5   C8y C     0.9655    0.1069
            6   C8x C     0.2414   -1.1310
            7   C8y C    -1.9069    0.1207
            8   O5x O    -1.1931   -1.1241
            9   O2x O    -1.1828    1.3621
            10  C8y C     1.6828   -0.3069
            11  O1a O     0.9655    0.9379
            12  C8x C     0.9586   -1.5517
            13  C8y C    -1.9035    0.9483
            14  C8y C    -2.6138   -0.2931
            15  C8y C     1.6793   -1.1379
            16  C1b C     2.4000    0.1034
            17  C8x C    -2.6138    1.3655
            18  C8x C    -3.3345    0.1207
            19  O1a O    -2.6138   -1.1207
            20  O1a O     2.3931   -1.5552
            21  C2b C     3.1138   -0.3138
            22  C8y C    -3.3345    0.9483
            23  C2c C     3.8345    0.0966
            24  O1a O    -4.0517    1.3655
            25  C1a C     4.5517   -0.3207
            26  C1a C     3.8379    0.9241
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    7  14 1
            14   10  15 1
            15   10  16 1
            16   13  17 1
            17   14  18 2
            18   14  19 1
            19   15  20 1
            20   16  21 1
            21   17  22 2
            22   21  23 2
            23   22  24 1
            24   23  25 1
            25   23  26 1
            26    9  13 1
            27   12  15 2
            28   18  22 1


entry: C10487
name: --- - Prenyl caffeate
formula: C14H16O4
kcf:
ATOM        18
            1   C8y C     5.8403   -2.9788
            2   C8x C     5.1177   -3.3868
            3   C2b C     5.8441   -2.1537
            4   C8x C     6.5544   -3.3971
            5   C8x C     5.1152   -4.2165
            6   C2b C     6.5650   -1.7488
            7   C8y C     6.5488   -4.2252
            8   C8y C     5.8292   -4.6348
            9   C7a C     6.5705   -0.9208
            10  O1a O     5.8255   -5.4599
            11  O7a O     5.8581   -0.4995
            12  O7a O     7.2930   -0.5128
            13  C1b C     8.0035   -0.9322
            14  C2b C     8.7219   -0.5266
            15  O1a O     7.2606   -4.6423
            16  C2c C     9.4323   -0.9459
            17  C1a C     9.4244   -1.7709
            18  C1a C    10.1507   -0.5403
BOND        18
            1     4   7 1
            2     5   8 1
            3     6   9 1
            4     8  10 1
            5     9  11 2
            6     9  12 1
            7     7   8 2
            8    12  13 1
            9     1   2 1
            10   13  14 1
            11    1   3 1
            12    7  15 1
            13    1   4 2
            14   14  16 2
            15    2   5 2
            16   16  17 1
            17    3   6 2
            18   16  18 1


entry: C10488
name: --- - Purpureaside C
formula: C35H46O20
kcf:
ATOM        55
            1   C1y C    10.0145   -7.1745
            2   C1y C    10.7272   -7.5842
            3   C1y C    10.0145   -6.3473
            4   O7a O     9.2984   -7.5773
            5   C1y C    11.4432   -7.1745
            6   O2a O    10.7272   -8.4079
            7   O2x O    10.7306   -5.9333
            8   C1b C     9.2984   -5.9298
            9   C7a C     8.5823   -7.1710
            10  C1y C    11.4467   -6.3508
            11  O1a O    12.1586   -7.5842
            12  C1y C    10.0076   -8.8219
            13  O2a O     9.2984   -5.1027
            14  C2b C     7.8704   -7.5738
            15  O7a O     8.5823   -6.3397
            16  O2a O    12.1586   -5.9333
            17  C1y C    10.0111   -9.6525
            18  O2x O     9.2880   -8.4044
            19  C1y C     8.5789   -4.6853
            20  C2b C     7.1612   -7.1599
            21  C1b C    12.8712   -6.3508
            22  C1y C     9.2915  -10.0622
            23  O1a O    10.7272  -10.0587
            24  C1y C     8.5720   -8.8253
            25  O2x O     8.5754   -3.8582
            26  C1y C     7.8669   -5.1027
            27  C8y C     6.4486   -7.5704
            28  C1b C    13.5839   -5.9333
            29  C1y C     8.5720   -9.6525
            30  O1a O     9.2915  -10.8893
            31  C1a C     7.8525   -8.4079
            32  C1y C     7.8559   -3.4484
            33  C1y C     7.1509   -4.6964
            34  O1a O     7.8704   -5.9298
            35  C8x C     5.7324   -7.1565
            36  C8x C     6.4486   -8.3975
            37  C8y C    14.3000   -6.3508
            38  O1a O     7.8559  -10.0622
            39  C1y C     7.1474   -3.8651
            40  C1b C     7.8525   -2.6288
            41  O1a O     6.4382   -5.1096
            42  C8y C     5.0129   -7.5704
            43  C8x C     5.7324   -8.8108
            44  C8x C    14.2966   -7.1779
            45  C8x C    15.0195   -5.9367
            46  O1a O     6.4279   -3.4553
            47  O1a O     8.5651   -2.2094
            48  C8y C     5.0129   -8.3975
            49  O1a O     4.3010   -7.1565
            50  C8x C    15.0126   -7.5911
            51  C8y C    15.7315   -6.3576
            52  O1a O     4.3010   -8.8108
            53  C8y C    15.7280   -7.1848
            54  O1a O    16.4441   -7.5980
            55  O1a O    16.4857   -5.9281
BOND        59
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11   12   6 1 #Up
            12    8  13 1
            13    9  14 1
            14    9  15 2
            15   10  16 1 #Up
            16   12  17 1
            17   12  18 1
            18   19  13 1 #Up
            19   14  20 2
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Down
            23   18  24 1
            24   19  25 1
            25   19  26 1
            26   20  27 1
            27   21  28 1
            28   22  29 1
            29   22  30 1 #Down
            30   24  31 1 #Down
            31   25  32 1
            32   26  33 1
            33   26  34 1 #Down
            34   27  35 1
            35   27  36 2
            36   28  37 1
            37   29  38 1 #Up
            38   32  39 1
            39   32  40 1 #Up
            40   33  41 1 #Up
            41   35  42 2
            42   36  43 1
            43   37  44 1
            44   37  45 2
            45   39  46 1 #Up
            46   40  47 1
            47   42  48 1
            48   42  49 1
            49   44  50 2
            50   45  51 1
            51   48  52 1
            52   50  53 1
            53   53  54 1
            54    7  10 1
            55   24  29 1
            56   33  39 1
            57   43  48 2
            58   51  53 2
            59   51  55 1


entry: C10489
name: --- - Rosmarinic acid
formula: C18H16O8
kcf:
ATOM        26
            1   C8y C     2.1483   -0.4069
            2   C1b C     1.4310   -0.8241
            3   C8x C     2.8586   -0.8241
            4   C8x C     2.1483    0.4207
            5   C1c C     0.7172   -0.4172
            6   C8y C     3.5759   -0.4103
            7   C8x C     2.8621    0.8310
            8   O7a O     0.7172    0.4138
            9   C6a C    -0.0034   -0.8276
            10  C8y C     3.5793    0.4172
            11  O1a O     4.2966   -0.8276
            12  C7a C     0.0000    0.8241
            13  O6a O    -0.7207   -0.4103
            14  O6a O    -0.0069   -1.6586
            15  O1a O     4.2966    0.8310
            16  C2b C    -0.7172    0.4138
            17  O7a O     0.0000    1.6552
            18  C2b C    -1.4310    0.8241
            19  C8y C    -2.1448    0.4138
            20  C8x C    -2.8586    0.8241
            21  C8x C    -2.1448   -0.4172
            22  C8y C    -3.5793    0.4138
            23  C8x C    -2.8586   -0.8345
            24  C8y C    -3.5793   -0.4172
            25  O1a O    -4.2966    0.8276
            26  O1a O    -4.2966   -0.8345
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1 #Down
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    8  12 1
            12    9  13 1
            13    9  14 2
            14   10  15 1
            15   12  16 1
            16   12  17 2
            17   16  18 2
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21   20  22 2
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   24  26 1
            26    7  10 2
            27   23  24 2


entry: C10490
name: --- - Safrole
formula: C10H10O2
kcf:
ATOM        12
            1   C8y C    -0.8414    0.2414
            2   C8y C    -0.8379   -0.5862
            3   C8x C    -0.1172    0.6586
            4   O2x O    -1.6310    0.5000
            5   C8x C    -0.1172   -1.0000
            6   O2x O    -1.6276   -0.8448
            7   C8y C     0.6000    0.2414
            8   C1x C    -2.1138   -0.1724
            9   C8x C     0.6000   -0.5862
            10  C1b C     1.3103    0.6552
            11  C2b C     2.0276    0.2379
            12  C2a C     2.7448    0.6517
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10   10  11 1
            11   11  12 2
            12    6   8 1
            13    7   9 2


entry: C10491
name: --- - Lonchocarpenin
formula: C27H28O6
kcf:
ATOM        33
            1   C8y C    -0.2759    0.4724
            2   C8y C    -0.2828   -0.3517
            3   C8y C    -0.9862    0.8862
            4   O7x O     0.4414    0.8759
            5   C8y C    -0.9931   -0.7621
            6   C8y C     0.4276   -0.7690
            7   C8y C    -1.7035    0.4793
            8   C1b C    -0.9828    1.7138
            9   C8y C     1.1517    0.4586
            10  C8y C    -1.7069   -0.3483
            11  O2a O    -0.9966   -1.5862
            12  C8y C     1.1448   -0.3621
            13  O1a O     0.4207   -1.5931
            14  O2x O    -2.4138    0.8897
            15  C2b C    -0.2690    2.1207
            16  O7x O     1.8690    0.8655
            17  C2x C    -2.4138   -0.7586
            18  C1a C    -1.7103   -1.9966
            19  C8y C     1.8552   -0.7828
            20  C1z C    -3.1310    0.4793
            21  C2c C    -0.2655    2.9483
            22  C2x C    -3.1310   -0.3483
            23  C8x C     1.8448   -1.6035
            24  C8x C     2.5690   -0.3724
            25  C1a C    -3.8448    0.8897
            26  C1a C    -3.8793   -0.0655
            27  C1a C     0.4517    3.3552
            28  C1a C    -0.9759    3.3621
            29  C8x C     2.5552   -2.0241
            30  C8x C     3.2793   -0.7931
            31  C8y C     3.2724   -1.6172
            32  O2a O     3.9828   -2.0379
            33  C1a C     4.7034   -1.6310
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 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 2
            16   10  17 1
            17   11  18 1
            18   12  19 1
            19   14  20 1
            20   15  21 2
            21   17  22 2
            22   19  23 2
            23   19  24 1
            24   20  25 1
            25   20  26 1
            26   21  27 1
            27   21  28 1
            28   23  29 1
            29   24  30 2
            30   29  31 2
            31   31  32 1
            32   32  33 1
            33    7  10 1
            34    9  12 1
            35   20  22 1
            36   30  31 1


entry: C10492
name: --- - Salvianolic acid A
formula: C26H22O10
kcf:
ATOM        36
            1   C8y C    -1.8448   -0.1690
            2   C8y C    -1.1276   -0.5862
            3   C2b C    -1.8448    0.6586
            4   C8y C    -2.5655   -0.5862
            5   C8x C    -1.1276   -1.4138
            6   C2b C    -0.4138   -0.1724
            7   C2b C    -2.5621    1.0724
            8   C8y C    -2.5655   -1.4138
            9   O1a O    -3.2828   -0.1690
            10  C8x C    -1.8448   -1.8276
            11  C2b C     0.3000   -0.5897
            12  C8y C    -2.5621    1.9069
            13  O1a O    -3.2828   -1.8276
            14  C7a C     1.0138   -0.1793
            15  C8x C    -3.2828    2.3172
            16  C8x C    -1.8448    2.3276
            17  O7a O     1.7310   -0.5931
            18  O7a O     1.0172    0.6517
            19  C8y C    -3.2862    3.1483
            20  C8x C    -1.8483    3.1552
            21  C1c C     1.7310   -1.4241
            22  C8y C    -2.5690    3.5655
            23  O1a O    -4.0069    3.5552
            24  C1b C     2.4448   -1.8310
            25  C6a C     1.0103   -1.8310
            26  O1a O    -2.5759    4.3931
            27  C8y C     3.1586   -1.4207
            28  O6a O     0.2966   -1.4207
            29  O6a O     1.0069   -2.6621
            30  C8x C     3.8759   -1.8310
            31  C8x C     3.1621   -0.5931
            32  C8y C     4.5931   -1.4207
            33  C8x C     3.8793   -0.1759
            34  C8y C     4.5966   -0.5931
            35  O1a O     5.3138   -1.8345
            36  O1a O     5.3138   -0.1793
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13   11  14 1
            14   12  15 2
            15   12  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   21  17 1 #Down
            21   19  22 2
            22   19  23 1
            23   21  24 1
            24   21  25 1
            25   22  26 1
            26   24  27 1
            27   25  28 1
            28   25  29 2
            29   27  30 1
            30   27  31 2
            31   30  32 2
            32   31  33 1
            33   32  34 1
            34   32  35 1
            35   34  36 1
            36    8  10 2
            37   20  22 1
            38   33  34 2


entry: C10493
name: --- - Sarisan
formula: C11H12O3
kcf:
ATOM        14
            1   C8y C    -1.0793    0.3517
            2   C8y C    -1.0793   -0.4724
            3   C8x C    -0.3586    0.7690
            4   O2x O    -1.8655    0.6069
            5   C8x C    -0.3586   -0.8897
            6   O2x O    -1.8621   -0.7310
            7   C8y C     0.3586    0.3552
            8   C1x C    -2.3448   -0.0621
            9   C8y C     0.3586   -0.4724
            10  C1b C     1.0724    0.7690
            11  O2a O     1.0759   -0.8862
            12  C2b C     1.7897    0.3552
            13  C1a C     1.7897   -0.4690
            14  C2a C     2.5035    0.7690
BOND        15
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 2
            14    6   8 1
            15    7   9 2


entry: C10494
name: --- - "[6]-Shogaol"
formula: C17H24O3
kcf:
ATOM        20
            1   C8y C    -1.5035   -0.0069
            2   C8x C    -2.2138    0.4103
            3   C8x C    -1.5035   -0.8345
            4   C1b C    -0.7897    0.4103
            5   C8y C    -2.9345   -0.0069
            6   C8x C    -2.2138   -1.2483
            7   C1b C    -0.0724   -0.0034
            8   C8y C    -2.9345   -0.8345
            9   O2a O    -3.6552    0.4103
            10  C5a C     0.6448    0.4138
            11  O1a O    -3.6552   -1.2483
            12  C1a C    -4.3724   -0.0069
            13  C2b C     1.3621    0.0034
            14  O5a O     0.6414    1.2448
            15  C2b C     2.0759    0.4172
            16  C1b C     2.7931    0.0069
            17  C1b C     3.5069    0.4241
            18  C1b C     4.2241    0.0103
            19  C1b C     4.9414    0.4276
            20  C1a C     5.6552    0.0138
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 2
            14   13  15 2
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20    6   8 2


entry: C10495
name: --- - Lotisoflavan
formula: C17H18O5
kcf:
ATOM        22
            1   C8y C    -0.7172    0.2310
            2   C8y C    -0.7138    1.0586
            3   C1x C     0.0000   -0.1862
            4   C8y C    -1.4310   -0.1828
            5   C8x C    -1.4310    1.4759
            6   O2x O     0.0069    1.4724
            7   C1y C     0.7207    0.2241
            8   C8x C    -2.1517    0.2310
            9   O2a O    -1.4276   -1.0103
            10  C8y C    -2.1517    1.0586
            11  C1x C     0.7241    1.0517
            12  C8y C     1.4345   -0.1931
            13  C1a C    -2.1448   -1.4310
            14  O2a O    -2.8655    1.4759
            15  C8y C     1.4276   -1.0207
            16  C8x C     2.1517    0.2172
            17  C1a C    -3.5828    1.0586
            18  C8x C     2.1448   -1.4379
            19  O1a O     0.7069   -1.4310
            20  C8x C     2.8655   -0.1966
            21  C8y C     2.8621   -1.0276
            22  O1a O     3.5793   -1.4448
BOND        24
            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     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    9  13 1
            13   10  14 1
            14   12  15 2
            15   12  16 1
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 2
            20   18  21 2
            21   21  22 1
            22    7  11 1
            23    8  10 1
            24   20  21 1


entry: C10496
name: --- - Sphagnum acid
formula: C11H10O5
kcf:
ATOM        16
            1   C8y C    14.9445   -8.4788
            2   C8x C    14.2219   -8.8868
            3   C2c C    14.9483   -7.6537
            4   C8x C    15.6585   -8.8971
            5   C8x C    14.2193   -9.7165
            6   C2b C    15.6691   -7.2488
            7   C8x C    15.6530   -9.7252
            8   C8y C    14.9334  -10.1348
            9   C6a C    15.6746   -6.4208
            10  O1a O    14.9296  -10.9599
            11  O6a O    14.9623   -5.9995
            12  O6a O    16.3971   -6.0128
            13  C1b C    14.2372   -7.2354
            14  C6a C    13.5194   -7.6420
            15  O6a O    12.8083   -7.2237
            16  O6a O    13.5126   -8.4670
BOND        16
            1     2   5 2
            2     3   6 2
            3     4   7 1
            4     5   8 1
            5     6   9 1
            6     8  10 1
            7     9  11 2
            8     9  12 1
            9     7   8 2
            10    3  13 1
            11    1   2 1
            12   13  14 1
            13    1   3 1
            14   14  15 1
            15    1   4 2
            16   14  16 2


entry: C10497
name: --- - Subaphyllin - Feruloylputrescine
formula: C14H20N2O3
kcf:
ATOM        19
            1   C8y C    10.1730   -7.8078
            2   C8x C    10.8879   -8.2219
            3   C8x C     9.4504   -8.2219
            4   C2b C    10.1695   -6.9768
            5   C8y C    10.9025   -9.0596
            6   C8x C     9.4504   -9.0596
            7   C2b C    10.8845   -6.5635
            8   C8y C    10.1730   -9.4841
            9   O2a O    11.6174   -9.4772
            10  C5a C    10.8845   -5.7284
            11  O1a O    10.1695  -10.3150
            12  N1b N    11.6001   -5.3151
            13  O5a O    10.1661   -5.3220
            14  C1b C    12.3147   -5.7231
            15  C1b C    13.0250   -5.3125
            16  C1b C    13.7375   -5.7208
            17  C1b C    14.4458   -5.3125
            18  C1a C    12.3380   -9.0620
            19  N1a N    15.1587   -5.7203
BOND        19
            1     4   7 2
            2     5   8 2
            3     5   9 1
            4     7  10 1
            5     8  11 1
            6    10  12 1
            7    10  13 2
            8     6   8 1
            9    12  14 1
            10    1   2 2
            11   14  15 1
            12    1   3 1
            13   15  16 1
            14    1   4 1
            15   16  17 1
            16    2   5 1
            17    9  18 1
            18    3   6 2
            19   17  19 1


entry: C10498
name: --- - Luteone
formula: C20H18O6
kcf:
ATOM        26
            1   C8y C    -0.1655    0.2897
            2   C8y C    -0.1621    1.1207
            3   C8y C     0.5517   -0.1241
            4   C8y C    -0.8793   -0.1207
            5   O2x O     0.5586    1.5345
            6   C8x C    -0.8793    1.5345
            7   C8y C     1.2724    0.2828
            8   O5x O     0.5483   -0.9552
            9   C8y C    -1.6000    0.2897
            10  O1a O    -0.8759   -0.9517
            11  C8x C     1.2759    1.1138
            12  C8y C    -1.6000    1.1207
            13  C8y C     1.9897   -0.1310
            14  C1b C    -2.3172   -0.1241
            15  O1a O    -2.3172    1.5379
            16  C8y C     1.9793   -0.9586
            17  C8x C     2.7000    0.2793
            18  C2b C    -3.0310    0.2897
            19  C8x C     2.6931   -1.3793
            20  O1a O     1.2586   -1.3724
            21  C8x C     3.4172   -0.1379
            22  C2c C    -3.7483   -0.1241
            23  C8y C     3.4138   -0.9655
            24  C1a C    -4.4690    0.2897
            25  C1a C    -3.7483   -0.9517
            26  O1a O     4.1310   -1.3862
BOND        28
            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 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   12  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   16  19 1
            19   16  20 1
            20   17  21 2
            21   18  22 2
            22   19  23 2
            23   22  24 1
            24   22  25 1
            25   23  26 1
            26    7  11 2
            27    9  12 1
            28   21  23 1


entry: C10499
name: --- - Suspensaside
formula: C29H36O16
kcf:
ATOM        45
            1   C1y C     0.1793   -0.0103
            2   C1y C     0.1759   -0.8379
            3   O2x O     0.8931    0.4069
            4   C1b C    -0.5414    0.4069
            5   C1y C     0.8897   -1.2483
            6   O7a O    -0.5379   -1.2483
            7   C1y C     1.6069   -0.0103
            8   O2a O    -0.5379    1.2379
            9   C1y C     1.6069   -0.8379
            10  O1a O     0.8897   -2.0793
            11  C7a C    -1.2552   -0.8379
            12  O2a O     2.3276    0.4034
            13  C1y C    -1.2586    1.6552
            14  O1a O     2.3241   -1.2517
            15  C2b C    -1.9724   -1.2483
            16  O7a O    -1.2552   -0.0069
            17  C1b C     3.0448   -0.0138
            18  C1y C    -1.2655    2.4828
            19  O2x O    -1.9759    1.2379
            20  C2b C    -2.6897   -0.8379
            21  C1c C     3.7621    0.4034
            22  C1y C    -1.9862    2.8966
            23  O1a O    -0.5483    2.9035
            24  C1y C    -2.6966    1.6483
            25  C8y C    -3.4034   -1.2483
            26  C8y C     4.4759   -0.0138
            27  O1a O     3.7621    1.2345
            28  C1y C    -2.7000    2.4759
            29  O1a O    -1.9897    3.7276
            30  C1a C    -3.4138    1.2310
            31  C8x C    -4.1172   -0.8379
            32  C8x C    -3.4034   -2.0793
            33  C8x C     5.1966    0.4000
            34  C8x C     4.4724   -0.8414
            35  O1a O    -3.4207    2.8897
            36  C8y C    -4.8379   -1.2483
            37  C8x C    -4.1172   -2.4966
            38  C8y C     5.9138   -0.0207
            39  C8x C     5.1897   -1.2586
            40  C8y C    -4.8379   -2.0793
            41  O1a O    -5.5552   -0.8379
            42  C8y C     5.9103   -0.8483
            43  O1a O     6.6310    0.3931
            44  O1a O    -5.5552   -2.4966
            45  O1a O     6.6241   -1.2655
BOND        48
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1
            11    7  12 1 #Up
            12   13   8 1 #Down
            13    9  14 1 #Down
            14   11  15 1
            15   11  16 2
            16   12  17 1
            17   13  18 1
            18   13  19 1
            19   15  20 2
            20   17  21 1
            21   18  22 1
            22   18  23 1 #Up
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   21  27 1 #Either
            27   22  28 1
            28   22  29 1 #Up
            29   24  30 1 #Up
            30   25  31 1
            31   25  32 2
            32   26  33 2
            33   26  34 1
            34   28  35 1 #Down
            35   31  36 2
            36   32  37 1
            37   33  38 1
            38   34  39 2
            39   36  40 1
            40   36  41 1
            41   38  42 2
            42   38  43 1
            43   40  44 1
            44   42  45 1
            45    7   9 1
            46   24  28 1
            47   37  40 2
            48   39  42 1


entry: C10500
name: --- - 1,3,4,5-Tetracaffeoylquinic acid
formula: C43H36O18
kcf:
ATOM        61
            1   C2b C     2.9000  -14.0417
            2   C7a C     3.6103  -13.6333
            3   O7a O     4.3206  -14.0417
            4   O7a O     3.6478  -12.7083
            5   O7a O     4.3525  -14.8252
            6   C7a C     5.0628  -14.4169
            7   C2b C     5.7731  -14.8252
            8   C2b C     6.4834  -14.4169
            9   C8y C     7.1978  -14.8252
            10  C8x C     7.1938  -15.6415
            11  C8x C     7.9041  -16.0540
            12  C8y C     8.6144  -15.6415
            13  C8y C     8.6144  -14.8206
            14  C8x C     7.9041  -14.4123
            15  O1a O     9.3247  -14.4123
            16  O1a O     9.3247  -16.0540
            17  C6a C     5.0633  -10.2326
            18  O6a O     5.7737   -9.8201
            19  O6a O     4.3530   -9.8201
            20  C1y C     5.0701  -12.7152
            21  C1y C     5.7855  -12.3055
            22  C1y C     4.3616  -12.2944
            23  O7a O     5.0667  -13.5348
            24  C1x C     5.7889  -11.4859
            25  O7a O     6.4940  -12.7221
            26  C1x C     4.3651  -11.4714
            27  C1z C     5.0770  -11.0727
            28  C7a C     7.2025  -12.3055
            29  O7a O     4.2547  -10.5031
            30  C2b C     7.9074  -12.7186
            31  O7a O     7.1990  -11.4859
            32  C7a C     3.5428  -10.0934
            33  C2b C     8.6194  -12.3055
            34  C2b C     2.8385  -10.5031
            35  O7a O     3.5428   -9.2704
            36  C8y C     9.3279  -12.7186
            37  C2b C     2.1266  -10.0934
            38  C8x C    10.0432  -12.3089
            39  C8x C     9.3245  -13.5383
            40  C8y C     1.4250  -10.5031
            41  C8y C    10.7475  -12.7255
            42  C8x C    10.0288  -13.9514
            43  C8x C     0.7089  -10.0934
            44  C8x C     1.4250  -11.3262
            45  C8y C    10.7441  -13.5452
            46  O1a O    11.4629  -12.3158
            47  C8y C     0.0012  -10.5031
            48  C8x C     0.7089  -11.7359
            49  O1a O    11.4526  -13.9583
            50  C8y C     0.0012  -11.3262
            51  O1a O    -0.7108  -10.0900
            52  O1a O    -0.7108  -11.7359
            53  C2b C     2.1897  -13.6333
            54  C8y C     1.4794  -14.0417
            55  C8x C     0.7650  -13.6331
            56  C8y C     0.0547  -14.0415
            57  C8y C     0.0547  -14.8623
            58  C8x C     0.7650  -15.2748
            59  C8x C     1.4795  -14.8623
            60  O1a O    -0.6556  -13.6331
            61  O1a O    -0.6556  -15.2748
BOND        65
            1    12  13 1
            2    13  14 2
            3    14   9 1
            4     7   8 2
            5    13  15 1
            6    12  16 1
            7     8   9 1
            8     2   3 2
            9    20  21 1
            10   20  22 1
            11   20  23 1 #Down
            12   21  24 1
            13   21  25 1 #Up
            14   22  26 1
            15   22   4 1 #Down
            16   24  27 1
            17   25  28 1
            18   27  29 1 #Down
            19   28  30 1
            20   28  31 2
            21   29  32 1
            22   30  33 2
            23   32  34 1
            24   32  35 2
            25   33  36 1
            26   34  37 2
            27   36  38 1
            28   36  39 2
            29   37  40 1
            30   38  41 2
            31   39  42 1
            32   40  43 1
            33   40  44 2
            34   41  45 1
            35   41  46 1
            36   43  47 2
            37   44  48 1
            38   45  49 1
            39   47  50 1
            40   47  51 1
            41   50  52 1
            42   26  27 1
            43   42  45 2
            44   48  50 2
            45   27  17 1 #Up
            46   23   6 1
            47   17  18 1
            48    1  53 2
            49    5   6 2
            50   53  54 1
            51   17  19 2
            52    1   2 1
            53    6   7 1
            54    2   4 1
            55    9  10 2
            56   54  55 1
            57   55  56 2
            58   56  57 1
            59   57  58 2
            60   58  59 1
            61   59  54 2
            62   10  11 1
            63   56  60 1
            64   11  12 2
            65   57  61 1


entry: C10501
name: --- - Verbascoside
formula: C29H36O15
kcf:
ATOM        44
            1   C1y C     0.6517    0.0241
            2   C1y C    -0.0621    0.4345
            3   O2a O     0.6483   -0.8069
            4   C1y C     1.3690    0.4345
            5   C1y C    -0.0621    1.2621
            6   O7a O    -0.7793    0.0241
            7   C1y C    -0.0655   -1.2207
            8   C1y C     1.3690    1.2621
            9   O1a O     2.0862    0.0207
            10  O2x O     0.6517    1.6759
            11  C1b C    -0.7793    1.6793
            12  C7a C    -1.4966    0.4345
            13  C1y C    -0.0655   -2.0517
            14  O2x O    -0.7862   -0.8034
            15  O2a O     2.0828    1.6759
            16  O1a O    -0.7793    2.5103
            17  C2b C    -2.2138    0.0241
            18  O7a O    -1.4966    1.2655
            19  C1y C    -0.7862   -2.4655
            20  O1a O     0.6483   -2.4621
            21  C1y C    -1.5069   -1.2207
            22  C1b C     2.8000    1.2586
            23  C2b C    -2.9276    0.4345
            24  C1y C    -1.5069   -2.0517
            25  O1a O    -0.7828   -3.2931
            26  C1a C    -2.2276   -0.8069
            27  C1b C     3.5172    1.6724
            28  C8y C    -3.6414    0.0241
            29  O1a O    -2.2241   -2.4655
            30  C8y C     4.2345    1.2552
            31  C8x C    -4.3586    0.4345
            32  C8x C    -3.6414   -0.8069
            33  C8x C     4.9552    1.6690
            34  C8x C     4.2310    0.4276
            35  C8y C    -5.0793    0.0241
            36  C8x C    -4.3586   -1.2241
            37  C8y C     5.6724    1.2483
            38  C8x C     4.9448    0.0103
            39  C8y C    -5.0793   -0.8069
            40  O1a O    -5.7931    0.4345
            41  C8y C     5.6655    0.4207
            42  O1a O     6.3862    1.6621
            43  O1a O    -5.7931   -1.2241
            44  O1a O     6.3793    0.0034
BOND        47
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Down
            6     7   3 1 #Up
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1 #Up
            15   11  16 1
            16   12  17 1
            17   12  18 2
            18   13  19 1
            19   13  20 1 #Down
            20   14  21 1
            21   15  22 1
            22   17  23 2
            23   19  24 1
            24   19  25 1 #Down
            25   21  26 1 #Down
            26   22  27 1
            27   23  28 1
            28   24  29 1 #Up
            29   27  30 1
            30   28  31 1
            31   28  32 2
            32   30  33 2
            33   30  34 1
            34   31  35 2
            35   32  36 1
            36   33  37 1
            37   34  38 2
            38   35  39 1
            39   35  40 1
            40   37  41 2
            41   37  42 1
            42   39  43 1
            43   41  44 1
            44    8  10 1
            45   21  24 1
            46   36  39 2
            47   38  41 1


entry: C10502
name: --- - (-)-Maackiain
formula: C16H12O5
kcf:
ATOM        21
            1   C1y C    -0.5310    0.0207
            2   C1y C     0.1897    0.4276
            3   C8y C    -1.2345    0.4345
            4   O2x O    -0.3621   -0.7897
            5   C8y C     0.8000   -0.1276
            6   C1x C     0.1931    1.2483
            7   C8y C    -1.2310    1.2552
            8   C8x C    -1.9379    0.0241
            9   C8y C     0.4552   -0.8793
            10  C8x C     1.6207   -0.0517
            11  O2x O    -0.5172    1.6621
            12  C8x C    -1.9379    1.6655
            13  C8x C    -2.6517    0.4345
            14  C8x C     0.9345   -1.5517
            15  C8y C     2.0966   -0.7241
            16  C8y C    -2.6517    1.2552
            17  C8y C     1.7552   -1.4793
            18  O2x O     2.9207   -0.8207
            19  O1a O    -3.3621    1.6655
            20  O2x O     2.3621   -2.0379
            21  C1x C     3.0828   -1.6310
BOND        25
            1     1   2 1
            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 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   12  16 2
            16   14  17 2
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21    5   9 2
            22    7  11 1
            23   13  16 1
            24   15  17 1
            25   20  21 1


entry: C10503
name: --- - (-)-Medicarpin
formula: C16H14O4
kcf:
ATOM        20
            1   C1y C    -0.3655    0.0034
            2   C1y C     0.3448    0.4069
            3   C8y C    -1.0690    0.4138
            4   O2x O    -0.2069   -0.7966
            5   C8y C     0.9483   -0.1414
            6   C1x C     0.3483    1.2241
            7   C8y C    -1.0655    1.2310
            8   C8x C    -1.7724    0.0034
            9   C8y C     0.6069   -0.8862
            10  C8x C     1.7586   -0.0655
            11  O2x O    -0.3586    1.6345
            12  C8x C    -1.7724    1.6379
            13  C8x C    -2.4828    0.4138
            14  C8x C     1.0828   -1.5483
            15  C8x C     2.2345   -0.7276
            16  C8y C    -2.4828    1.2310
            17  C8y C     1.8931   -1.4690
            18  O1a O    -3.1862    1.6379
            19  O2a O     2.3690   -2.1379
            20  C1a C     3.1793   -2.0552
BOND        23
            1     1   2 1
            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 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   12  16 2
            16   14  17 2
            17   16  18 1
            18   17  19 1
            19   19  20 1
            20    5   9 2
            21    7  11 1
            22   13  16 1
            23   15  17 1


entry: C10504
name: --- - Melannin
formula: C16H12O5
kcf:
ATOM        21
            1   C8y C     0.0000    0.4379
            2   C8y C     0.7172    0.0172
            3   C8y C     0.0034    1.2655
            4   C8x C    -0.7103    0.0207
            5   C8y C     0.7138   -0.8103
            6   C8x C     1.4345    0.4310
            7   C8x C    -0.7103    1.6793
            8   O7x O     0.7241    1.6759
            9   C8y C    -1.4310    0.4379
            10  C8x C    -0.0069   -1.2207
            11  C8x C     1.4310   -1.2241
            12  C8y C     1.4379    1.2586
            13  C8y C    -1.4310    1.2655
            14  O1a O    -2.1483    0.0207
            15  C8x C    -0.0103   -2.0483
            16  C8x C     1.4276   -2.0552
            17  O7x O     2.1586    1.6690
            18  O2a O    -2.1483    1.6793
            19  C8y C     0.7069   -2.4690
            20  C1a C    -2.8690    1.2655
            21  O1a O     0.7034   -3.2966
BOND        23
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 2
            16   12  17 2
            17   13  18 1
            18   15  19 2
            19   18  20 1
            20   19  21 1
            21    8  12 1
            22    9  13 1
            23   16  19 1


entry: C10505
name: --- - (R)-4-Methoxydalbergione
formula: C16H14O3
kcf:
ATOM        19
            1   C2y C     5.4186  -11.3654
            2   C1c C     6.1276  -11.7784
            3   C5x C     5.4186  -10.5427
            4   C2x C     4.7167  -11.7784
            5   C8y C     6.1310  -12.5977
            6   C2b C     6.8441  -11.3654
            7   C2x C     4.7167  -10.1365
            8   O5x O     6.1276  -10.1365
            9   C5x C     4.0043  -11.3654
            10  C8x C     5.4221  -13.0039
            11  C8x C     6.8475  -13.0004
            12  C2a C     7.5530  -11.7750
            13  C2y C     4.0043  -10.5427
            14  O5x O     3.2878  -11.7784
            15  C8x C     5.4221  -13.8232
            16  C8x C     6.8475  -13.8232
            17  O2a O     3.2878  -10.1365
            18  C8x C     6.1345  -14.2362
            19  C1a C     2.5789  -10.5427
BOND        20
            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 2
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 2
            13    9  14 2
            14   10  15 1
            15   11  16 2
            16   13  17 1
            17   15  18 2
            18   17  19 1
            19    9  13 1
            20   16  18 1


entry: C10506
name: --- - Millettone
formula: C22H18O6
kcf:
ATOM        28
            1   C8y C    -0.8966    0.4310
            2   C8y C    -0.1828    0.8241
            3   C8y C    -1.5828    0.8517
            4   O2x O    -0.9138   -0.4172
            5   C5x C     0.5034    0.3966
            6   C8x C    -0.1655    1.6310
            7   C8y C    -1.5621    1.6586
            8   C2x C    -2.2862    0.4621
            9   C1y C    -0.2276   -0.8000
            10  C1y C     0.4828   -0.4138
            11  O5x O     1.2276    0.7897
            12  C8x C    -0.8552    2.0483
            13  O2x O    -2.2552    2.0759
            14  C2x C    -2.9759    0.8828
            15  C1x C    -0.2517   -1.6207
            16  C8y C     1.1828   -0.8448
            17  C1z C    -2.9586    1.6897
            18  O2x O     0.4379   -2.0448
            19  C8y C     1.1586   -1.6586
            20  C8x C     1.9000   -0.4586
            21  C1a C    -3.6517    2.1103
            22  C1a C    -3.7103    1.0966
            23  C8x C     1.8483   -2.0931
            24  C8y C     2.5966   -0.8897
            25  C8y C     2.5690   -1.7103
            26  O2x O     3.3862   -0.6621
            27  O2x O     3.3379   -1.9897
            28  C1x C     3.8448   -1.3414
BOND        33
            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 1
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   10  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 2
            19   16  20 1
            20   17  21 1
            21   17  22 1
            22   19  23 1
            23   20  24 2
            24   23  25 2
            25   24  26 1
            26   25  27 1
            27   26  28 1
            28    7  12 1
            29    9  10 1
            30   14  17 1
            31   18  19 1
            32   24  25 1
            33   27  28 1


entry: C10507
name: --- - Mucronulatol
formula: C17H18O5
kcf:
ATOM        22
            1   C8y C    14.0388   -8.1919
            2   C1y C    13.3208   -7.7740
            3   C8y C    14.0319   -9.0203
            4   C8x C    14.7533   -7.7775
            5   C1x C    12.5995   -8.1850
            6   C1x C    13.3242   -6.9422
            7   C8y C    14.7464   -9.4375
            8   O2a O    13.3105   -9.4272
            9   C8x C    15.4712   -8.1988
            10  C8y C    11.8849   -7.7671
            11  O2x O    12.6064   -6.5284
            12  C8y C    15.4678   -9.0272
            13  O1a O    14.7430  -10.2658
            14  C8y C    11.8884   -6.9388
            15  C8x C    11.1704   -8.1850
            16  O2a O    16.1816   -9.4410
            17  C8x C    11.1704   -6.5250
            18  C8x C    10.4566   -7.7671
            19  C1a C    16.8996   -9.0341
            20  C8y C    10.4566   -6.9388
            21  O1a O     9.7352   -6.5250
            22  C1a C    13.3043  -10.2563
BOND        24
            1     2   1 1 #Down
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13   10  14 2
            14   10  15 1
            15   12  16 1
            16   14  17 1
            17   15  18 2
            18   16  19 1
            19   17  20 2
            20   20  21 1
            21    9  12 1
            22   11  14 1
            23   18  20 1
            24    8  22 1


entry: C10508
name: --- - (-)-Nissolin
formula: C16H14O5
kcf:
ATOM        21
            1   C1y C    -0.2552    0.1310
            2   C1y C     0.4621    0.5379
            3   C8y C    -0.9586    0.5448
            4   O2x O    -0.0862   -0.6759
            5   C8y C     1.0724   -0.0172
            6   C1x C     0.4655    1.3586
            7   C8y C    -0.9552    1.3655
            8   C8x C    -1.6621    0.1345
            9   C8y C     0.7310   -0.7655
            10  C8x C     1.8931    0.0621
            11  O2x O    -0.2414    1.7759
            12  C8x C    -1.6621    1.7759
            13  C8x C    -2.3724    0.5448
            14  C8y C     1.2069   -1.4414
            15  C8x C     2.3724   -0.6172
            16  C8y C    -2.3724    1.3655
            17  C8y C     2.0276   -1.3655
            18  O2a O     0.8655   -2.1897
            19  O1a O    -3.0897    1.7793
            20  O1a O     2.5069   -2.0345
            21  C1a C     0.0483   -2.2655
BOND        24
            1     1   2 1
            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 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   12  16 2
            16   14  17 2
            17   14  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21    5   9 2
            22    7  11 1
            23   13  16 1
            24   15  17 1


entry: C10509
name: --- - Ononin
formula: C22H22O9
kcf:
ATOM        31
            1   C8y C     0.6276    0.0448
            2   C8y C     0.6310    0.8690
            3   C8y C     1.3414   -0.3690
            4   C8x C    -0.0793   -0.3655
            5   C8x C    -0.0793    1.2828
            6   O2x O     1.3483    1.2793
            7   C8y C     2.0552    0.0379
            8   O5x O     1.3379   -1.1966
            9   C8x C    -0.7966    0.0448
            10  C8y C    -0.7966    0.8690
            11  C8x C     2.0586    0.8655
            12  C8y C     2.7690   -0.3759
            13  O2a O    -1.5138    1.2862
            14  C8x C     2.7621   -1.2000
            15  C8x C     3.4828    0.0345
            16  C1y C    -2.3724    0.8655
            17  C8x C     3.4759   -1.6172
            18  C8x C     4.1931   -0.3828
            19  O2x O    -3.0862    1.2793
            20  C1y C    -2.3724    0.0414
            21  C8y C     4.1897   -1.2069
            22  C1y C    -3.8000    0.8655
            23  C1y C    -3.0862   -0.3724
            24  O1a O    -1.6586   -0.3724
            25  O2a O     4.9034   -1.6207
            26  C1y C    -3.8000    0.0414
            27  C1b C    -4.5172    1.2793
            28  O1a O    -3.0828   -1.1966
            29  C1a C     5.6207   -1.2138
            30  O1a O    -4.5172   -0.3724
            31  O1a O    -5.2310    0.8655
BOND        34
            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 2
            8     4   9 2
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12   10  13 1
            13   12  14 2
            14   12  15 1
            15   16  13 1 #Up
            16   14  17 1
            17   15  18 2
            18   16  19 1
            19   16  20 1
            20   17  21 2
            21   19  22 1
            22   20  23 1
            23   20  24 1 #Down
            24   21  25 1
            25   22  26 1
            26   22  27 1 #Up
            27   23  28 1 #Up
            28   25  29 1
            29   26  30 1 #Down
            30   27  31 1
            31    7  11 2
            32    9  10 1
            33   18  21 1
            34   23  26 1


entry: C10510
name: --- - Orobol
formula: C15H10O6
kcf:
ATOM        21
            1   C8y C    -1.1276    0.1828
            2   C8y C    -1.1241    1.0103
            3   C8y C    -0.4103   -0.2345
            4   C8y C    -1.8379   -0.2310
            5   O2x O    -0.4034    1.4241
            6   C8x C    -1.8379    1.4276
            7   C8y C     0.3069    0.1759
            8   O5x O    -0.4138   -1.0621
            9   C8x C    -2.5586    0.1828
            10  O1a O    -1.8379   -1.0586
            11  C8x C     0.3103    1.0069
            12  C8y C    -2.5586    1.0103
            13  C8y C     1.0241   -0.2379
            14  O1a O    -3.2793    1.4276
            15  C8x C     1.7414    0.1724
            16  C8x C     1.0172   -1.0690
            17  C8y C     2.4552   -0.2448
            18  C8x C     1.7310   -1.4862
            19  C8y C     2.4517   -1.0724
            20  O1a O     3.1759    0.1655
            21  O1a O     3.1690   -1.4931
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     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   15  17 2
            17   16  18 1
            18   17  19 1
            19   17  20 1
            20   19  21 1
            21    7  11 2
            22    9  12 1
            23   18  19 2


entry: C10511
name: --- - Osajin
formula: C25H24O5
kcf:
ATOM        30
            1   C8y C    -0.4690    1.0724
            2   C8y C     0.2414    0.6655
            3   C8y C    -1.1862    0.6655
            4   C2x C    -0.4655    1.9000
            5   C8y C     0.2379   -0.1621
            6   O2x O     0.9552    1.0724
            7   C8y C    -1.1862   -0.1621
            8   O2x O    -1.9000    1.0828
            9   C2x C    -1.1793    2.3172
            10  C8y C    -0.4724   -0.5724
            11  C8y C     0.9483   -0.5759
            12  C8x C     1.6690    0.6586
            13  C1b C    -1.9035   -0.5724
            14  C1z C    -1.8966    1.9069
            15  O1a O    -0.4690   -1.3966
            16  C8y C     1.6655   -0.1655
            17  O5x O     0.9448   -1.4000
            18  C2b C    -2.6172   -0.1621
            19  C1a C    -2.6069    2.3241
            20  C1a C    -2.6414    1.4517
            21  C8y C     2.3793   -0.5828
            22  C2c C    -3.3310   -0.5759
            23  C8x C     2.3724   -1.4069
            24  C8x C     3.0897   -0.1724
            25  C1a C    -4.0448   -0.1621
            26  C1a C    -3.3310   -1.4000
            27  C8x C     3.0828   -1.8207
            28  C8x C     3.8034   -0.5862
            29  C8y C     3.8000   -1.4138
            30  O1a O     4.5138   -1.8276
BOND        33
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 2
            17   13  18 1
            18   14  19 1
            19   14  20 1
            20   16  21 1
            21   18  22 2
            22   21  23 2
            23   21  24 1
            24   22  25 1
            25   22  26 1
            26   23  27 1
            27   24  28 2
            28   27  29 2
            29   29  30 1
            30    7  10 2
            31    9  14 1
            32   12  16 2
            33   28  29 1


entry: C10512
name: --- - Pachyrrhizone
formula: C20H14O7
kcf:
ATOM        27
            1   C1y C    11.1187   -8.4026
            2   C8y C    11.8308   -8.8109
            3   C1y C    10.4086   -8.8142
            4   C5x C    11.1244   -7.5822
            5   C8y C    11.8328   -9.6309
            6   C8x C    12.5378   -8.4011
            7   O2x O     9.7008   -8.3994
            8   C1x C    10.4153   -9.6354
            9   C8y C    10.4153   -7.1722
            10  O5x O    11.8378   -7.1766
            11  C8x C    12.5415  -10.0332
            12  O2x O    11.1227  -10.0425
            13  C8y C    13.2435   -8.8051
            14  C8y C     9.7035   -7.5808
            15  C8x C    10.4244   -6.3579
            16  C8y C    13.2468   -9.6203
            17  O2x O    14.0268   -8.5502
            18  C8y C     8.9974   -7.1691
            19  C8y C     9.7132   -5.9371
            20  O2x O    14.0281   -9.8783
            21  C1x C    14.5099   -9.2117
            22  C8y C     8.9984   -6.3475
            23  O2a O     8.2853   -7.5699
            24  C8x C     9.5452   -5.1323
            25  O2x O     8.3927   -5.7913
            26  C1a C     8.2826   -8.3886
            27  C8x C     8.7298   -5.0445
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     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15   11  16 2
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   22  25 1
            25   23  26 1
            26   24  27 2
            27    8  12 1
            28    9  14 2
            29   13  16 1
            30   19  22 1
            31   20  21 1
            32   25  27 1


entry: C10513
name: --- - Paniculatin
formula: C27H30O15
kcf:
ATOM        42
            1   C1y C     4.0993  -11.0777
            2   C1y C     3.3885  -10.6519
            3   C1y C     3.4045   -9.8228
            4   C1y C     4.1310   -9.4202
            5   C1y C     4.8415   -9.8506
            6   O2x O     4.8254  -10.6797
            7   O1a O     2.6664  -11.0508
            8   O1a O     2.6982   -9.3925
            9   O1a O     4.1471   -8.5912
            10  C1b C     5.5681   -9.4480
            11  O1a O     5.5826   -8.6231
            12  C8y C     4.0833  -11.9042
            13  C8y C     4.7911  -12.3206
            14  C8y C     3.3600  -12.3206
            15  C8y C     4.7876  -13.1516
            16  O2x O     5.5118  -11.9102
            17  C8y C     3.3566  -13.1516
            18  O1a O     2.6359  -11.9068
            19  C8y C     4.0807  -13.5654
            20  C8y C     5.5049  -13.5689
            21  C8x C     6.2255  -12.3275
            22  C1y C     2.6324  -13.5654
            23  O1a O     4.0807  -14.3964
            24  C8y C     6.2221  -13.1585
            25  O5x O     5.5014  -14.3964
            26  O2x O     1.9186  -13.1516
            27  C1y C     2.6324  -14.3964
            28  C8y C     6.9393  -13.5758
            29  C1y C     1.2014  -13.5654
            30  C1y C     1.9186  -14.8068
            31  O1a O     3.3566  -14.8068
            32  C8x C     6.9324  -14.4033
            33  C8x C     7.6566  -13.1620
            34  C1y C     1.2014  -14.3964
            35  C1b C     0.4807  -13.1516
            36  O1a O     1.9186  -15.6378
            37  C8x C     7.6497  -14.8206
            38  C8x C     8.3738  -13.5826
            39  O1a O     0.4807  -14.8068
            40  O1a O    -0.2365  -13.5654
            41  C8y C     8.3704  -14.4102
            42  O1a O     9.0876  -14.8275
BOND        46
            1     4   5 1
            2     5   6 1
            3     6   1 1
            4     2   7 1 #Down
            5     3   8 1 #Up
            6     4   9 1 #Down
            7     5  10 1 #Up
            8    10  11 1
            9     1  12 1 #Up
            10    1   2 1
            11    2   3 1
            12    3   4 1
            13   12  13 1
            14   12  14 2
            15   13  15 2
            16   13  16 1
            17   14  17 1
            18   14  18 1
            19   15  19 1
            20   15  20 1
            21   16  21 1
            22   22  17 1 #Up
            23   19  23 1
            24   20  24 1
            25   20  25 2
            26   22  26 1
            27   22  27 1
            28   24  28 1
            29   26  29 1
            30   27  30 1
            31   27  31 1 #Down
            32   28  32 2
            33   28  33 1
            34   29  34 1
            35   29  35 1 #Up
            36   30  36 1 #Up
            37   32  37 1
            38   33  38 2
            39   34  39 1 #Down
            40   35  40 1
            41   37  41 2
            42   41  42 1
            43   17  19 2
            44   21  24 2
            45   30  34 1
            46   38  41 1


entry: C10514
name: --- - (-)-Phaseollin
formula: C20H18O4
kcf:
ATOM        24
            1   C8y C     0.3828   -0.3448
            2   C8y C     0.7276    0.4034
            3   C8y C     0.8621   -1.0172
            4   O2x O    -0.4345   -0.2552
            5   C1y C     0.1138    0.9586
            6   C8x C     1.5483    0.4828
            7   C8y C     1.6793   -0.9379
            8   C2x C     0.5207   -1.7621
            9   C1y C    -0.6034    0.5552
            10  C1x C     0.1172    1.7793
            11  C8x C     2.0241   -0.1897
            12  O2x O     2.1552   -1.6138
            13  C2x C     0.9931   -2.4345
            14  C8y C    -1.3069    0.9655
            15  O2x O    -0.5897    2.1966
            16  C1z C     1.8103   -2.3586
            17  C8y C    -1.3035    1.7862
            18  C8x C    -2.0103    0.5586
            19  C1a C     2.6345   -2.7345
            20  C1a C     1.5621   -3.1966
            21  C8x C    -2.0103    2.2000
            22  C8x C    -2.7207    0.9655
            23  C8y C    -2.7207    1.7862
            24  O1a O    -3.4310    2.2000
BOND        28
            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 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   14  17 2
            17   14  18 1
            18   16  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   21  23 2
            23   23  24 1
            24    5   9 1
            25    7  11 1
            26   13  16 1
            27   15  17 1
            28   22  23 1


entry: C10515
name: --- - (-)-Phaseollinisoflavan
formula: C20H20O4
kcf:
ATOM        24
            1   C8y C    14.6057   -8.5539
            2   C8y C    13.8878   -8.9650
            3   C8x C    14.6092   -7.7221
            4   O2x O    15.3203   -8.9719
            5   C8y C    13.1698   -8.5470
            6   C2x C    13.8844   -9.7898
            7   C8x C    13.8913   -7.3083
            8   C1z C    15.3168   -9.7967
            9   C8y C    13.1767   -7.7186
            10  O1a O    12.4484   -8.9581
            11  C2x C    14.5988  -10.2036
            12  C1a C    16.0065  -10.1553
            13  C1a C    15.2996  -10.7009
            14  C1y C    12.4587   -7.3014
            15  C1x C    11.7374   -7.7117
            16  C1x C    12.4622   -6.4732
            17  C8y C    11.0228   -7.2945
            18  O2x O    11.7443   -6.0552
            19  C8y C    11.0263   -6.4663
            20  C8x C    10.3125   -7.7083
            21  C8x C    10.3125   -6.0517
            22  C8x C     9.5945   -7.2945
            23  C8y C     9.5945   -6.4663
            24  O1a O     8.8732   -6.0517
BOND        27
            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     4   8 1
            8     5   9 2
            9     5  10 1
            10    6  11 2
            11    8  12 1
            12    8  13 1
            13   14   9 1 #Up
            14   14  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 2
            19   17  20 1
            20   19  21 1
            21   20  22 2
            22   21  23 2
            23   23  24 1
            24    7   9 1
            25    8  11 1
            26   18  19 1
            27   22  23 1


entry: C10516
name: --- - Pisatin
formula: C17H14O6
kcf:
ATOM        23
            1   C1z C     0.3241    0.3276
            2   C1y C    -0.3897   -0.0759
            3   C8y C     0.9310   -0.2207
            4   C1x C     0.3276    1.1448
            5   O1a O     1.0552    0.8621
            6   C8y C    -1.0897    0.3345
            7   O2x O    -0.2241   -0.8828
            8   C8y C     0.5897   -0.9655
            9   C8x C     1.7483   -0.1448
            10  O2x O    -0.3793    1.5586
            11  C8y C    -1.0862    1.1517
            12  C8x C    -1.7931   -0.0724
            13  C8x C     1.0655   -1.6379
            14  C8y C     2.2241   -0.8172
            15  C8x C    -1.7931    1.5586
            16  C8x C    -2.5035    0.3345
            17  C8y C     1.8828   -1.5655
            18  O2x O     3.0448   -0.9138
            19  C8y C    -2.5035    1.1517
            20  O2x O     2.4862   -2.1241
            21  C1x C     3.2034   -1.7207
            22  O2a O    -3.2069    1.5621
            23  C1a C    -3.9138    1.1517
BOND        27
            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 2
            8     3   9 1
            9     4  10 1
            10    6  11 2
            11    6  12 1
            12    8  13 1
            13    9  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   14  18 1
            18   15  19 2
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   22  23 1
            23    7   8 1
            24   10  11 1
            25   14  17 1
            26   16  19 1
            27   20  21 1


entry: C10517
name: --- - 2-(beta-D-Glucosyl)-sn-glycerol 3-phosphate
formula: C9H19O11P
kcf:
ATOM        21
            1   C1y C    -0.5276    0.1310
            2   O2x O    -1.2448    0.5483
            3   C1y C    -0.5276   -0.7000
            4   O2a O     0.1897    0.5483
            5   C1y C    -1.9655    0.1310
            6   C1y C    -1.2448   -1.1103
            7   O1a O     0.1897   -1.1103
            8   C1c C     0.9586    0.8793
            9   C1y C    -1.9655   -0.7000
            10  C1b C    -2.6793    0.5483
            11  O1a O    -1.2448   -1.9414
            12  C1b C     1.6724    0.4690
            13  C1b C     1.0069    1.7035
            14  O1a O    -2.6793   -1.1103
            15  O1a O    -2.6862    1.3793
            16  O2b O     1.6690   -0.3586
            17  O1a O     0.2897    2.1172
            18  P1b P     2.4931   -0.3586
            19  O1c O     2.4897    0.4690
            20  O1c O     3.3172   -0.3586
            21  O3b O     2.4897   -1.1828
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 1
            12    8  13 1
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 1
            16   13  17 1
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21    6   9 1


entry: C10518
name: --- - Piscerythramine
formula: C26H29NO6
kcf:
ATOM        33
            1   C8y C     0.5483   -0.0931
            2   C8y C    -0.1690    0.3276
            3   C8y C     1.2621    0.3241
            4   C8y C     0.5379   -0.9207
            5   C8y C    -0.8897   -0.0862
            6   C8x C    -0.1655    1.1586
            7   C8y C     1.9793   -0.0966
            8   C1b C     1.2655    1.1517
            9   C8y C     1.2552   -1.3345
            10  C1b C    -0.1828   -1.3276
            11  C8y C    -1.6069    0.3345
            12  O5x O    -0.8966   -0.9103
            13  O2x O    -0.8828    1.5724
            14  C8y C     1.9759   -0.9276
            15  O2a O     2.6966    0.3172
            16  C2b C     1.9862    1.5621
            17  O1a O     1.2517   -2.1655
            18  C2b C    -0.1862   -2.1552
            19  C8y C    -1.6035    1.1621
            20  C8y C    -2.3207   -0.0828
            21  N1a N     2.6897   -1.3414
            22  C1a C     3.4138   -0.1034
            23  C2c C     1.9862    2.3931
            24  C2c C    -0.9103   -2.5690
            25  C8x C    -2.3207    1.5759
            26  C8x C    -3.0345    0.3345
            27  O1a O    -2.3172   -0.9103
            28  C1a C     2.7034    2.8069
            29  C1a C     1.2690    2.8103
            30  C1a C    -0.9138   -3.3966
            31  C1a C    -1.6241   -2.1483
            32  C8y C    -3.0345    1.1621
            33  O1a O    -3.7552    1.5759
BOND        35
            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     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    8  16 1
            16    9  17 1
            17   10  18 1
            18   11  19 2
            19   11  20 1
            20   14  21 1
            21   15  22 1
            22   16  23 2
            23   18  24 2
            24   19  25 1
            25   20  26 2
            26   20  27 1
            27   23  28 1
            28   23  29 1
            29   24  30 1
            30   24  31 1
            31   25  32 2
            32   32  33 1
            33    9  14 2
            34   13  19 1
            35   26  32 1


entry: C10519
name: --- - Pomiferin
formula: C25H24O6
kcf:
ATOM        31
            1   C8y C     0.1414    0.7483
            2   C8y C    -0.5690    1.1586
            3   C8y C     0.1379   -0.0759
            4   O2x O     0.8586    1.1586
            5   C8y C    -1.2862    0.7483
            6   C2x C    -0.5655    1.9828
            7   C8y C    -0.5724   -0.4897
            8   C8y C     0.8517   -0.4931
            9   C8x C     1.5690    0.7414
            10  C8y C    -1.2862   -0.0759
            11  O2x O    -2.0000    1.1655
            12  C2x C    -1.2759    2.4000
            13  O1a O    -0.5690   -1.3138
            14  C8y C     1.5655   -0.0828
            15  O5x O     0.8483   -1.3172
            16  C1b C    -2.0000   -0.4897
            17  C1z C    -1.9966    1.9931
            18  C8y C     2.2793   -0.4966
            19  C2b C    -2.7172   -0.0759
            20  C1a C    -2.7069    2.4103
            21  C1a C    -2.7448    1.5793
            22  C8x C     2.2724   -1.3207
            23  C8x C     2.9897   -0.0897
            24  C2c C    -3.4310   -0.4897
            25  C8y C     2.9828   -1.7379
            26  C8x C     3.7034   -0.5034
            27  C1a C    -4.1448   -0.0793
            28  C1a C    -3.4310   -1.3138
            29  C8y C     3.7000   -1.3276
            30  O1a O     2.9793   -2.5621
            31  O1a O     4.4138   -1.7448
BOND        34
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            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    6  12 2
            12    7  13 1
            13    8  14 1
            14    8  15 2
            15   10  16 1
            16   11  17 1
            17   14  18 1
            18   16  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 2
            24   22  25 1
            25   23  26 2
            26   24  27 1
            27   24  28 1
            28   25  29 2
            29   25  30 1
            30   29  31 1
            31    7  10 2
            32    9  14 2
            33   12  17 1
            34   26  29 1


entry: C10520
name: --- - Pratensein
formula: C16H12O6
kcf:
ATOM        22
            1   C8y C    -1.2345    1.1759
            2   C8y C    -1.2414    0.3483
            3   O2x O    -0.5172    1.5862
            4   C8x C    -1.9517    1.5897
            5   C8y C    -0.5241   -0.0724
            6   C8y C    -1.9517   -0.0690
            7   C8x C     0.2000    1.1690
            8   C8y C    -2.6690    1.1759
            9   C8y C     0.1966    0.3414
            10  O5x O    -0.5276   -0.9034
            11  C8x C    -2.6690    0.3483
            12  O1a O    -1.9517   -0.9000
            13  O1a O    -3.3862    1.5897
            14  C8y C     0.9138   -0.0793
            15  C8x C     0.9069   -0.9069
            16  C8x C     1.6310    0.3345
            17  C8y C     1.6241   -1.3241
            18  C8x C     2.3483   -0.0828
            19  C8y C     2.3448   -0.9138
            20  O1a O     1.6207   -2.1517
            21  O2a O     3.0552   -1.3276
            22  C1a C     3.7759   -0.9207
BOND        24
            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 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    8  13 1
            13    9  14 1
            14   14  15 2
            15   14  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   17  20 1
            20   19  21 1
            21   21  22 1
            22    7   9 2
            23    8  11 1
            24   18  19 1


entry: C10521
name: --- - Prunetin
formula: C16H12O5
kcf:
ATOM        21
            1   C8y C    -0.7828    0.9724
            2   C8y C    -0.7862    0.1414
            3   C8x C    -1.5000    1.3897
            4   O2x O    -0.0621    1.3862
            5   C8y C    -0.0690   -0.2724
            6   C8y C    -1.5000   -0.2690
            7   C8y C    -2.2207    0.9724
            8   C8x C     0.6552    0.9655
            9   C8y C     0.6517    0.1345
            10  O5x O    -0.0724   -1.1035
            11  C8x C    -2.2207    0.1414
            12  O1a O    -1.4966   -1.1000
            13  O2a O    -2.9345    1.3897
            14  C8y C     1.3690   -0.2793
            15  C1a C    -3.6517    0.9724
            16  C8x C     1.3586   -1.1069
            17  C8x C     2.0828    0.1310
            18  C8x C     2.0759   -1.5276
            19  C8x C     2.7966   -0.2862
            20  C8y C     2.7931   -1.1138
            21  O1a O     3.5103   -1.5345
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 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   13  15 1
            15   14  16 2
            16   14  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    7  11 1
            22    8   9 2
            23   19  20 1


entry: C10522
name: --- - Pseudobaptigenin
formula: C16H10O5
kcf:
ATOM        21
            1   C8y C     0.8690   -0.0517
            2   C8y C     0.1552    0.3621
            3   C8x C     0.8621   -0.8759
            4   C8x C     1.5793    0.3586
            5   C8y C    -0.5621   -0.0448
            6   C8x C     0.1586    1.1897
            7   C8y C     1.5724   -1.2966
            8   C8x C     2.2931   -0.0586
            9   C8y C    -1.2724    0.3690
            10  O5x O    -0.5655   -0.8724
            11  O2x O    -0.5552    1.6035
            12  C8y C     2.2897   -0.8828
            13  O2x O     1.7448   -2.1069
            14  C8y C    -1.2690    1.1931
            15  C8x C    -1.9828   -0.0414
            16  O2x O     2.9035   -1.4379
            17  C1x C     2.5690   -2.1931
            18  C8x C    -1.9828    1.6069
            19  C8x C    -2.6966    0.3690
            20  C8y C    -2.6966    1.1931
            21  O1a O    -3.4138    1.6069
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13    9  14 2
            14    9  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   18  20 2
            20   20  21 1
            21    8  12 1
            22   11  14 1
            23   16  17 1
            24   19  20 1


entry: C10523
name: --- - Psoralidin
formula: C20H16O5
kcf:
ATOM        25
            1   C8y C     0.5828   -0.1448
            2   C8y C     1.3035    0.2655
            3   C8y C    -0.1241    0.2690
            4   O2x O     0.7517   -0.9586
            5   C8y C     1.9172   -0.2931
            6   C8y C     1.3069    1.0897
            7   C8y C    -0.1207    1.0966
            8   C8x C    -0.8345   -0.1414
            9   C8y C     1.5724   -1.0483
            10  C8x C     2.7448   -0.2172
            11  O7x O     0.5966    1.5035
            12  O7x O     2.0241    1.5000
            13  C8x C    -0.8345    1.5069
            14  C8y C    -1.5483    0.2690
            15  C8x C     2.0517   -1.7241
            16  C8x C     3.2241   -0.8931
            17  C8y C    -1.5483    1.0966
            18  C1b C    -2.2621   -0.1414
            19  C8y C     2.8759   -1.6483
            20  O1a O    -2.2621    1.5069
            21  C2b C    -2.9793    0.2690
            22  O1a O     3.3552   -2.3207
            23  C2c C    -3.6931   -0.1414
            24  C1a C    -4.4069    0.2690
            25  C1a C    -3.6931   -0.9690
BOND        28
            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 1
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   10  16 2
            16   13  17 2
            17   14  18 1
            18   15  19 2
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   21  23 2
            23   23  24 1
            24   23  25 1
            25    5   9 2
            26    7  11 1
            27   14  17 1
            28   16  19 1


entry: C10524
name: --- - Puerarin
formula: C21H20O9
kcf:
ATOM        30
            1   C1y C     3.0152  -11.4920
            2   C1y C     2.3044  -11.0662
            3   C1y C     2.3204  -10.2371
            4   C1y C     3.0469   -9.8345
            5   C1y C     3.7574  -10.2649
            6   O2x O     3.7413  -11.0940
            7   O1a O     1.5823  -11.4651
            8   O1a O     1.6141   -9.8068
            9   O1a O     3.0630   -9.0055
            10  C1b C     4.4840   -9.8623
            11  O1a O     4.4985   -9.0374
            12  C8y C     2.9992  -12.3185
            13  C8y C     3.7165  -12.7323
            14  C8y C     3.7130  -13.5634
            15  O2x O     4.4372  -12.3220
            16  C8y C     2.2786  -12.7323
            17  C8y C     4.4303  -13.9772
            18  C8x C     2.9992  -13.9772
            19  C8x C     5.1544  -12.7392
            20  C8x C     2.2786  -13.5634
            21  O1a O     1.5648  -12.3151
            22  C8y C     5.1510  -13.5703
            23  O5x O     4.4268  -14.8082
            24  C8y C     5.8648  -13.9841
            25  C8x C     5.8579  -14.8116
            26  C8x C     6.5820  -13.5737
            27  C8x C     6.5751  -15.2323
            28  C8x C     7.2958  -13.9910
            29  C8y C     7.2924  -14.8185
            30  O1a O     8.0096  -15.2392
BOND        33
            1     4   9 1 #Down
            2     5  10 1 #Up
            3    10  11 1
            4     1  12 1 #Up
            5     1   2 1
            6     2   3 1
            7     3   4 1
            8     4   5 1
            9     5   6 1
            10    6   1 1
            11    2   7 1 #Down
            12    3   8 1 #Up
            13   13  12 1
            14   13  14 2
            15   13  15 1
            16   12  16 2
            17   14  17 1
            18   14  18 1
            19   15  19 1
            20   16  20 1
            21   16  21 1
            22   17  22 1
            23   17  23 2
            24   22  24 1
            25   24  25 2
            26   24  26 1
            27   25  27 1
            28   26  28 2
            29   27  29 2
            30   29  30 1
            31   18  20 2
            32   19  22 2
            33   28  29 1


entry: C10525
name: --- - Rotenonone
formula: C23H18O7
kcf:
ATOM        30
            1   C8y C     0.4069   -0.3586
            2   C8y C     1.1138   -0.8000
            3   C8y C    -0.3172   -0.7552
            4   C8y C     0.4276    0.4621
            5   C8y C     1.0897   -1.6241
            6   C8x C     1.8448   -0.4103
            7   O2x O    -1.0138   -0.3621
            8   C8y C    -0.3414   -1.5862
            9   C8y C    -0.2724    0.8931
            10  O5x O     1.1586    0.8586
            11  C8x C     1.7897   -2.0655
            12  O7x O     0.3586   -2.0172
            13  C8y C     2.5483   -0.8414
            14  C8y C    -0.9966    0.4966
            15  O7x O    -1.0690   -1.9793
            16  C8x C    -0.2552    1.7138
            17  C8y C     2.5207   -1.6759
            18  O2a O     3.2793   -0.4517
            19  C8y C    -1.6931    0.9276
            20  C8x C    -0.9517    2.1379
            21  O2a O     3.2172   -2.1069
            22  C1a C     3.9793   -0.8862
            23  C8y C    -1.6724    1.7414
            24  C1x C    -2.4724    0.6931
            25  C1a C     3.9448   -1.7172
            26  O2x O    -2.4414    2.0069
            27  C1y C    -2.9345    1.3621
            28  C2c C    -3.5034    1.9759
            29  C1a C    -4.2483    1.5724
            30  C2a C    -3.4724    2.8172
BOND        34
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 2
            15    9  16 1
            16   11  17 2
            17   13  18 1
            18   14  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   19  23 2
            23   19  24 1
            24   21  25 1
            25   23  26 1
            26   24  27 1
            27   27  28 1 #Down
            28   28  29 1
            29   28  30 2
            30    8  12 1
            31    9  14 2
            32   13  17 1
            33   20  23 1
            34   26  27 1


entry: C10526
name: --- - (-)-Sativan
formula: C17H18O4
kcf:
ATOM        21
            1   C1y C     5.4391   -6.0531
            2   C8y C     6.1564   -6.4669
            3   C1x C     4.7184   -6.4635
            4   C1x C     5.4426   -5.2221
            5   C8y C     6.1495   -7.2980
            6   C8x C     6.8736   -6.0566
            7   C8y C     4.0012   -6.0462
            8   O2x O     4.7253   -4.8048
            9   C8x C     6.8667   -7.7152
            10  O2a O     5.4288   -7.7083
            11  C8x C     7.5908   -6.4738
            12  C8y C     4.0046   -5.2186
            13  C8x C     3.2908   -6.4600
            14  C8y C     7.5874   -7.3014
            15  C8x C     3.2908   -4.8014
            16  C8x C     2.5736   -6.0462
            17  O2a O     8.2977   -7.7221
            18  C8y C     2.5736   -5.2186
            19  C1a C     9.0184   -7.3083
            20  O1a O     1.8564   -4.8014
            21  C1a C     5.4208   -8.5333
BOND        23
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 2
            12    7  13 1
            13    9  14 2
            14   12  15 1
            15   13  16 2
            16   14  17 1
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20    8  12 1
            21   11  14 1
            22   16  18 1
            23   10  21 1


entry: C10527
name: --- - Sayanedine
formula: C17H14O5
kcf:
ATOM        22
            1   C8y C     0.2276    0.0931
            2   C8y C     0.9448   -0.3207
            3   C8y C    -0.4897   -0.3172
            4   C8x C     0.2310    0.9241
            5   C8x C     1.6621    0.0897
            6   C8x C     0.9379   -1.1517
            7   C8y C    -1.2069    0.1000
            8   O5x O    -0.4931   -1.1448
            9   O2x O    -0.4828    1.3414
            10  C8y C     2.3793   -0.3276
            11  C8x C     1.6552   -1.5690
            12  C8y C    -1.2000    0.9276
            13  C8x C    -1.9172   -0.3138
            14  C8y C     2.3759   -1.1552
            15  O2a O     3.0966    0.0828
            16  C8x C    -1.9172    1.3448
            17  C8x C    -2.6379    0.1000
            18  O1a O     3.0897   -1.5759
            19  C1a C     3.8138   -0.3345
            20  C8y C    -2.6379    0.9276
            21  O2a O    -3.3552    1.3448
            22  C1a C    -4.0759    0.9310
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13   10  14 1
            14   10  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 2
            20   20  21 1
            21   21  22 1
            22    9  12 1
            23   11  14 2
            24   17  20 1


entry: C10528
name: --- - 1-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate
formula: C12H16NO9P
comment: enol form (see also keto form [CPD:C01302])
kcf:
ATOM        23
            1   C8y C    19.9958  -19.8100
            2   C8y C    19.9958  -18.3922
            3   N1b N    21.2036  -20.5102
            4   C8x C    18.7705  -20.5278
            5   C8x C    18.7705  -17.6978
            6   C6a C    21.1976  -17.6921
            7   C2b C    22.4171  -19.8100
            8   C8x C    17.5568  -19.8100
            9   C8x C    17.5568  -18.3922
            10  O6a O    22.4171  -18.3922
            11  O6a O    21.1919  -16.2976
            12  C2c C    23.6308  -20.5045
            13  C1c C    24.8327  -19.8043
            14  O1a O    23.6132  -21.8932
            15  C1c C    26.0405  -20.4985
            16  O1a O    24.8270  -18.4039
            17  C1b C    27.2483  -19.7926
            18  O1a O    26.0465  -21.8932
            19  O2b O    28.4621  -20.4811
            20  P1b P    29.6639  -19.7867
            21  O1c O    30.1949  -21.0529
            22  O1c O    29.1446  -18.5264
            23  O3b O    31.0059  -19.2266
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     6  10 1
            10    6  11 2
            11    7  12 2
            12   12  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1 #Down
            16   15  17 1
            17   15  18 1 #Up
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23    8   9 1


entry: C10529
name: --- - Sojagol
formula: C20H16O5
kcf:
ATOM        25
            1   C8y C     0.0759    0.8759
            2   C8y C    -0.6483    0.4655
            3   C8y C     0.6897    0.3172
            4   C8y C     0.0793    1.7000
            5   C8y C    -1.3552    0.8793
            6   O2x O    -0.4793   -0.3483
            7   C8y C     0.3414   -0.4379
            8   C8x C     1.5138    0.3931
            9   O7x O    -0.6345    2.1138
            10  O7x O     0.7931    2.1103
            11  C8y C    -1.3517    1.7069
            12  C8x C    -2.0621    0.4690
            13  C8y C     0.8276   -1.1138
            14  C8x C     1.9931   -0.2828
            15  C8x C    -2.0621    2.1172
            16  C8x C    -2.7793    0.8793
            17  C8y C     1.6483   -1.0379
            18  C1x C     0.4828   -1.8621
            19  C8y C    -2.7793    1.7069
            20  O2x O     2.1241   -1.7103
            21  C1x C     0.9586   -2.5379
            22  O1a O    -3.4931    2.1172
            23  C1z C     1.7793   -2.4621
            24  C1a C     2.5655   -2.8000
            25  C1a C     1.7724   -3.2586
BOND        29
            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 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    7  13 1
            13    8  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   13  18 1
            18   15  19 2
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23   23  24 1
            24   23  25 1
            25    6   7 1
            26    9  11 1
            27   14  17 1
            28   16  19 1
            29   21  23 1


entry: C10530
name: --- - Sophoraisoflavanone A
formula: C21H22O6
kcf:
ATOM        27
            1   C8y C     0.6931    0.5172
            2   C1y C    -0.0207    0.9310
            3   C8y C     0.6828   -0.3069
            4   C8x C     1.4034    0.9276
            5   C5x C    -0.7379    0.5241
            6   C1x C    -0.0172    1.7586
            7   C8y C     1.3966   -0.7241
            8   O2a O    -0.0345   -0.7138
            9   C8x C     2.1172    0.5103
            10  C8y C    -1.4517    0.9379
            11  O5x O    -0.7414   -0.3034
            12  O2x O    -0.7310    2.1724
            13  C8y C     2.1138   -0.3138
            14  C1b C     1.3931   -1.5483
            15  C1a C    -0.0379   -1.5379
            16  C8y C    -1.4483    1.7621
            17  C8y C    -2.1586    0.5276
            18  O1a O     2.8241   -0.7276
            19  C2b C     2.1069   -1.9621
            20  C8x C    -2.1586    2.1759
            21  C8x C    -2.8759    0.9379
            22  O1a O    -2.1552   -0.3000
            23  C2c C     2.1034   -2.7897
            24  C8y C    -2.8759    1.7621
            25  C1a C     2.8138   -3.2034
            26  C1a C     1.3862   -3.1966
            27  O1a O    -3.5897    2.1759
BOND        29
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 2
            13    7  14 1
            14    8  15 1
            15   10  16 2
            16   10  17 1
            17   13  18 1
            18   14  19 1
            19   16  20 1
            20   17  21 2
            21   17  22 1
            22   19  23 2
            23   20  24 2
            24   23  25 1
            25   23  26 1
            26   24  27 1
            27    9  13 1
            28   12  16 1
            29   21  24 1


entry: C10531
name: --- - (-)-Sparticarpin
formula: C17H16O5
kcf:
ATOM        22
            1   C1y C     0.2724   -0.1655
            2   C1y C     0.9828    0.2414
            3   C8y C    -0.4276    0.2483
            4   O2x O     0.4379   -0.9690
            5   C8y C     1.5931   -0.3103
            6   C1x C     0.9862    1.0586
            7   C8y C    -0.4241    1.0655
            8   C8x C    -1.1310   -0.1586
            9   C8y C     1.2517   -1.0586
            10  C8x C     2.4103   -0.2345
            11  O2x O     0.2828    1.4690
            12  C8x C    -1.1310    1.4724
            13  C8y C    -1.8414    0.2483
            14  C8x C     1.7276   -1.7276
            15  C8x C     2.8862   -0.9034
            16  C8y C    -1.8414    1.0655
            17  O2a O    -2.5448   -0.1621
            18  C8y C     2.5448   -1.6483
            19  O2a O    -2.5448    1.4724
            20  C1a C    -3.2517    0.2483
            21  O1a O     3.0138   -2.3172
            22  C1a C    -3.2517    1.0655
BOND        25
            1     1   2 1
            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 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   12  16 2
            16   13  17 1
            17   14  18 2
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22    5   9 2
            23    7  11 1
            24   13  16 1
            25   15  18 1


entry: C10532
name: --- - Sumatrol
formula: C23H22O7
kcf:
ATOM        30
            1   C1y C     0.3793   -0.4966
            2   C8y C     1.0828   -0.9069
            3   C1y C    -0.3207   -0.9000
            4   C5x C     0.3828    0.3207
            5   C8y C     1.0759   -1.7138
            6   C8x C     1.7862   -0.5034
            7   O2x O    -1.0276   -0.4931
            8   C1x C    -0.3276   -1.7103
            9   C8y C    -0.3207    0.7310
            10  O5x O     1.0966    0.7276
            11  C8x C     1.7724   -2.1241
            12  O2x O     0.3759   -2.1172
            13  C8y C     2.4793   -0.9172
            14  C8y C    -1.0241    0.3207
            15  C8y C    -0.3207    1.5483
            16  C8y C     2.4759   -1.7241
            17  O2a O     3.1931   -0.5103
            18  C8y C    -1.7310    0.7310
            19  C8x C    -1.0241    1.9552
            20  O1a O     0.3862    1.9552
            21  O2a O     3.1828   -2.1379
            22  C1a C     3.8966   -0.9207
            23  C8y C    -1.7276    1.5448
            24  C1x C    -2.5103    0.4793
            25  C1a C     3.8931   -1.7345
            26  O2x O    -2.5035    1.7966
            27  C1y C    -2.9828    1.1448
            28  C2c C    -3.6276    1.7069
            29  C1a C    -4.3897    1.4172
            30  C2a C    -3.6276    2.5345
BOND        34
            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     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15   11  16 2
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   18  23 2
            23   18  24 1
            24   21  25 1
            25   23  26 1
            26   24  27 1
            27   27  28 1 #Down
            28   28  29 1
            29   28  30 2
            30    8  12 1
            31    9  14 2
            32   13  16 1
            33   19  23 1
            34   26  27 1


entry: C10533
name: --- - Tectoridin
formula: C22H22O11
kcf:
ATOM        33
            1   C8y C     0.8552    0.2034
            2   C8y C     0.8517   -0.6172
            3   C8x C     0.1483    0.6103
            4   O2x O     1.5655    0.6069
            5   C8y C     1.5586   -1.0345
            6   C8y C     0.1483   -1.0310
            7   C8y C    -0.5655    0.2034
            8   C8x C     2.2759    0.1966
            9   C8y C     2.2724   -0.6241
            10  O5x O     1.5552   -1.8552
            11  C8y C    -0.5655   -0.6172
            12  O1a O     0.1483   -1.8517
            13  O2a O    -1.3069    0.6931
            14  C8y C     2.9793   -1.0414
            15  O2a O    -1.2793   -1.0310
            16  C1y C    -2.1414    1.1483
            17  C8x C     3.6897   -0.6310
            18  C8x C     2.9724   -1.8586
            19  C1a C    -1.2793   -1.8517
            20  O2x O    -2.1552    1.9655
            21  C1y C    -2.8483    0.7241
            22  C8x C     4.4000   -1.0414
            23  C8x C     3.6828   -2.2724
            24  C1y C    -2.8759    2.3621
            25  C1y C    -3.5621    1.1207
            26  O1a O    -2.8310   -0.0966
            27  C8y C     4.3966   -1.8655
            28  C1y C    -3.5793    1.9414
            29  C1b C    -2.8931    3.1828
            30  O1a O    -4.2655    0.6931
            31  O1a O     5.1069   -2.2759
            32  O1a O    -4.2966    2.3379
            33  O1a O    -2.1862    3.6103
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 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   16  13 1 #Up
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20   16  21 1
            21   17  22 2
            22   18  23 1
            23   20  24 1
            24   21  25 1
            25   21  26 1 #Down
            26   22  27 1
            27   24  28 1
            28   24  29 1 #Up
            29   25  30 1 #Up
            30   27  31 1
            31   28  32 1 #Down
            32   29  33 1
            33    7  11 1
            34    8   9 2
            35   23  27 2
            36   25  28 1


entry: C10534
name: --- - Tectorigenin
formula: C16H12O6
kcf:
ATOM        22
            1   C8y C    -0.6517    0.1931
            2   C8y C    -0.6483    1.0207
            3   C8y C     0.0655   -0.2241
            4   C8y C    -1.3655   -0.2207
            5   C8x C    -1.3655    1.4379
            6   O2x O     0.0724    1.4345
            7   C8y C     0.7828    0.1862
            8   O5x O     0.0586   -1.0517
            9   C8y C    -2.0862    0.1931
            10  O1a O    -1.3655   -1.0483
            11  C8y C    -2.0828    1.0241
            12  C8x C     0.7862    1.0138
            13  C8y C     1.5000   -0.2310
            14  O2a O    -2.8000   -0.2207
            15  O1a O    -2.7966    1.4379
            16  C8x C     1.4931   -1.0586
            17  C8x C     2.2138    0.1793
            18  C1a C    -3.5138    0.1931
            19  C8x C     2.2069   -1.4759
            20  C8x C     2.9310   -0.2345
            21  C8y C     2.9276   -1.0621
            22  O1a O     3.6414   -1.4759
BOND        24
            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 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   16  19 1
            19   17  20 2
            20   19  21 2
            21   21  22 1
            22    7  12 2
            23    9  11 1
            24   20  21 1


entry: C10535
name: --- - Tephrosin
formula: C23H22O7
kcf:
ATOM        30
            1   C1z C     0.3379   -0.3862
            2   C8y C     1.0379   -0.7931
            3   C1y C    -0.3759   -0.7862
            4   C5x C     0.3379    0.4345
            5   O1a O     1.1207    0.1345
            6   C8y C     1.0345   -1.6069
            7   C8x C     1.7448   -0.3966
            8   O2x O    -1.0862   -0.3793
            9   C1x C    -0.3793   -1.6000
            10  C8y C    -0.3724    0.8483
            11  O5x O     1.0517    0.8448
            12  C8x C     1.7345   -2.0207
            13  O2x O     0.3276   -2.0138
            14  C8y C     2.4448   -0.8034
            15  C8y C    -1.0828    0.4379
            16  C8x C    -0.3724    1.6690
            17  C8y C     2.4379   -1.6172
            18  O2a O     3.1586   -0.4000
            19  C8y C    -1.7931    0.8483
            20  C8x C    -1.0793    2.0759
            21  O2a O     3.1448   -2.0345
            22  C1a C     3.8655   -0.8138
            23  C8y C    -1.7931    1.6690
            24  C2x C    -2.5035    0.4345
            25  C1a C     3.8586   -1.6276
            26  O2x O    -2.5035    2.0759
            27  C2x C    -3.2138    0.8483
            28  C1z C    -3.2138    1.6690
            29  C1a C    -3.9276    2.0828
            30  C1a C    -3.9103    1.1897
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            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    6  13 1
            13    7  14 2
            14    8  15 1
            15   10  16 1
            16   12  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   19  23 2
            23   19  24 1
            24   21  25 1
            25   23  26 1
            26   24  27 2
            27   26  28 1
            28   28  29 1
            29   28  30 1
            30    9  13 1
            31   10  15 2
            32   14  17 1
            33   20  23 1
            34   27  28 1


entry: C10536
name: --- - Texasin
formula: C16H12O5
kcf:
ATOM        21
            1   C8y C    -1.0931    0.2034
            2   C8y C    -1.0897    1.0310
            3   C8y C    -0.3759   -0.2138
            4   C8x C    -1.8069   -0.2103
            5   C8x C    -1.8069    1.4483
            6   O2x O    -0.3690    1.4448
            7   C8y C     0.3448    0.1966
            8   O5x O    -0.3793   -1.0414
            9   C8y C    -2.5241    0.2034
            10  C8y C    -2.5241    1.0310
            11  C8x C     0.3483    1.0241
            12  C8y C     1.0586   -0.2207
            13  O1a O    -3.2414   -0.2103
            14  O1a O    -3.2414    1.4483
            15  C8x C     1.0517   -1.0483
            16  C8x C     1.7759    0.1897
            17  C8x C     1.7690   -1.4690
            18  C8x C     2.4931   -0.2241
            19  C8y C     2.4897   -1.0552
            20  O2a O     3.2034   -1.4724
            21  C1a C     3.9241   -1.0586
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     3   8 2
            8     4   9 2
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    9  13 1
            13   10  14 1
            14   12  15 2
            15   12  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20   20  21 1
            21    7  11 2
            22    9  10 1
            23   18  19 1


entry: C10537
name: --- - Toxicarol - alpha-Toxicarol
formula: C23H22O7
kcf:
ATOM        30
            1   C1y C     0.3621   -0.4448
            2   C8y C     1.0621   -0.8586
            3   C1y C    -0.3517   -0.8448
            4   C5x C     0.3690    0.3724
            5   C8y C     1.0483   -1.6690
            6   C8x C     1.7655   -0.4655
            7   O2x O    -1.0586   -0.4310
            8   C1x C    -0.3586   -1.6586
            9   C8y C    -0.3379    0.7897
            10  O5x O     1.0828    0.7759
            11  C8x C     1.7414   -2.0828
            12  O2x O     0.3448   -2.0724
            13  C8y C     2.4621   -0.8793
            14  C8y C    -1.0517    0.3862
            15  C8y C    -0.3345    1.6103
            16  C8y C     2.4483   -1.6862
            17  O2a O     3.1759   -0.4793
            18  C8y C    -1.7586    0.7966
            19  C8x C    -1.0448    2.0207
            20  O1a O     0.3793    2.0138
            21  O2a O     3.1517   -2.1103
            22  C1a C     3.8828   -0.9000
            23  C8y C    -1.7552    1.6172
            24  C2x C    -2.4655    0.3828
            25  C1a C     3.8690   -1.7069
            26  O2x O    -2.4655    2.0241
            27  C2x C    -3.1759    0.7966
            28  C1z C    -3.1759    1.6172
            29  C1a C    -3.8862    2.0241
            30  C1a C    -3.9207    1.0759
BOND        34
            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     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15   11  16 2
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   18  23 2
            23   18  24 1
            24   21  25 1
            25   23  26 1
            26   24  27 2
            27   26  28 1
            28   28  29 1
            29   28  30 1
            30    8  12 1
            31    9  14 2
            32   13  16 1
            33   19  23 1
            34   27  28 1


entry: C10538
name: --- - Trifolirhizin
formula: C22H22O10
kcf:
ATOM        32
            1   C1y C     1.2724   -0.2241
            2   C1y C     1.9862    0.1862
            3   C8y C     0.5724    0.1897
            4   O2x O     1.4379   -1.0276
            5   C8y C     2.5931   -0.3690
            6   C1x C     1.9897    1.0035
            7   C8y C     0.5759    1.0103
            8   C8x C    -0.1276   -0.2207
            9   C8y C     2.2517   -1.1138
            10  C8x C     3.4103   -0.2897
            11  O2x O     1.2828    1.4138
            12  C8x C    -0.1276    1.4172
            13  C8x C    -0.8379    0.1931
            14  C8x C     2.7276   -1.7862
            15  C8y C     3.8862   -0.9621
            16  C8y C    -0.8379    1.0103
            17  C8y C     3.5448   -1.7103
            18  O2x O     4.7034   -1.0552
            19  O2a O    -1.6207    1.5379
            20  O2x O     4.1483   -2.2724
            21  C1x C     4.8690   -1.8690
            22  C1y C    -2.4000    1.0414
            23  O2x O    -3.1034    1.4517
            24  C1y C    -2.4000    0.2276
            25  C1y C    -3.8103    1.0414
            26  C1y C    -3.1034   -0.1828
            27  O1a O    -1.6897   -0.1828
            28  C1y C    -3.8103    0.2276
            29  C1b C    -4.5207    1.4517
            30  O1a O    -3.1034   -1.0000
            31  O1a O    -4.5207   -0.1828
            32  O1a O    -5.2276    1.0448
BOND        37
            1     1   2 1
            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 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   12  16 2
            16   14  17 2
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21   22  19 1 #Up
            22   22  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26   24  27 1 #Down
            27   25  28 1
            28   25  29 1 #Up
            29   26  30 1 #Up
            30   28  31 1 #Down
            31   29  32 1
            32    5   9 2
            33    7  11 1
            34   13  16 1
            35   15  17 1
            36   20  21 1
            37   26  28 1


entry: C10539
name: --- - (-)-Variabilin
formula: C17H16O5
kcf:
ATOM        22
            1   C1y C    -0.2414   -0.0931
            2   C1z C     0.4793    0.3172
            3   C8y C    -0.9517    0.3241
            4   O2x O    -0.0759   -0.9069
            5   C8y C     1.0931   -0.2414
            6   C1x C     0.4828    1.1414
            7   O1a O     1.1345    0.8138
            8   C8y C    -0.9483    1.1483
            9   C8x C    -1.6586   -0.0897
            10  C8y C     0.7448   -0.9966
            11  C8x C     1.9172   -0.1655
            12  O2x O    -0.2310    1.5586
            13  C8x C    -1.6586    1.5621
            14  C8x C    -2.3759    0.3241
            15  C8x C     1.2276   -1.6724
            16  C8x C     2.3966   -0.8414
            17  C8y C    -2.3759    1.1483
            18  C8y C     2.0517   -1.5931
            19  O2a O    -3.0897    1.5621
            20  O2a O     2.5276   -2.2690
            21  C1a C    -3.8034    1.1483
            22  C1a C     3.3517   -2.1897
BOND        25
            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 2
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22    5  10 2
            23    8  12 1
            24   14  17 1
            25   16  18 1


entry: C10540
name: --- - Vestitol
formula: C16H16O4
kcf:
ATOM        20
            1   C8y C    13.4121   -8.0020
            2   C1y C    12.6948   -7.5848
            3   C8y C    13.4052   -8.8296
            4   C8x C    14.1293   -7.5917
            5   C1x C    11.9741   -7.9951
            6   C1x C    12.6983   -6.7572
            7   C8x C    14.1224   -9.2503
            8   O1a O    12.6845   -9.2400
            9   C8x C    14.8466   -8.0055
            10  C8y C    11.2569   -7.5779
            11  O2x O    11.9810   -6.3365
            12  C8y C    14.8431   -8.8365
            13  C8y C    11.2603   -6.7503
            14  C8x C    10.5465   -7.9917
            15  O2a O    15.5535   -9.2538
            16  C8x C    10.5465   -6.3331
            17  C8x C     9.8293   -7.5779
            18  C1a C    16.2741   -8.8400
            19  C8y C     9.8293   -6.7503
            20  O1a O     9.1121   -6.3331
BOND        22
            1     2   1 1 #Down
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 2
            12   10  13 2
            13   10  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 2
            17   15  18 1
            18   16  19 2
            19   19  20 1
            20    9  12 1
            21   11  13 1
            22   17  19 1


entry: C10541
name: --- - Wedelolactone
formula: C16H10O7
kcf:
ATOM        23
            1   C8y C    -0.1690   -0.1483
            2   C8y C     0.5552    0.2621
            3   C8y C    -0.8759    0.2690
            4   O2x O     0.0000   -0.9586
            5   C8y C     1.1655   -0.2966
            6   C8y C     0.5586    1.0897
            7   C8y C    -0.8724    1.0931
            8   C8y C    -1.5828   -0.1414
            9   C8y C     0.8207   -1.0483
            10  C8x C     1.9931   -0.2172
            11  O7x O    -0.1552    1.5035
            12  O7x O     1.2724    1.4966
            13  C8x C    -1.5828    1.5069
            14  C8x C    -2.3000    0.2690
            15  O1a O    -1.5828   -0.9690
            16  C8x C     1.3000   -1.7276
            17  C8y C     2.4724   -0.8966
            18  C8y C    -2.3000    1.0931
            19  C8y C     2.1276   -1.6483
            20  O1a O     3.2931   -0.8172
            21  O2a O    -3.0138    1.5069
            22  O1a O     2.6034   -2.3207
            23  C1a C    -3.7276    1.0966
BOND        26
            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 1
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    8  15 1
            15    9  16 1
            16   10  17 2
            17   13  18 2
            18   16  19 2
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   21  23 1
            23    5   9 2
            24    7  11 1
            25   14  18 1
            26   17  19 1


entry: C10542
name: --- - Wighteone
formula: C20H18O5
kcf:
ATOM        25
            1   C8y C    -0.1103    0.2310
            2   C8y C    -0.1103    1.0621
            3   C8y C     0.6000   -0.1793
            4   C8y C    -0.8241   -0.1759
            5   C8x C    -0.8241    1.4690
            6   O2x O     0.6000    1.4724
            7   C8y C     1.3172    0.2345
            8   O5x O     0.6000   -1.0000
            9   C8y C    -1.5414    0.2310
            10  O1a O    -0.8241   -1.0000
            11  C8y C    -1.5414    1.0621
            12  C8x C     1.3172    1.0621
            13  C8y C     2.0310   -0.1793
            14  C1b C    -2.2621   -0.1862
            15  O1a O    -2.2621    1.4690
            16  C8x C     2.7414    0.2310
            17  C8x C     2.0310   -1.0069
            18  C2b C    -2.9828    0.2276
            19  C8x C     3.4586   -0.1793
            20  C8x C     2.7414   -1.4172
            21  C2c C    -3.7000   -0.1897
            22  C8y C     3.4586   -1.0069
            23  C1a C    -4.4207    0.2207
            24  C1a C    -3.6897   -1.0172
            25  O1a O     4.1793   -1.4276
BOND        27
            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 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   13  16 1
            16   13  17 2
            17   14  18 1
            18   16  19 2
            19   17  20 1
            20   18  21 2
            21   19  22 1
            22   21  23 1
            23   21  24 1
            24   22  25 1
            25    7  12 2
            26    9  11 1
            27   20  22 2


entry: C10543
name: --- - Acanthoside D - (-)-Syringaresinol di-beta-D-glucoside
formula: C34H46O18
kcf:
ATOM        52
            1   C1y C     5.0496  -12.1693
            2   C1y C     4.8253  -12.9581
            3   C1y C     5.8770  -12.1409
            4   C1x C     4.7652  -11.3908
            5   C8y C     4.1096  -13.3721
            6   O2x O     5.5092  -13.4211
            7   C1y C     6.1047  -11.3487
            8   C1x C     6.1503  -12.9125
            9   O2x O     5.4216  -10.8822
            10  C8x C     4.1096  -14.1927
            11  C8x C     3.4016  -12.9581
            12  C8y C     6.7638  -10.8753
            13  C8y C     3.4016  -14.6026
            14  C8y C     2.6893  -13.3721
            15  C8x C     6.7638  -10.0547
            16  C8x C     7.4753  -11.2893
            17  C8y C     2.6893  -14.1927
            18  O2a O     3.4051  -15.4266
            19  O2a O     1.9745  -12.9581
            20  C8y C     7.4753   -9.6448
            21  C8y C     8.1875  -10.8753
            22  O2a O     1.9745  -14.6026
            23  C1a C     4.1130  -15.8289
            24  C1a C     1.2664  -13.3721
            25  C8y C     8.1875  -10.0547
            26  O2a O     7.4753   -8.8242
            27  O2a O     8.8990  -11.2893
            28  C1y C     1.1186  -15.1147
            29  O2a O     9.0039   -9.4978
            30  C1a C     6.7672   -8.4143
            31  C1a C     9.6112  -10.8753
            32  O2x O     0.4148  -14.7040
            33  C1y C     1.1186  -15.9387
            34  C1y C     9.7161   -9.0837
            35  C1y C    -0.3009  -15.1147
            36  C1y C     0.4148  -16.3451
            37  O1a O     1.8344  -16.3451
            38  O2x O    10.4241   -9.4978
            39  C1y C     9.7161   -8.2598
            40  C1y C    -0.3009  -15.9387
            41  C1b C    -1.0089  -14.7005
            42  O1a O     0.4148  -17.1650
            43  C1y C    11.1363   -9.0837
            44  C1y C    10.4241   -7.8533
            45  O1a O     9.0004   -7.8533
            46  O1a O    -1.0089  -16.3451
            47  O1a O    -1.7129  -15.1147
            48  C1y C    11.1363   -8.2598
            49  C1b C    11.8436   -9.4944
            50  O1a O    10.4276   -7.0374
            51  O1a O    11.8436   -7.8533
            52  O1a O    11.8471  -10.3184
BOND        57
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    7  12 1 #Up
            12   10  13 1
            13   11  14 2
            14   12  15 2
            15   12  16 1
            16   13  17 2
            17   13  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 2
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 2
            25   20  26 1
            26   21  27 1
            27   28  22 1 #Up
            28   25  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   28  33 1
            33   34  29 1 #Up
            34   32  35 1
            35   33  36 1
            36   33  37 1 #Down
            37   34  38 1
            38   34  39 1
            39   35  40 1
            40   35  41 1 #Up
            41   36  42 1 #Up
            42   38  43 1
            43   39  44 1
            44   39  45 1 #Down
            45   40  46 1 #Down
            46   41  47 1
            47   43  48 1
            48   43  49 1 #Up
            49   44  50 1 #Up
            50   48  51 1 #Down
            51   49  52 1
            52    6   8 1
            53    7   9 1
            54   14  17 1
            55   21  25 1
            56   36  40 1
            57   44  48 1


entry: C10544
name: --- - 1-Acetoxypinoresinol
formula: C22H24O8
kcf:
ATOM        30
            1   C1z C     5.5591  -12.0914
            2   C1y C     4.7273  -12.1224
            3   C1y C     5.7866  -11.2906
            4   C1x C     5.8453  -12.8680
            5   O7a O     6.3908  -12.0741
            6   C1y C     4.5025  -12.9197
            7   C1x C     4.4370  -11.3389
            8   C8y C     6.3426  -10.8589
            9   O2x O     5.0962  -10.8210
            10  O2x O     5.1928  -13.3824
            11  C7a C     7.1363  -12.4672
            12  C8y C     3.7887  -13.3335
            13  C8x C     7.0605  -11.2768
            14  C8x C     6.3426  -10.0306
            15  C1a C     7.8543  -12.0534
            16  O7a O     7.1363  -13.2956
            17  C8x C     3.0707  -12.9197
            18  C8x C     3.7887  -14.1618
            19  C8y C     7.7743  -10.8589
            20  C8x C     7.0605   -9.6203
            21  C8y C     2.3527  -13.3335
            22  C8x C     3.0707  -14.5797
            23  C8y C     7.7743  -10.0306
            24  O2a O     8.4922  -11.2768
            25  C8y C     2.3527  -14.1618
            26  O2a O     1.6314  -12.9197
            27  O1a O     8.4922   -9.6203
            28  C1a C     9.2102  -10.8589
            29  O1a O     1.6314  -14.5797
            30  C1a C     0.9134  -13.3335
BOND        33
            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
            7     3   8 1 #Down
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1 #Down
            12    8  13 2
            13    8  14 1
            14   11  15 1
            15   11  16 2
            16   12  17 1
            17   12  18 2
            18   13  19 1
            19   14  20 2
            20   17  21 2
            21   18  22 1
            22   19  23 2
            23   19  24 1
            24   21  25 1
            25   21  26 1
            26   23  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30    6  10 1
            31    7   9 1
            32   20  23 1
            33   22  25 2


entry: C10545
name: --- - (-)-Arctigenin
formula: C21H24O6
kcf:
ATOM        27
            1   C1y C    11.5504   -6.9889
            2   C1y C    10.7187   -6.9889
            3   C1b C    12.2684   -7.4069
            4   C7x C    11.8056   -6.2061
            5   C1b C    10.0007   -7.4069
            6   C1x C    10.4594   -6.2061
            7   C8y C    12.9822   -6.9889
            8   O7x O    11.1325   -5.7157
            9   O7x O    12.5064   -5.7882
            10  C8y C     9.2828   -6.9889
            11  C8x C    13.6968   -7.4069
            12  C8x C    12.9788   -6.1606
            13  C8x C     8.5649   -7.4069
            14  C8x C     9.2828   -6.1606
            15  C8x C    14.4147   -6.9889
            16  C8y C    13.6968   -5.7468
            17  C8x C     7.8469   -6.9889
            18  C8y C     8.5649   -5.7502
            19  C8y C    14.4147   -6.1606
            20  C8y C     7.8469   -6.1606
            21  O1a O    15.1326   -5.7468
            22  O2a O     7.1289   -5.7468
            23  O2a O     8.5649   -4.9252
            24  C1a C     7.8504   -4.5127
            25  C1a C     7.1282   -4.9218
            26  O2a O    13.6968   -4.9218
            27  C1a C    14.4113   -4.5094
BOND        29
            1     2   6 1
            2     3   7 1
            3     4   8 1
            4     4   9 2
            5     5  10 1
            6     7  11 2
            7     7  12 1
            8    10  13 2
            9    10  14 1
            10   11  15 1
            11   12  16 2
            12   13  17 1
            13   14  18 2
            14   15  19 2
            15   17  20 2
            16   19  21 1
            17   20  22 1
            18    6   8 1
            19   16  19 1
            20   18  20 1
            21   18  23 1
            22    1   2 1
            23   23  24 1
            24    1   3 1 #Down
            25   22  25 1
            26    1   4 1
            27   16  26 1
            28    2   5 1 #Up
            29   26  27 1


entry: C10546
name: --- - Austrobailignan 1
formula: C21H18O7
kcf:
ATOM        28
            1   C1y C     5.7654  -11.4708
            2   C8y C     5.0482  -11.0536
            3   C1y C     6.4827  -11.0639
            4   C8y C     5.7620  -12.2984
            5   C8y C     5.0516  -10.2260
            6   C8x C     4.3378  -11.4674
            7   C1y C     6.4895  -10.2329
            8   C7x C     7.2758  -11.3260
            9   C8x C     6.4792  -12.7156
            10  C8x C     5.0413  -12.7156
            11  C1x C     5.7723   -9.8122
            12  C8x C     4.3378   -9.8087
            13  C8y C     3.6171  -11.0536
            14  C1x C     7.2827   -9.9777
            15  O7x O     7.7654  -10.6536
            16  O7x O     7.5240  -12.1156
            17  C8y C     6.4792  -13.5432
            18  C8y C     5.0413  -13.5432
            19  C8y C     3.6171  -10.2225
            20  O2x O     2.8240  -11.3087
            21  C8y C     5.7585  -13.9570
            22  O2x O     7.0895  -14.0984
            23  O2a O     4.3240  -13.9570
            24  O2x O     2.8275   -9.9605
            25  C1x C     2.3413  -10.6329
            26  O2x O     5.9275  -14.7674
            27  C1x C     6.7516  -14.8536
            28  C1a C     3.6033  -13.5467
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 2
            18   12  19 2
            19   13  20 1
            20   17  21 2
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28    7  11 1
            29   13  19 1
            30   14  15 1
            31   18  21 1
            32   24  25 1
            33   26  27 1


entry: C10547
name: --- - Burseran
formula: C22H26O6
kcf:
ATOM        28
            1   C8y C     9.5593   -8.3649
            2   C1b C     8.8455   -8.7787
            3   C8x C    10.2696   -8.7787
            4   C8x C     9.5558   -7.5407
            5   C1y C     8.1317   -8.3649
            6   C8y C    10.9834   -8.3649
            7   C8y C    10.2696   -7.1269
            8   C1y C     7.3041   -8.3649
            9   C1x C     8.3868   -7.5821
            10  C8y C    10.9834   -7.5407
            11  O2a O    11.7006   -8.7752
            12  O2a O    10.2696   -6.3028
            13  C1b C     6.5903   -8.7787
            14  C1x C     7.0489   -7.5821
            15  O2x O     7.7179   -7.0959
            16  O2a O    11.6972   -7.1269
            17  C1a C    12.4144   -8.3649
            18  C1a C    10.9834   -5.8890
            19  C8y C     5.8765   -8.3649
            20  C8x C     5.8800   -7.5407
            21  C8x C     5.1662   -8.7787
            22  C8y C     5.1731   -7.1269
            23  C8x C     4.4524   -8.3649
            24  C8y C     4.4524   -7.5373
            25  O2x O     5.0041   -6.3166
            26  O2x O     3.8386   -6.9821
            27  C1x C     4.1800   -6.2269
            28  C1a C    11.6957   -6.3019
BOND        31
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     5   2 1 #Down
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 1
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 1 #Up
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   20  22 1
            22   21  23 2
            23   22  24 2
            24   22  25 1
            25   24  26 1
            26   25  27 1
            27    7  10 1
            28   14  15 1
            29   23  24 1
            30   26  27 1
            31   16  28 1


entry: C10548
name: --- - Cleistanthin A
formula: C28H28O11
kcf:
ATOM        39
            1   C8y C     5.8320  -13.6033
            2   C8y C     5.1251  -13.1930
            3   C8y C     6.5424  -13.2033
            4   C8y C     5.8286  -14.4240
            5   C8y C     5.1286  -12.3723
            6   C8x C     4.4182  -13.6033
            7   C8y C     6.5493  -12.3792
            8   C7x C     7.3251  -13.4620
            9   C8x C     6.5355  -14.8378
            10  C8x C     5.1182  -14.8275
            11  C8y C     5.8389  -11.9620
            12  C8x C     4.4182  -11.9585
            13  C8y C     3.7079  -13.1930
            14  C1x C     7.3355  -12.1275
            15  O7x O     7.8182  -12.7964
            16  O7x O     7.5734  -14.2447
            17  C8y C     6.5320  -15.6585
            18  C8x C     5.1113  -15.6482
            19  O2a O     5.8251  -11.0895
            20  C8y C     3.7079  -12.3723
            21  O2a O     2.9975  -13.6033
            22  C8y C     5.8148  -16.0620
            23  O2x O     7.1389  -16.2137
            24  C1y C     5.8182  -10.1551
            25  O2a O     2.9975  -11.9585
            26  C1a C     2.2837  -13.1930
            27  O2x O     5.9803  -16.8689
            28  C1x C     6.8010  -16.9654
            29  C1y C     5.1113   -9.7447
            30  O2x O     6.5320   -9.7551
            31  C1a C     2.2837  -12.3723
            32  C1y C     5.1148   -8.9240
            33  O1a O     4.3975  -10.1482
            34  C1x C     6.5355   -8.9309
            35  C1y C     5.8286   -8.5171
            36  O2a O     4.4044   -8.5102
            37  O2a O     5.8320   -7.7036
            38  C1a C     3.6941   -8.9206
            39  C1a C     6.5458   -7.2939
BOND        44
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 2
            18   11  19 1
            19   12  20 2
            20   13  21 1
            21   17  22 2
            22   17  23 1
            23   24  19 1 #Either
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28   24  29 1
            29   24  30 1
            30   25  31 1
            31   29  32 1
            32   29  33 1 #Down
            33   30  34 1
            34   32  35 1
            35   32  36 1 #Up
            36   35  37 1 #Down
            37   36  38 1
            38   37  39 1
            39    7  11 2
            40   13  20 1
            41   14  15 1
            42   18  22 1
            43   27  28 1
            44   34  35 1


entry: C10549
name: --- - Cubebin
formula: C20H20O6
kcf:
ATOM        26
            1   C1y C     4.6477  -13.0240
            2   C1y C     5.4753  -13.0240
            3   C1b C     3.9339  -13.4378
            4   C1x C     4.3926  -12.2413
            5   C1b C     6.1891  -13.4378
            6   C1y C     5.7305  -12.2413
            7   C8y C     3.2201  -13.0240
            8   O2x O     5.0615  -11.7551
            9   C8y C     6.9029  -13.0240
            10  O1a O     6.4581  -11.7551
            11  C8x C     3.2236  -12.1999
            12  C8x C     2.5098  -13.4378
            13  C8x C     6.8995  -12.1999
            14  C8x C     7.6133  -13.4378
            15  C8y C     2.5167  -11.7861
            16  C8x C     1.7960  -13.0240
            17  C8y C     7.6167  -11.7826
            18  C8x C     8.3270  -13.0240
            19  C8y C     1.7960  -12.1964
            20  O2x O     2.3477  -10.9757
            21  C8y C     8.3270  -12.1999
            22  O2x O     7.7926  -10.9757
            23  O2x O     1.1822  -11.6413
            24  C1x C     1.5236  -10.8861
            25  O2x O     8.9443  -11.6516
            26  C1x C     8.6133  -10.8964
BOND        30
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1 #Down
            10    7  11 2
            11    7  12 1
            12    9  13 1
            13    9  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   17  21 1
            21   17  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26    6   8 1
            27   16  19 1
            28   18  21 2
            29   23  24 1
            30   25  26 1


entry: C10550
name: --- - Dehydrodieugenol
formula: C20H22O4
kcf:
ATOM        24
            1   C8y C     1.5917   -0.6208
            2   C8y C     1.5917   -1.4500
            3   C8y C     2.3120   -1.8625
            4   C8x C     3.0240   -1.4500
            5   C8y C     3.0240   -0.6208
            6   C8x C     2.3120   -0.2042
            7   O2a O     0.8732   -0.2038
            8   O1a O     0.8732   -1.8629
            9   C1b C     3.7430   -0.2047
            10  C2b C     4.4613   -0.6219
            11  C2a C     5.1803   -0.2058
            12  C1a C     0.1544   -0.6201
            13  C8y C     2.3131   -2.6917
            14  C8y C     1.5986   -3.1064
            15  C8y C     1.5996   -3.9356
            16  C8x C     2.3188   -4.3472
            17  C8y C     3.0328   -3.9338
            18  C8x C     3.0317   -3.1046
            19  O1a O     0.8796   -2.6904
            20  O2a O     0.8815   -4.3490
            21  C1b C     3.7519   -4.3454
            22  C2b C     4.4700   -3.9320
            23  C2a C     5.1892   -4.3436
            24  C1a C     0.1624   -3.9374
BOND        25
            1     7  12 1
            2     6   1 2
            3     3  13 1
            4     1   7 1
            5     1   2 1
            6     2   8 1
            7     2   3 2
            8    13  14 2
            9    14  15 1
            10   15  16 2
            11   16  17 1
            12   17  18 2
            13   18  13 1
            14    5   9 1
            15   14  19 1
            16    3   4 1
            17   15  20 1
            18    9  10 1
            19   17  21 1
            20    4   5 2
            21   21  22 1
            22   10  11 2
            23   22  23 2
            24    5   6 1
            25   20  24 1


entry: C10551
name: --- - 5'-Demethoxydeoxypodophyllotoxin
formula: C21H20O6
kcf:
ATOM        27
            1   C1y C     5.7042  -11.3676
            2   C8y C     4.9897  -10.9503
            3   C1y C     6.4221  -10.9607
            4   C8y C     5.6973  -12.1924
            5   C8y C     4.9931  -10.1254
            6   C8x C     4.2820  -11.3641
            7   C1y C     6.4221  -10.1323
            8   C7x C     7.2090  -11.2158
            9   C8x C     6.4117  -12.6034
            10  C8x C     4.9828  -12.5931
            11  C1x C     5.7111   -9.7178
            12  C8x C     4.2820   -9.7143
            13  C8y C     3.5676  -10.9503
            14  C1x C     7.2090   -9.8764
            15  O7x O     7.6953  -10.5496
            16  O7x O     7.4608  -12.0027
            17  C8y C     6.4049  -13.4283
            18  C8x C     4.9759  -13.4180
            19  C8y C     3.5676  -10.1254
            20  O2x O     2.7806  -11.2055
            21  C8y C     5.6904  -13.8352
            22  O2a O     7.1228  -13.8456
            23  O2x O     2.7841   -9.8661
            24  C1x C     2.2944  -10.5323
            25  O2a O     5.6835  -14.6600
            26  C1a C     7.8408  -13.4387
            27  C1a C     6.3945  -15.0780
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 2
            17   10  18 1
            18   12  19 2
            19   13  20 1
            20   17  21 1
            21   17  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26   25  27 1
            27    7  11 1
            28   13  19 1
            29   14  15 1
            30   18  21 2
            31   23  24 1


entry: C10552
name: --- - 4'-Demethyldeoxypodophyllotoxin
formula: C21H20O7
kcf:
ATOM        28
            1   C1y C     5.7031  -11.4878
            2   C8y C     4.9921  -11.0706
            3   C1y C     6.4211  -11.0809
            4   C8y C     5.6997  -12.3126
            5   C8y C     4.9956  -10.2457
            6   C8x C     4.2810  -11.4844
            7   C1y C     6.4246  -10.2526
            8   C7x C     7.2081  -11.3361
            9   C8x C     4.9818  -12.7168
            10  C8x C     6.4108  -12.7237
            11  C1x C     5.7100   -9.8380
            12  C8x C     4.2810   -9.8346
            13  C8y C     3.5665  -11.0706
            14  C1x C     7.2115  -10.0001
            15  O7x O     7.6943  -10.6698
            16  O7x O     7.4598  -12.1230
            17  C8y C     4.9783  -13.5417
            18  C8y C     6.4073  -13.5486
            19  C8y C     3.5665  -10.2457
            20  O2x O     2.7796  -11.3258
            21  C8y C     5.6893  -13.9589
            22  O2a O     4.2569  -13.9486
            23  O2a O     7.1219  -13.9658
            24  O2x O     2.7831   -9.9863
            25  C1x C     2.2934  -10.6560
            26  O1a O     5.6824  -14.7837
            27  C1a C     3.5389  -13.5314
            28  C1a C     7.8398  -13.5589
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 2
            18   12  19 2
            19   13  20 1
            20   17  21 2
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28    7  11 1
            29   13  19 1
            30   14  15 1
            31   18  21 1
            32   24  25 1


entry: C10553
name: --- - 4'-Demethylpodophyllotoxin
formula: C21H20O8
kcf:
ATOM        29
            1   C1y C     5.6935  -11.7413
            2   C8y C     4.9852  -11.3233
            3   C1y C     6.4122  -11.3336
            4   C8y C     5.6935  -12.5599
            5   C8y C     4.9887  -10.5046
            6   C8x C     4.2803  -11.7378
            7   C1y C     6.4122  -10.5081
            8   C7x C     7.1888  -11.5895
            9   C8x C     4.9749  -12.9607
            10  C8x C     6.4018  -12.9676
            11  C1y C     5.7004  -10.0970
            12  C8x C     4.2803  -10.0935
            13  C8y C     3.5727  -11.3233
            14  C1x C     7.1922  -10.2632
            15  O7x O     7.6799  -10.9260
            16  O7x O     7.4413  -12.3737
            17  C8y C     4.9714  -13.7793
            18  C8y C     6.3949  -13.7897
            19  O1a O     5.6906   -9.0643
            20  C8y C     3.5762  -10.5012
            21  O2x O     2.7850  -11.5758
            22  C8y C     5.6832  -14.1973
            23  O2a O     4.2527  -14.1870
            24  O2a O     7.1026  -14.2076
            25  O2x O     2.7885  -10.2529
            26  C1x C     2.3051  -10.9122
            27  O1a O     5.6763  -15.0194
            28  C1a C     3.5451  -13.7690
            29  C1a C     7.8178  -13.7966
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 2
            18   11  19 1 #Down
            19   12  20 2
            20   13  21 1
            21   17  22 2
            22   17  23 1
            23   18  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28   24  29 1
            29    7  11 1
            30   13  20 1
            31   14  15 1
            32   18  22 1
            33   25  26 1


entry: C10554
name: --- - Denudatin B
formula: C21H24O5
kcf:
ATOM        26
            1   C1z C     3.7106  -11.7448
            2   C2y C     3.7071  -12.5815
            3   C1y C     4.5016  -11.4924
            4   C2x C     2.9918  -11.3337
            5   O2a O     3.7037  -10.9544
            6   O2x O     4.4947  -12.8401
            7   C2x C     2.9918  -12.9918
            8   C1y C     4.9892  -12.1696
            9   C1a C     4.7517  -10.7919
            10  C2y C     2.2774  -11.7448
            11  C1a C     2.9815  -10.5427
            12  C5x C     2.2774  -12.5738
            13  C8y C     5.8183  -12.1731
            14  C1b C     1.5594  -11.3337
            15  O5x O     1.5594  -12.9918
            16  C8x C     6.2252  -12.8918
            17  C8x C     6.2287  -11.4544
            18  C2b C     0.8407  -11.7448
            19  C8y C     7.0542  -12.8953
            20  C8x C     7.0577  -11.4579
            21  C2a C     0.1220  -11.3337
            22  C8y C     7.4728  -12.1800
            23  O2a O     7.4659  -13.6174
            24  O2a O     8.3019  -12.1834
            25  C1a C     8.2950  -13.6208
            26  C1a C     8.7123  -12.9022
BOND        28
            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 #Down
            9     4  10 2
            10    5  11 1
            11    7  12 1
            12    8  13 1 #Up
            13   10  14 1
            14   12  15 2
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   16  19 1
            19   17  20 2
            20   18  21 2
            21   19  22 2
            22   19  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26    6   8 1
            27   10  12 1
            28   20  22 1


entry: C10555
name: --- - Deoxygomisin A - (+)-gamma-Schizandrin
formula: C23H28O6
kcf:
ATOM        29
            1   C8y C     4.8876  -11.6201
            2   C8y C     4.9221  -12.4346
            3   C8y C     4.0870  -11.3719
            4   C8y C     5.4704  -11.0788
            5   C8y C     5.5228  -13.0147
            6   C8y C     4.1697  -12.6388
            7   C8y C     3.8352  -10.6056
            8   O2a O     3.3655  -11.7064
            9   C8x C     5.1807  -10.2332
            10  C1x C     6.2711  -11.0408
            11  C8x C     5.3152  -13.8257
            12  C1x C     6.3236  -13.0560
            13  C8y C     3.9214  -13.4809
            14  O2a O     3.3690  -12.2518
            15  C8y C     4.4214  -10.0152
            16  O2x O     3.0897  -10.2297
            17  C1a C     2.6510  -11.3270
            18  C1y C     6.7822  -11.5788
            19  C8y C     4.5145  -14.0533
            20  C1y C     6.7822  -12.5070
            21  O2a O     3.1138  -13.6913
            22  C1a C     2.5648  -12.6802
            23  O2x O     4.0490   -9.2732
            24  C1x C     3.2241   -9.4049
            25  C1a C     7.4587  -11.1201
            26  O2a O     4.3180  -14.8643
            27  C1a C     7.5656  -12.8009
            28  C1a C     2.8889  -14.4954
            29  C1a C     3.5172  -15.0996
BOND        32
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 2
            15    7  16 1
            16    8  17 1
            17   10  18 1
            18   11  19 2
            19   12  20 1
            20   13  21 1
            21   14  22 1
            22   15  23 1
            23   16  24 1
            24   18  25 1 #Down
            25   19  26 1
            26   20  27 1 #Down
            27   21  28 1
            28   26  29 1
            29    9  15 1
            30   13  19 1
            31   18  20 1
            32   23  24 1


entry: C10556
name: --- - Deoxypodophyllotoxin
formula: C22H22O7
kcf:
ATOM        29
            1   C1y C     5.7044  -11.3664
            2   C8y C     4.9934  -10.9491
            3   C1y C     6.4224  -10.9595
            4   C8y C     5.7010  -12.1913
            5   C8y C     4.9969  -10.1243
            6   C8x C     4.2823  -11.3629
            7   C1y C     6.4259  -10.1311
            8   C7x C     7.2094  -11.2147
            9   C8x C     4.9831  -12.5954
            10  C8x C     6.4121  -12.6023
            11  C1x C     5.7113   -9.7167
            12  C8x C     4.2823   -9.7133
            13  C8y C     3.5678  -10.9491
            14  C1x C     7.2128   -9.8788
            15  O7x O     7.6956  -10.5484
            16  O7x O     7.4611  -12.0051
            17  C8y C     4.9796  -13.4203
            18  C8y C     6.4086  -13.4272
            19  C8y C     3.5678  -10.1243
            20  O2x O     2.7809  -11.2078
            21  C8y C     5.6906  -13.8375
            22  O2a O     4.2582  -13.8272
            23  O2a O     7.1232  -13.8444
            24  O2x O     2.7844   -9.8650
            25  C1x C     2.2947  -10.5346
            26  O2a O     5.6837  -14.6624
            27  C1a C     3.5402  -13.4134
            28  C1a C     7.8411  -13.4375
            29  C1a C     4.9624  -15.0734
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 2
            18   12  19 2
            19   13  20 1
            20   17  21 2
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28   26  29 1
            29    7  11 1
            30   13  19 1
            31   14  15 1
            32   18  21 1
            33   24  25 1


entry: C10557
name: --- - Dihydroanhydropodorhizol
formula: C22H24O7
kcf:
ATOM        29
            1   C1y C     6.8422   -7.0779
            2   C1y C     6.0105   -7.0779
            3   C1b C     7.5602   -7.4958
            4   C7x C     7.0974   -6.2909
            5   C1b C     5.2926   -7.4958
            6   C1x C     5.7553   -6.2909
            7   C8y C     8.2781   -7.0779
            8   O7x O     6.4284   -5.8047
            9   O7x O     7.7878   -5.8944
            10  C8y C     4.5746   -7.0779
            11  C8x C     8.9927   -7.4958
            12  C8x C     8.2747   -6.2496
            13  C8x C     4.5780   -6.2496
            14  C8x C     3.8642   -7.4958
            15  C8y C     9.7107   -7.0779
            16  C8y C     8.9927   -5.8358
            17  C8y C     3.8711   -5.8358
            18  C8x C     3.1462   -7.0779
            19  C8y C     9.7107   -6.2496
            20  O2a O    10.4320   -7.4924
            21  O2a O     8.9927   -5.0074
            22  C8y C     3.1462   -6.2461
            23  O2x O     3.6980   -5.0212
            24  O2a O    10.4286   -5.8358
            25  C1a C    11.1458   -7.0779
            26  C1a C     9.7107   -4.5895
            27  O2x O     2.5283   -5.6909
            28  C1x C     2.8697   -4.9316
            29  C1a C    10.4292   -5.0108
BOND        32
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    7  11 2
            11    7  12 1
            12   10  13 2
            13   10  14 1
            14   11  15 1
            15   12  16 2
            16   13  17 1
            17   14  18 2
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 2
            22   17  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28    6   8 1
            29   16  19 1
            30   18  22 1
            31   27  28 1
            32   24  29 1


entry: C10558
name: --- - Dihydrocubebin
formula: C20H22O6
kcf:
ATOM        26
            1   C8y C     2.5169  -11.7895
            2   C8y C     1.7962  -12.1999
            3   C8x C     3.2238  -12.2033
            4   O2x O     2.3480  -10.9792
            5   C8x C     1.7962  -13.0275
            6   O2x O     1.1824  -11.6447
            7   C8y C     3.2204  -13.0275
            8   C1x C     1.5238  -10.8895
            9   C8x C     2.5100  -13.4413
            10  C1b C     3.9342  -13.4413
            11  C1c C     4.6480  -13.0275
            12  C1c C     5.4755  -13.0275
            13  C1b C     4.6686  -12.2206
            14  C1b C     6.1893  -13.4413
            15  C1b C     5.4583  -12.2206
            16  O1a O     3.9100  -11.7206
            17  C8y C     6.9031  -13.0275
            18  O1a O     6.0824  -11.7620
            19  C8x C     6.8997  -12.2033
            20  C8x C     7.6135  -13.4413
            21  C8y C     7.6169  -11.7861
            22  C8x C     8.3273  -13.0275
            23  C8y C     8.3273  -12.2033
            24  O2x O     7.7928  -10.9792
            25  O2x O     8.9445  -11.6551
            26  C1x C     8.6135  -10.8999
BOND        29
            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     4   8 1
            8     5   9 2
            9     7  10 1
            10   11  10 1 #Up
            11   11  12 1
            12   11  13 1
            13   12  14 1 #Down
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   17  20 2
            20   19  21 2
            21   20  22 1
            22   21  23 1
            23   21  24 1
            24   23  25 1
            25   24  26 1
            26    6   8 1
            27    7   9 1
            28   22  23 2
            29   25  26 1


entry: C10559
name: --- - Diphyllin
formula: C21H16O7
kcf:
ATOM        28
            1   C8y C     0.3862    0.1172
            2   C8y C    -0.3276    0.5345
            3   C8y C     1.1000    0.5241
            4   C8y C     0.3793   -0.7069
            5   C8y C    -0.3241    1.3586
            6   C8x C    -1.0345    0.1207
            7   C8y C     1.1069    1.3517
            8   C7x C     1.8862    0.2621
            9   C8x C     1.0931   -1.1172
            10  C8x C    -0.3345   -1.1103
            11  C8y C     0.3931    1.7690
            12  C8x C    -1.0345    1.7724
            13  C8y C    -1.7517    0.5345
            14  C1x C     1.8966    1.6035
            15  O7x O     2.3793    0.9276
            16  O7x O     2.1345   -0.5241
            17  C8y C     1.0897   -1.9414
            18  C8x C    -0.3414   -1.9345
            19  O1a O     0.3966    2.5931
            20  C8y C    -1.7517    1.3586
            21  O2a O    -2.4655    0.1207
            22  C8y C     0.3690   -2.3517
            23  O2x O     1.7000   -2.5035
            24  O2a O    -2.4655    1.7724
            25  C1a C    -3.1793    0.5345
            26  O2x O     0.5345   -3.1655
            27  C1x C     1.3586   -3.2586
            28  C1a C    -3.1793    1.3586
BOND        32
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 2
            18   11  19 1
            19   12  20 2
            20   13  21 1
            21   17  22 2
            22   17  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26   23  27 1
            27   24  28 1
            28    7  11 2
            29   13  20 1
            30   14  15 1
            31   18  22 1
            32   26  27 1


entry: C10560
name: --- - Eucommin A - Medioresinol 4'-O-beta-D-glucopyranoside
formula: C27H34O12
kcf:
ATOM        39
            1   C1y C     6.1681  -10.9461
            2   C1y C     6.9922  -10.9151
            3   C1y C     5.9440  -11.7289
            4   C1x C     5.8853  -10.1703
            5   C1y C     7.2198  -10.1289
            6   C1x C     7.2647  -11.6841
            7   C8y C     5.2302  -12.1427
            8   O2x O     6.6233  -12.1875
            9   O2x O     6.5371   -9.6668
            10  C8y C     7.8750   -9.6599
            11  C8x C     5.2336  -12.9565
            12  C8x C     4.5302  -11.7289
            13  C8x C     8.5819  -10.0703
            14  C8x C     7.8750   -8.8427
            15  C8y C     4.5302  -13.3668
            16  C8y C     3.8198  -12.1392
            17  C8y C     9.2888   -9.6599
            18  C8x C     8.5819   -8.4323
            19  C8y C     3.8198  -12.9565
            20  O2a O     4.5336  -14.1841
            21  O2a O     3.1095  -11.7289
            22  C8y C     9.2888   -8.8427
            23  O2a O     9.9957  -10.0703
            24  O2a O     3.0888  -13.3772
            25  C1a C     5.2371  -14.5875
            26  C1a C     2.4026  -12.1392
            27  O1a O    10.1026   -8.2875
            28  C1a C    10.7060   -9.6599
            29  C1y C     2.2578  -13.8737
            30  O2x O     1.5543  -13.4668
            31  C1y C     2.2578  -14.6944
            32  C1y C     0.8440  -13.8737
            33  C1y C     1.5543  -15.1013
            34  O1a O     2.9715  -15.1013
            35  C1y C     0.8440  -14.6944
            36  C1b C     0.1405  -13.4634
            37  O1a O     1.5543  -15.9151
            38  O1a O     0.1405  -15.1013
            39  O1a O    -0.5595  -13.8737
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1 #Down
            10    7  11 2
            11    7  12 1
            12   10  13 1
            13   10  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28   29  24 1 #Up
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   31  34 1 #Down
            34   32  35 1
            35   32  36 1 #Up
            36   33  37 1 #Up
            37   35  38 1 #Down
            38   36  39 1
            39    5   9 1
            40    6   8 1
            41   16  19 1
            42   18  22 2
            43   33  35 1


entry: C10561
name: --- - (+)-Eudesmin
formula: C22H26O6
kcf:
ATOM        28
            1   C1y C     4.6777  -12.1462
            2   C1y C     5.5102  -12.1152
            3   C1y C     4.4536  -12.9374
            4   C1x C     4.3949  -11.3621
            5   C1y C     5.7419  -11.3207
            6   C1x C     5.7867  -12.8926
            7   C8y C     3.7315  -13.3553
            8   O2x O     5.1371  -13.4001
            9   O2x O     5.0509  -10.8544
            10  C8y C     6.4055  -10.8475
            11  C8x C     3.0232  -12.9374
            12  C8x C     3.7349  -14.1775
            13  C8x C     7.1165  -11.2621
            14  C8x C     6.4055  -10.0220
            15  C8y C     2.3121  -13.3518
            16  C8x C     3.0232  -14.5919
            17  C8y C     7.8352  -10.8475
            18  C8x C     7.1165   -9.6074
            19  C8y C     2.3121  -14.1775
            20  O2a O     1.5900  -12.9374
            21  C8y C     7.8352  -10.0220
            22  O2a O     8.5504  -11.2621
            23  O2a O     1.5693  -14.6023
            24  C1a C     0.8747  -13.3518
            25  O2a O     8.5573   -9.6040
            26  C1a C     9.2615  -10.8475
            27  C1a C     0.8471  -14.1878
            28  C1a C     9.2794  -10.0220
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1 #Down
            10    7  11 1
            11    7  12 2
            12   10  13 1
            13   10  14 2
            14   11  15 2
            15   12  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 1
            19   15  20 1
            20   17  21 1
            21   17  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26   23  27 1
            27   25  28 1
            28    5   9 1
            29    6   8 1
            30   16  19 2
            31   18  21 2


entry: C10562
name: --- - Eudesobovatol A
formula: C33H44O4
kcf:
ATOM        37
            1   C1y C     8.0305  -12.1133
            2   C1z C     7.3236  -11.7064
            3   C1z C     8.0270  -12.9339
            4   C1x C     8.7477  -11.7098
            5   O2a O     6.3960  -11.1546
            6   C1x C     6.6098  -12.1133
            7   C1a C     7.3236  -10.8857
            8   C1x C     8.7408  -13.3512
            9   C1x C     7.3236  -13.3477
            10  C1a C     8.0202  -13.8995
            11  C1y C     9.4546  -12.1201
            12  C8y C     5.6857  -11.5650
            13  C1x C     6.6098  -12.9339
            14  C1x C     9.4512  -12.9408
            15  C1d C    10.0995  -11.7443
            16  C8y C     4.9753  -11.1546
            17  C8x C     5.6857  -12.3857
            18  C1a C    10.0960  -10.9926
            19  C1a C    10.8443  -12.1581
            20  O1a O    10.8029  -11.3270
            21  C8y C     4.2684  -11.5719
            22  O1a O     4.9684  -10.3339
            23  C8y C     4.9753  -12.7960
            24  C8x C     4.2650  -12.3891
            25  O2a O     3.5581  -11.1615
            26  C1b C     4.9753  -13.6167
            27  C8y C     2.8443  -11.5753
            28  C2b C     4.2684  -14.0305
            29  C8x C     2.8443  -12.4029
            30  C8x C     2.1305  -11.1615
            31  C2a C     3.5546  -13.6201
            32  C8x C     2.1305  -12.8098
            33  C8x C     1.4098  -11.5753
            34  C8y C     1.4098  -12.4029
            35  C1b C     0.6995  -12.8098
            36  C2b C    -0.0109  -12.4029
            37  C2a C    -0.7204  -12.8133
BOND        40
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1
            14   11  15 1 #Down
            15   12  16 2
            16   12  17 1
            17   15  18 1
            18   15  19 1
            19   15  20 1
            20   16  21 1
            21   16  22 1
            22   17  23 2
            23   21  24 2
            24   21  25 1
            25   23  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 2
            30   28  31 2
            31   29  32 2
            32   30  33 1
            33   32  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 2
            37    9  13 1
            38   11  14 1
            39   23  24 1
            40   33  34 2


entry: C10563
name: --- - Fargesone A
formula: C21H24O6
kcf:
ATOM        27
            1   C1z C     3.8158  -11.3189
            2   C1y C     3.8124  -12.1513
            3   C2y C     3.1047  -10.9078
            4   C1y C     4.6103  -11.0629
            5   O2a O     3.8089  -10.5242
            6   C1y C     3.1047  -12.5658
            7   O2x O     4.6069  -12.4141
            8   C2x C     2.3826  -11.3189
            9   O2a O     3.1047  -10.0788
            10  C1y C     5.0939  -11.7436
            11  C1a C     4.9297  -10.4135
            12  C1a C     4.3586   -9.8615
            13  C5x C     2.3826  -12.1478
            14  C1b C     3.0978  -13.4603
            15  C1a C     2.4689   -9.5642
            16  C8y C     5.9228  -11.7471
            17  O5x O     1.6639  -12.5658
            18  C2b C     2.5551  -14.0514
            19  C8x C     6.3305  -12.4658
            20  C8x C     6.3374  -11.0250
            21  C2a C     2.5516  -14.7625
            22  C8y C     7.1595  -12.4727
            23  C8x C     7.1664  -11.0284
            24  C8y C     7.5775  -11.7505
            25  O2x O     7.7230  -13.0872
            26  O2x O     8.3892  -11.9272
            27  C1x C     8.4796  -12.7527
BOND        30
            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
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    4  11 1 #Down
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    9  15 1
            15   10  16 1 #Up
            16   13  17 2
            17   14  18 1
            18   16  19 2
            19   16  20 1
            20   18  21 2
            21   19  22 1
            22   20  23 2
            23   22  24 2
            24   22  25 1
            25   24  26 1
            26   25  27 1
            27    7  10 1
            28    8  13 1
            29   23  24 1
            30   26  27 1


entry: C10564
name: --- - O-Acetylcypholophine
formula: C20H28N2O4
kcf:
ATOM        26
            1   C8y C     0.0483    0.0483
            2   N5x N     0.2655    0.8448
            3   C8y C     0.7414   -0.4000
            4   C1b C    -0.6586   -0.3690
            5   C8y C     1.0897    0.8862
            6   N4x N     1.3828    0.1172
            7   C1a C     0.7379   -1.2310
            8   C1b C    -1.3759    0.0448
            9   C1b C     1.8000    1.3000
            10  C8y C    -2.0897   -0.3690
            11  C1b C     2.5172    0.8828
            12  C8x C    -2.8069    0.0448
            13  C8x C    -2.0897   -1.1966
            14  C1b C     3.2310    1.3000
            15  C8y C    -3.5276   -0.3690
            16  C8x C    -2.8069   -1.6138
            17  C1b C     3.9483    0.8828
            18  C8y C    -3.5276   -1.1966
            19  O2a O    -4.2414    0.0448
            20  O7a O     4.6655    1.3000
            21  O2a O    -4.2414   -1.6138
            22  C1a C    -4.9586   -0.3690
            23  C7a C     5.3828    0.8828
            24  C1a C    -4.9586   -1.2000
            25  C1a C     6.1000    1.3000
            26  O7a O     5.3793    0.0517
BOND        27
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 2
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 2
            16   14  17 1
            17   15  18 2
            18   15  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24   23  25 1
            25   23  26 2
            26    5   6 1
            27   16  18 1


entry: C10565
name: --- - Acutumidine
formula: C18H22ClNO6
kcf:
ATOM        26
            1   C1z C     8.4418   -8.4676
            2   C1z C     9.1307   -8.8668
            3   C1z C     8.6177   -7.6855
            4   C1x C     7.7495   -8.8634
            5   C1x C     9.0766   -8.0842
            6   C2y C     9.1307   -9.6592
            7   C1x C     9.7273   -8.3400
            8   N1x N    10.4065   -8.8717
            9   C1y C     9.4066   -7.6096
            10  C1y C     8.8211   -6.9172
            11  C5x C     7.8253   -7.7303
            12  C5x C     7.7495   -9.6592
            13  C1x C    10.4079   -8.0842
            14  C2y C     8.4418  -10.0592
            15  O2a O     9.8169  -10.0557
            16  X   Cl    9.7997   -6.9172
            17  C2y C     8.1529   -6.4828
            18  O1a O     9.3790   -6.3448
            19  C2x C     7.5357   -6.9862
            20  O5x O     7.2536   -8.2883
            21  O5x O     7.0605  -10.0557
            22  O2a O     8.4384  -10.8516
            23  C1a C     9.8169  -10.8482
            24  O2a O     8.1150   -5.6904
            25  C1a C     9.1273  -11.2474
            26  C1a C     7.4012   -5.3359
BOND        29
            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
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    3  11 1 #Up
            11    4  12 1
            12    5  13 1
            13    6  14 2
            14    6  15 1
            15    9  16 1 #Up
            16   10  17 1
            17   10  18 1 #Up
            18   11  19 1
            19   11  20 2
            20   12  21 2
            21   14  22 1
            22   15  23 1
            23   17  24 1
            24   22  25 1
            25   24  26 1
            26    7   9 1
            27    8  13 1
            28   12  14 1
            29   17  19 2


entry: C10566
name: --- - Alchorneine
formula: C12H19N3O
kcf:
ATOM        16
            1   C2y C    -0.2724    0.1241
            2   N1y N     0.5207    0.3759
            3   N1y N    -0.2759   -0.7069
            4   N2x N    -0.9897    0.5379
            5   C1y C     1.0035   -0.2966
            6   O2a O     0.5103    1.2069
            7   C1x C     0.5138   -0.9655
            8   C2x C    -0.9897   -1.1207
            9   C1z C    -1.7103    0.1241
            10  C2c C     1.8276   -0.2966
            11  C1a C     1.2276    1.6310
            12  C2x C    -1.7103   -0.7034
            13  C1a C    -2.4310   -0.2862
            14  C1a C    -1.7138    0.9552
            15  C1a C     2.2414   -1.0069
            16  C2a C     2.2414    0.4241
BOND        17
            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 #Down
            10    6  11 1
            11    8  12 2
            12    9  13 1
            13    9  14 1
            14   10  15 1
            15   10  16 2
            16    5   7 1
            17    9  12 1


entry: C10567
name: --- - Alchornine
formula: C11H17N3O
kcf:
ATOM        15
            1   C2y C    -0.0897    0.4448
            2   N1y N    -0.0931   -0.3862
            3   N2x N     0.7034    0.6966
            4   N1x N    -0.8069    0.8586
            5   C5x C    -0.8069   -0.8000
            6   C1x C     0.6966   -0.6483
            7   C1y C     1.1862    0.0207
            8   C1z C    -1.5276    0.4448
            9   C1x C    -1.5276   -0.3828
            10  O5x O    -0.8138   -1.6310
            11  C2c C     2.0103    0.0241
            12  C1a C    -2.2483    0.0310
            13  C1a C    -1.5310    1.2759
            14  C1a C     2.4241   -0.6931
            15  C2a C     2.4241    0.7448
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    7  11 1
            11    8  12 1
            12    8  13 1
            13   11  14 1
            14   11  15 2
            15    6   7 1
            16    8   9 1


entry: C10568
name: --- - Anantine
formula: C15H15N3O
kcf:
ATOM        19
            1   C8x C    12.8826   -6.8299
            2   C8x C    12.8826   -7.6574
            3   C8x C    12.1654   -6.4195
            4   C8y C    12.1654   -8.0678
            5   C8x C    11.4551   -6.8299
            6   C8x C    11.4551   -7.6574
            7   C1y C    13.7052   -9.2914
            8   C2y C    12.8776   -9.3014
            9   C8y C    14.4155   -8.8741
            10  C1x C    14.0052  -10.0603
            11  C2b C    12.1672   -8.8945
            12  C5x C    12.6707  -10.1431
            13  N5x N    15.2397   -8.8638
            14  C8x C    14.1535   -8.0914
            15  N1x N    13.3672  -10.5845
            16  O5x O    11.9534  -10.5500
            17  C8x C    15.4879   -8.0776
            18  N4y N    14.8155   -7.5983
            19  C1a C    14.8535   -6.7707
BOND        21
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   6 1
            7     7   8 1
            8     7   9 1
            9     7  10 1
            10    8  11 2
            11    8  12 1
            12    9  13 1
            13    9  14 2
            14   10  15 1
            15   12  16 2
            16   13  17 2
            17   14  18 1
            18   18  19 1
            19   12  15 1
            20   17  18 1
            21   11   4 1


entry: C10569
name: --- - Androcymbine
formula: C21H25NO5
kcf:
ATOM        27
            1   C1z C    -0.0207   -0.3448
            2   C8y C     0.1069    0.4379
            3   C2y C     0.5069   -0.9379
            4   C2x C    -0.8000   -0.5069
            5   C1x C     0.7414   -0.1276
            6   C8y C     0.8034    0.8241
            7   C8y C    -0.5759    0.8517
            8   C1y C     1.3035   -0.8897
            9   C2x C     0.2586   -1.6965
            10  C2y C    -1.0517   -1.2621
            11  C1x C     2.2621   -1.0035
            12  C8x C     0.8172    1.6207
            13  C1x C     1.5414    0.5207
            14  C8y C    -0.5621    1.6448
            15  O2a O    -1.2759    0.4690
            16  C1x C     1.7655   -0.2448
            17  N1y N     1.7035   -1.5724
            18  C5x C    -0.5207   -1.8552
            19  O2a O    -1.8448   -1.2655
            20  C8y C     0.1345    2.0310
            21  O1a O    -1.2552    2.0414
            22  C1a C    -1.9552    0.8793
            23  C1a C     1.5000   -2.3414
            24  O5x O    -0.7276   -2.6276
            25  C1a C    -2.4172   -0.6966
            26  O2a O     0.1241    2.8276
            27  C1a C    -0.5655    3.2172
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 1 #Down
            17    9  18 1
            18   10  19 1
            19   12  20 2
            20   14  21 1
            21   15  22 1
            22   17  23 1
            23   18  24 2
            24   19  25 1
            25   20  26 1
            26   26  27 1
            27   10  18 1
            28   11  17 1
            29   13  16 1
            30   14  20 1


entry: C10570
name: --- - Annuloline
formula: C20H19NO4
kcf:
ATOM        25
            1   C8y C    14.8757   -7.3436
            2   C8y C    15.5966   -7.7539
            3   O2x O    14.2033   -7.8367
            4   C8x C    14.6171   -6.5574
            5   C8x C    15.5925   -8.5807
            6   C8x C    16.3133   -7.3399
            7   C8y C    13.5309   -7.3436
            8   N5x N    13.7861   -6.5574
            9   C8x C    16.3095   -8.9947
            10  C8x C    17.0257   -7.7527
            11  C2b C    12.8137   -7.7609
            12  C8y C    17.0261   -8.5807
            13  C2b C    12.0964   -7.3505
            14  O2a O    17.7415   -8.9918
            15  C8y C    11.3826   -7.7574
            16  C1a C    17.7420   -9.8199
            17  C8x C    10.6723   -7.3436
            18  C8x C    11.3826   -8.5850
            19  C8y C     9.9516   -7.7574
            20  C8x C    10.6723   -9.0023
            21  C8y C     9.9516   -8.5850
            22  O2a O     9.2344   -7.3436
            23  O2a O     9.2344   -9.0023
            24  C1a C     8.5171   -7.7540
            25  C1a C     8.5171   -8.5850
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 2
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   15  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21   19  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25    7   8 2
            26   10  12 2
            27   20  21 1


entry: C10571
name: --- - Aspergillic acid
formula: C12H20N2O2
kcf:
ATOM        16
            1   C8y C    -0.8517    0.1276
            2   N4y N    -0.1310    0.5448
            3   C8x C    -0.8517   -0.7000
            4   C1c C    -1.5690    0.5448
            5   C8y C     0.5862    0.1276
            6   O1b O    -0.1379    1.3724
            7   N5x N    -0.1310   -1.1138
            8   C1b C    -2.2828    0.1310
            9   C1a C    -1.5724    1.3724
            10  C8y C     0.5862   -0.7000
            11  O5x O     1.3000    0.5483
            12  C1a C    -2.9966    0.5483
            13  C1b C     1.3000   -1.1138
            14  C1c C     2.0172   -0.7000
            15  C1a C     2.7276   -1.1138
            16  C1a C     2.0103    0.1276
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Either
            9     5  10 1
            10    5  11 2
            11    8  12 1
            12   10  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 1
            16    7  10 2


entry: C10572
name: --- - Balsoxine
formula: C17H15NO3
kcf:
ATOM        21
            1   C8y C     0.0966    0.8621
            2   C8y C     0.8207    0.4483
            3   O2x O    -0.5897    0.4000
            4   C8x C    -0.1310    1.6586
            5   C8x C     0.8138   -0.3828
            6   C8x C     1.5448    0.8517
            7   C8y C    -1.2448    0.9103
            8   N5x N    -0.9586    1.6897
            9   C8y C     1.5276   -0.8069
            10  C8x C     2.2586    0.4310
            11  C8y C    -1.9552    0.4931
            12  C8y C     2.2483   -0.3966
            13  O2a O     1.5172   -1.6276
            14  C8x C    -1.9552   -0.3379
            15  C8x C    -2.6759    0.9069
            16  O2a O     2.9586   -0.8172
            17  C1a C     2.2310   -2.0448
            18  C8x C    -2.6759   -0.7517
            19  C8x C    -3.3931    0.4931
            20  C1a C     2.9552   -1.6414
            21  C8x C    -3.3931   -0.3379
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    9  12 2
            12    9  13 1
            13   11  14 2
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   16  20 1
            20   18  21 2
            21    7   8 2
            22   10  12 1
            23   19  21 1


entry: C10573
name: --- - Calycanthine
formula: C22H26N4
kcf:
ATOM        26
            1   C1z C    -0.3207    0.1862
            2   C1z C     0.3241   -0.1862
            3   C8y C    -0.9759   -0.1862
            4   C1y C    -0.3207    0.9414
            5   C1x C    -0.3276   -0.5655
            6   C8y C     0.9793    0.1862
            7   C1y C     0.3241   -0.9448
            8   C1x C     0.3241    0.5655
            9   C8y C    -0.9793   -0.9379
            10  C8x C    -1.6241    0.1897
            11  N1x N     0.3276    1.3172
            12  N1y N    -0.9759    1.3172
            13  C1x C     1.6207   -0.9414
            14  C8y C     0.9759    0.9414
            15  C8x C     1.6276   -0.1897
            16  N1x N    -0.3276   -1.3172
            17  N1y N     0.9724   -1.3172
            18  C1x C    -1.6276    0.9483
            19  C8x C    -1.6241   -1.3138
            20  C8x C    -2.2793   -0.1862
            21  C1a C    -0.9793    2.0724
            22  C8x C     1.6310    1.3138
            23  C8x C     2.2828    0.1828
            24  C1a C     0.9690   -2.0724
            25  C8x C    -2.2793   -0.9379
            26  C8x C     2.2828    0.9345
BOND        31
            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 2
            10    4  11 1
            11    4  12 1
            12    5  13 1
            13    6  14 1
            14    6  15 2
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    9  19 2
            19   10  20 1
            20   12  21 1
            21   14  22 2
            22   15  23 1
            23   17  24 1
            24   19  25 1
            25   22  26 1
            26    9  16 1
            27   11  14 1
            28   12  18 1
            29   13  17 1
            30   20  25 2
            31   23  26 2


entry: C10574
name: --- - Futoquinol
formula: C21H22O5
kcf:
ATOM        26
            1   C1z C     0.9000   -0.1069
            2   C2y C     1.6000    0.3069
            3   C2x C     0.8931   -0.9172
            4   C2c C     0.1897    0.3000
            5   O2a O     0.0241   -0.6448
            6   C2x C     2.3069   -0.1034
            7   O2a O     1.5966    1.1241
            8   C2y C     1.6000   -1.3276
            9   C2b C    -0.5172   -0.1069
            10  C1a C     0.1897    1.1172
            11  C1a C     0.0276   -1.5138
            12  C5x C     2.3069   -0.9172
            13  C1a C     2.3034    1.5345
            14  C1b C     1.6000   -2.1448
            15  C8y C    -1.2241    0.3000
            16  O5x O     3.0138   -1.3276
            17  C2b C     0.8931   -2.5517
            18  C8x C    -1.2207    1.1172
            19  C8x C    -1.9310   -0.1069
            20  C2a C     0.8931   -3.3690
            21  C8y C    -1.9310    1.5207
            22  C8x C    -2.6379    0.3000
            23  C8y C    -2.6379    1.1172
            24  O2x O    -2.0931    2.3172
            25  O2x O    -3.2379    1.6690
            26  C1x C    -2.9035    2.4103
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   12  16 2
            16   14  17 1
            17   15  18 2
            18   15  19 1
            19   17  20 2
            20   18  21 1
            21   19  22 2
            22   21  23 2
            23   21  24 1
            24   23  25 1
            25   24  26 1
            26    8  12 1
            27   22  23 1
            28   25  26 1


entry: C10575
name: --- - Candicine - Ammonium, (p-hydroxyphenethyl)trimethyl-
formula: C11H18NO
kcf:
ATOM        13
            1   N1d N     1.7621    0.4793 #+
            2   C1b C     1.0448    0.0655
            3   C1a C     2.4793    0.0621
            4   C1a C     1.1690    1.0655
            5   C1a C     2.3483    1.0655
            6   C1b C     0.3276    0.4828
            7   C8y C    -0.3862    0.0724
            8   C8x C    -0.3862   -0.7586
            9   C8x C    -1.0966    0.4862
            10  C8x C    -1.0966   -1.1724
            11  C8x C    -1.8172    0.0724
            12  C8y C    -1.8172   -0.7586
            13  O1a O    -2.5379   -1.1655
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 2
            11   10  12 2
            12   12  13 1
            13   11  12 1


entry: C10576
name: --- - Cannabisativine
formula: C21H39N3O3
kcf:
ATOM        27
            1   N1y N     9.3565   -8.8858
            2   C1y C     9.3565   -9.7134
            3   C1y C     8.6461   -8.4651
            4   C1x C    10.0703   -8.4754
            5   C2x C     8.6461  -10.1237
            6   C1c C    10.0703  -10.1203
            7   C1x C     7.9254   -8.8823
            8   C1x C     8.6496   -7.6409
            9   C1x C    10.7806   -8.8996
            10  C2x C     7.9254   -9.7134
            11  C1c C    10.0703  -10.9444
            12  O1a O    10.7875   -9.7030
            13  C5x C     9.3634   -7.2306
            14  C1x C    11.4978   -8.4927
            15  C1b C    10.7875  -11.3616
            16  O1a O     9.3496  -11.3582
            17  N1x N    10.0806   -7.6478
            18  O5x O     9.3565   -6.3996
            19  N1x N    12.2944   -8.7237
            20  C1b C    11.5047  -10.9513
            21  C1x C    10.8013   -7.2444
            22  C1x C    12.7634   -8.0340
            23  C1b C    11.5047  -10.1237
            24  C1x C    11.4703   -7.6616
            25  C1x C    12.2496   -7.3789
            26  C1b C    12.2220   -9.7134
            27  C1a C    12.9358  -10.1237
BOND        28
            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 2
            10    6  11 1
            11    6  12 1 #Down
            12    8  13 1
            13    9  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   13  17 1
            17   13  18 2
            18   14  19 1
            19   15  20 1
            20   17  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24   22  25 1
            25   23  26 1
            26   26  27 1
            27    7  10 1
            28   24  25 1


entry: C10577
name: --- - Casimiroedine
formula: C21H27N3O6
kcf:
ATOM        30
            1   C1y C    -0.2069   -1.1759
            2   N4y N     0.5000   -0.7621
            3   O2x O    -0.9241   -0.7655
            4   C1y C    -0.2069   -2.0069
            5   C8x C     1.1759   -0.2724
            6   C8x C     0.7586   -1.5517
            7   C1y C    -1.6414   -1.1759
            8   C1y C    -0.9241   -2.4207
            9   O1a O     0.5034   -2.4207
            10  C8y C     1.8483   -0.7621
            11  N5x N     1.5862   -1.5517
            12  C1y C    -1.6414   -2.0069
            13  C1b C    -2.3621   -0.7655
            14  O1a O    -0.9310   -3.2517
            15  C1b C     2.5621   -0.3414
            16  O1a O    -2.3621   -2.4172
            17  O1a O    -3.0828   -1.1724
            18  C1b C     2.5621    0.4828
            19  N1c N     1.8483    0.8931
            20  C5a C     1.8483    1.7207
            21  C1a C     1.1310    0.4828
            22  C2b C     1.1310    2.1310
            23  O5a O     2.5621    2.1414
            24  C2b C     0.4138    1.7138
            25  C8y C    -0.3034    2.1310
            26  C8x C    -0.3069    2.9621
            27  C8x C    -1.0207    1.7103
            28  C8x C    -1.0276    3.3690
            29  C8x C    -1.7414    2.1241
            30  C8x C    -1.7448    2.9552
BOND        32
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    7  13 1 #Up
            13    8  14 1 #Up
            14   10  15 1
            15   12  16 1 #Down
            16   13  17 1
            17   15  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 2
            23   22  24 2
            24   24  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 2
            28   27  29 1
            29   28  30 1
            30    8  12 1
            31   10  11 1
            32   29  30 2


entry: C10578
name: --- - Celabenzine
formula: C23H29N3O2
kcf:
ATOM        28
            1   C8y C    -3.0414   -0.5828
            2   C1y C    -2.3241   -0.1690
            3   C8x C    -3.7552   -0.1724
            4   C8x C    -3.0379   -1.4069
            5   C1x C    -2.3241    0.6552
            6   N1x N    -1.6103   -0.5793
            7   C8x C    -4.4690   -0.5828
            8   C8x C    -3.7552   -1.8207
            9   C5x C    -1.6103    1.0690
            10  C1x C    -0.9000   -0.1690
            11  C8x C    -4.4690   -1.4103
            12  N1x N    -0.8966    0.6552
            13  O5x O    -1.6172    1.8931
            14  C1x C    -0.1862   -0.5828
            15  C1x C    -0.1793    1.0655
            16  C1x C     0.5276   -0.1793
            17  C1x C     0.5310    0.6517
            18  C1x C     1.3138   -0.4414
            19  C1x C     1.3207    0.9000
            20  N1y N     1.8035    0.2276
            21  C5a C     2.5172    0.6414
            22  C8y C     3.2276    0.2276
            23  O5a O     2.5138    1.4655
            24  C8x C     3.2241   -0.5966
            25  C8x C     3.9448    0.6379
            26  C8x C     3.9379   -1.0138
            27  C8x C     4.6586    0.2207
            28  C8x C     4.6552   -0.6034
BOND        30
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 1
            10    7  11 2
            11    9  12 1
            12    9  13 2
            13   10  14 1
            14   12  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 2
            23   22  24 2
            24   22  25 1
            25   24  26 1
            26   25  27 2
            27   26  28 2
            28    8  11 1
            29   19  20 1
            30   27  28 1


entry: C10579
name: --- - Cephalomannine - Taxol B
formula: C45H53NO14
kcf:
ATOM        60
            1   C1c C     2.0362  -12.3951
            2   C1c C     1.3341  -11.9923
            3   O1a O     2.0327  -13.2074
            4   C7a C     2.7352  -11.9893
            5   C1y C     7.5568  -11.4467
            6   C1z C     8.2176  -11.8211
            7   C1y C     7.0866  -11.9583
            8   C1z C     7.5568  -10.6833
            9   C1y C     8.8781  -11.4467
            10  O7a O     8.2107  -12.6466
            11  C1z C     5.6109  -11.9480
            12  O7a O     7.0970  -13.2210
            13  C5x C     6.5564  -10.0469
            14  C1y C     8.2176  -10.3005
            15  C1a C     7.6085   -9.9193
            16  C1x C     8.8781  -10.6833
            17  C7a C     8.9230  -13.0630
            18  C1z C     5.6109  -11.1846
            19  C1x C     4.9502  -12.3376
            20  O1a O     5.6005  -12.6948
            21  C7a C     6.4294  -13.5885
            22  C1y C     4.9537  -10.0503
            23  O5x O     6.5702   -9.2111
            24  O1a O     8.2210   -9.5372
            25  C1a C     9.6421  -12.6603
            26  O7a O     8.9161  -13.8885
            27  C2y C     4.9502  -10.8102
            28  C1a C     6.2509  -10.6040
            29  C1a C     6.2888  -11.5219
            30  C1y C     4.2897  -11.9480
            31  C8y C     6.4191  -14.3560
            32  O7a O     5.7758  -13.2003
            33  O7a O     4.2931   -9.6648
            34  C2y C     4.2897  -11.1846
            35  O7a O     3.4201  -12.3852
            36  C8x C     5.7585  -14.7277
            37  C8x C     7.0832  -14.7449
            38  C7a C     4.2931   -8.9049
            39  C1a C     3.6332  -10.8102
            40  C8x C     5.7447  -15.4842
            41  C8x C     7.0694  -15.5049
            42  C1a C     4.9537   -8.5228
            43  O7a O     3.6401   -8.5228
            44  O7a O     2.7352  -11.1984
            45  C8x C     6.4053  -15.8834
            46  N1b N     1.3351  -11.1673
            47  C5a C     0.6211  -10.7540
            48  O5a O    -0.0939  -11.1655
            49  C2c C     0.6221   -9.9289
            50  C8y C     0.6199  -12.4053
            51  C8x C    -0.0920  -11.9909
            52  C8x C    -0.8061  -12.4039
            53  C8x C    -0.8055  -13.2290
            54  C8x C    -0.0907  -13.6409
            55  C8x C     0.6234  -13.2279
            56  C1a C     1.3371   -9.5173
            57  C2b C    -0.0919   -9.5156
            58  C1a C    -0.0909   -8.6905
            59  C1x C     8.9042  -12.2586
            60  O2x O     9.5004  -11.8838
BOND        65
            1     9  16 1
            2    10  17 1
            3    11  18 1
            4    11  19 1
            5    11  20 1 #Up
            6    12  21 1
            7    13  22 1
            8    13  23 2
            9    14  24 1 #Up
            10   17  25 1
            11   17  26 2
            12   18  27 1
            13   18  28 1
            14   18  29 1
            15   19  30 1
            16   21  31 1
            17   21  32 2
            18   22  33 1 #Up
            19   27  34 2
            20   30  35 1 #Down
            21   31  36 2
            22   31  37 1
            23   33  38 1
            24   34  39 1
            25   35   4 1
            26   36  40 1
            27   37  41 2
            28   38  42 1
            29   38  43 2
            30    4  44 2
            31   40  45 2
            32   59  60 1
            33   14  16 1
            34   22  27 1
            35   30  34 1
            36   41  45 1
            37    2  46 1 #Down
            38    4   1 1
            39   46  47 1
            40    1   2 1
            41   47  48 2
            42    1   3 1 #Down
            43   47  49 1
            44    5   6 1
            45    2  50 1
            46    5   7 1
            47    5   8 1
            48    6   9 1
            49    6  10 1 #Down
            50    7  11 1
            51   50  51 2
            52   51  52 1
            53   52  53 2
            54   53  54 1
            55   54  55 2
            56   55  50 1
            57    7  12 1 #Down
            58   49  56 1
            59    8  13 1
            60   49  57 2
            61    8  14 1
            62   57  58 1
            63    6  59 1 #Up
            64    8  15 1 #Up
            65    9  60 1 #Up


entry: C10580
name: --- - Cephalotaxine
formula: C18H21NO4
kcf:
ATOM        23
            1   C1z C     1.1172   -0.0483
            2   C1y C     0.3103   -0.2310
            3   N1y N     1.4724    0.7000
            4   C2x C     1.5483   -0.7552
            5   C1x C     1.7207   -0.6172
            6   C8y C    -0.3345    0.2828
            7   C1y C     0.2379   -1.0586
            8   C1x C     1.1172    1.4448
            9   C1x C     2.2966    0.5966
            10  C2y C     1.0035   -1.3828
            11  C1x C     2.4517   -0.2207
            12  C8y C    -0.3345    1.1035
            13  C8x C    -1.0448   -0.1345
            14  O1a O    -0.4793   -1.4621
            15  C1x C     0.3103    1.6207
            16  O2a O     1.0000   -2.2000
            17  C8x C    -1.0448    1.5138
            18  C8y C    -1.7621    0.2793
            19  C1a C     0.2897   -2.6103
            20  C8y C    -1.7586    1.1035
            21  O2x O    -2.5483    0.0241
            22  O2x O    -2.5448    1.3621
            23  C1x C    -3.0310    0.6966
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    7  14 1 #Up
            14    8  15 1
            15   10  16 1
            16   12  17 1
            17   13  18 2
            18   16  19 1
            19   17  20 2
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23    7  10 1
            24    9  11 1
            25   12  15 1
            26   18  20 1
            27   22  23 1


entry: C10581
name: --- - Cichorine
formula: C10H11NO3
kcf:
ATOM        14
            1   C8y C     0.4931   -0.2552
            2   C8y C     0.4897    0.5724
            3   C8y C    -0.2207   -0.6655
            4   C1x C     1.2759   -0.5069
            5   C8x C    -0.2207    0.9828
            6   C5x C     1.2759    0.8276
            7   C8y C    -0.9379   -0.2552
            8   O2a O    -0.2241   -1.4862
            9   N1x N     1.7621    0.1586
            10  C8y C    -0.9379    0.5724
            11  O5x O     1.4862    1.6310
            12  C1a C    -1.6552   -0.6621
            13  C1a C    -0.9379   -1.8966
            14  O1a O    -1.6552    0.9828
BOND        15
            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 1
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13   10  14 1
            14    6   9 1
            15    7  10 1


entry: C10582
name: --- - Codonocarpine
formula: C26H31N3O5
kcf:
ATOM        34
            1   C8y C     0.2621   -1.8724
            2   C8y C     0.9828   -2.2931
            3   O2x O    -0.4552   -2.2931
            4   C8x C     0.2621   -1.0414
            5   C8x C     1.7069   -1.8759
            6   O2a O     0.9828   -3.1138
            7   C8y C    -1.1793   -1.8759
            8   C8x C     0.9862   -0.6276
            9   C8y C     1.7069   -1.0414
            10  C1a C     0.2655   -3.5241
            11  C8x C    -1.1828   -1.0448
            12  C8y C    -1.8966   -2.2862
            13  C2x C     2.3897   -0.6172
            14  C8y C    -1.8966   -0.6345
            15  C8x C    -2.6069   -1.8724
            16  O1a O    -1.9035   -3.1103
            17  C2x C     2.3897    0.2034
            18  C8x C    -2.6069   -1.0448
            19  C2x C    -1.9000    0.1931
            20  C5x C     3.1034    0.6000
            21  C2x C    -2.6172    0.6069
            22  N1x N     3.1069    1.4241
            23  O5x O     3.8172    0.1862
            24  C5x C    -2.6207    1.4379
            25  C1x C     2.4000    1.8379
            26  N1x N    -1.9035    1.8517
            27  O5x O    -3.3414    1.8517
            28  C1x C     2.4035    2.6621
            29  C1x C    -1.9035    2.6793
            30  C1x C     1.6897    3.0828
            31  C1x C    -1.1828    3.0966
            32  C1x C     0.9690    2.6759
            33  C1x C    -0.4690    2.6793
            34  N1x N     0.2517    3.0931
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 2
            12    9  13 1
            13   11  14 2
            14   12  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 1
            18   14  19 1
            19   17  20 1
            20   19  21 2
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   22  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   26  29 1
            29   28  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34    8   9 2
            35   15  18 2
            36   33  34 1


entry: C10583
name: --- - Crinasiadine
formula: C14H9NO3
kcf:
ATOM        18
            1   C8y C    -0.0034    0.1655
            2   C8y C     0.7172    0.5793
            3   C8y C    -0.0069   -0.6655
            4   C8x C    -0.7172    0.5793
            5   C8y C     1.4310    0.1552
            6   C8x C     0.7241    1.4034
            7   C8x C    -0.7172   -1.0759
            8   C8y C     0.7103   -1.0793
            9   C8y C    -1.4379    0.1655
            10  N4x N     1.4310   -0.6724
            11  C8x C     2.1517    0.5655
            12  C8x C     1.4448    1.8103
            13  C8y C    -1.4345   -0.6655
            14  O5x O     0.7034   -1.9069
            15  O2x O    -2.2276    0.4207
            16  C8x C     2.1586    1.3931
            17  O2x O    -2.2241   -0.9207
            18  C1x C    -2.7138   -0.2517
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 2
            16   13  17 1
            17   15  18 1
            18    8  10 1
            19    9  13 2
            20   12  16 1
            21   17  18 1


entry: C10584
name: --- - Crinasiatine
formula: C22H17NO4
kcf:
ATOM        27
            1   C8y C     1.6035    0.2483
            2   C8y C     2.3138    0.6586
            3   C8y C     1.6035   -0.5759
            4   C8x C     0.8828    0.6621
            5   C8y C     3.0276    0.2448
            6   C8x C     2.3172    1.4828
            7   C8x C     0.8828   -0.9966
            8   C8y C     2.3138   -0.9897
            9   C8y C     0.1655    0.2483
            10  N4x N     3.0276   -0.5793
            11  C8x C     3.7414    0.6552
            12  C8x C     3.0310    1.8931
            13  C8y C     0.1655   -0.5828
            14  O5x O     2.3069   -1.8207
            15  O2x O    -0.5586    0.6621
            16  C8x C     3.7448    1.4793
            17  O2x O    -0.5552   -1.0000
            18  C1x C    -1.2724    0.2448
            19  C1y C    -1.2724   -0.5862
            20  C1b C    -1.9931   -1.0035
            21  C8y C    -2.7103   -0.5862
            22  C8x C    -3.4310   -1.0035
            23  C8x C    -2.7103    0.2483
            24  C8x C    -4.1517   -0.5862
            25  C8x C    -3.4310    0.6655
            26  C8y C    -4.1517    0.2483
            27  O1a O    -4.8759    0.6655
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 2
            16   13  17 1
            17   15  18 1
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 2
            23   22  24 2
            24   23  25 1
            25   24  26 1
            26   26  27 1
            27    8  10 1
            28    9  13 2
            29   12  16 1
            30   18  19 1
            31   25  26 2


entry: C10585
name: --- - Cryogenine - Lythran-12-one, 4'',5''-dimethoxy-2'-hydroxy-, (10-alpha)- - Vertine
formula: C26H29NO5
kcf:
ATOM        32
            1   C8y C     0.0621   -0.2966
            2   C8y C    -0.6517   -0.7034
            3   C1y C     0.0690    0.5241
            4   C8x C     0.7724   -0.7069
            5   C8y C    -1.3621   -0.2966
            6   C8x C    -0.6517   -1.5241
            7   C1x C     0.0724    1.3552
            8   C1x C     0.7862    0.1103
            9   C8y C     0.7724   -1.5310
            10  C8x C    -1.3655    0.5276
            11  C8y C    -2.0759   -0.7138
            12  C8y C     0.0586   -1.9414
            13  C1y C     0.7931    1.7690
            14  N1y N     1.5035    0.5207
            15  O2a O     1.4828   -1.9448
            16  C8y C    -2.0828    0.9414
            17  C8x C    -2.7897   -0.3034
            18  O1a O    -2.0828   -1.5414
            19  O2a O     0.0552   -2.7621
            20  C1y C     1.5103    1.3517
            21  O7x O     0.0759    2.1793
            22  C1x C     2.2207    0.1069
            23  C1a C     1.4828   -2.7690
            24  C8x C    -2.7931    0.5241
            25  C2x C    -2.0828    1.7724
            26  C1a C     0.7724   -3.1690
            27  C1x C     2.2310    1.7621
            28  C7x C    -0.6448    1.7724
            29  C1x C     2.9379    0.5138
            30  C2x C    -1.3621    2.1828
            31  C1x C     2.9414    1.3448
            32  O7x O    -0.6517    0.9414
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 2
            16   11  17 1
            17   11  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 1 #Up
            21   14  22 1
            22   15  23 1
            23   16  24 1
            24   16  25 1
            25   19  26 1
            26   20  27 1
            27   21  28 1
            28   22  29 1
            29   25  30 2
            30   27  31 1
            31   28  32 2
            32    9  12 2
            33   14  20 1
            34   17  24 2
            35   28  30 1
            36   29  31 1


entry: C10586
name: --- - Cryptopleurine
formula: C24H27NO3
kcf:
ATOM        28
            1   C8y C     0.6448    0.1931
            2   C8y C     0.6414   -0.6310
            3   C8y C    -0.0690    0.6069
            4   C1x C     1.3621    0.5966
            5   C8y C    -0.0759   -1.0483
            6   C1x C     1.3517   -1.0517
            7   C8y C    -0.7862    0.1966
            8   C8x C    -0.0690    1.4345
            9   C1y C     2.0690    0.1793
            10  C8y C    -0.7862   -0.6276
            11  C8x C    -0.0793   -1.8724
            12  N1y N     2.0621   -0.6414
            13  C8x C    -1.5069    0.6069
            14  C8y C    -0.7862    1.8517
            15  C1x C     2.7862    0.5828
            16  C8x C    -1.5035   -1.0379
            17  C8x C    -0.7966   -2.2759
            18  C1x C     2.7690   -1.0586
            19  C8y C    -1.5069    1.4345
            20  O2a O    -0.7897    2.6759
            21  C1x C     3.4931    0.1655
            22  C8y C    -1.5103   -1.8621
            23  C1x C     3.4828   -0.6552
            24  O2a O    -2.2207    1.8517
            25  C1a C    -0.0724    3.0897
            26  O2a O    -2.2276   -2.2724
            27  C1a C    -2.9379    1.4379
            28  C1a C    -2.9414   -1.8621
BOND        32
            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 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   10  16 1
            16   11  17 2
            17   12  18 1
            18   13  19 2
            19   14  20 1
            20   15  21 1
            21   16  22 2
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   22  26 1
            26   24  27 1
            27   26  28 1
            28    7  10 1
            29    9  12 1
            30   14  19 1
            31   17  22 1
            32   21  23 1


entry: C10587
name: --- - Cynometrine
formula: C16H19N3O2
kcf:
ATOM        21
            1   C1y C     0.8759   -0.0034
            2   C1y C     0.0517   -0.0448
            3   C8y C     1.5897    0.4138
            4   C1x C     1.1690   -0.7759
            5   C1c C    -0.6655    0.3655
            6   C5x C    -0.1655   -0.8414
            7   N5x N     2.4172    0.4552
            8   C8x C     1.2966    1.1897
            9   N1y N     0.5276   -1.2931
            10  C8y C    -1.3793   -0.0483
            11  O1a O    -0.6690    1.1931
            12  O5x O    -0.8862   -1.2517
            13  C8x C     2.6345    1.2552
            14  N4y N     1.9379    1.7103
            15  C1a C     0.5207   -2.1241
            16  C8x C    -1.3793   -0.8793
            17  C8x C    -2.0897    0.3655
            18  C1a C     1.9310    2.5414
            19  C8x C    -2.0897   -1.2931
            20  C8x C    -2.8103   -0.0483
            21  C8x C    -2.8103   -0.8793
BOND        23
            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 2
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 2
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 2
            17   14  18 1
            18   16  19 2
            19   17  20 1
            20   19  21 1
            21    6   9 1
            22   13  14 1
            23   20  21 2


entry: C10588
name: --- - Damascenine
formula: C10H13NO3
kcf:
ATOM        14
            1   C8y C    -0.6103    0.2966
            2   C8y C     0.1069   -0.1172
            3   C7a C    -0.6138    1.1207
            4   C8x C    -1.3310   -0.1172
            5   C8y C     0.1069   -0.9448
            6   N1b N     0.8207    0.2966
            7   O7a O     0.1034    1.5379
            8   O7a O    -1.3345    1.5379
            9   C8x C    -1.3310   -0.9448
            10  C8x C    -0.6103   -1.3621
            11  O2a O     0.8207   -1.3621
            12  C1a C     1.5310   -0.1138
            13  C1a C     0.8207    1.1207
            14  C1a C     1.5310   -0.9448
BOND        14
            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 2
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13   11  14 1
            14    9  10 1


entry: C10589
name: --- - Decaline
formula: C26H31NO5
kcf:
ATOM        32
            1   C8y C     0.4862   -0.5586
            2   C1y C     0.2793    0.2276
            3   C8y C     0.0897   -1.2690
            4   C8x C     1.3207   -0.5621
            5   N1y N     0.9828    0.6276
            6   C1x C    -0.4172    0.6414
            7   C8x C     0.5069   -1.9759
            8   O2x O    -0.7207   -1.2690
            9   C8y C     1.7276   -1.2655
            10  C1y C     0.9931    1.4310
            11  C1x C     1.6690    0.2172
            12  C1y C    -0.4069    1.4483
            13  C8y C     1.3207   -1.9759
            14  C8y C    -1.1276   -0.5690
            15  O2a O     2.5379   -1.2621
            16  C1x C     0.3000    1.8414
            17  C1x C     1.6931    1.8207
            18  C1x C     2.3759    0.6069
            19  O7x O    -1.8241    1.4690
            20  O2a O     1.7276   -2.6759
            21  C8x C    -1.8276   -0.9793
            22  C8x C    -1.1207    0.2414
            23  C1a C     2.9483   -1.9690
            24  C1x C     2.3828    1.4103
            25  C7x C    -2.5310    1.8759
            26  C1a C     2.5379   -2.6724
            27  C8x C    -2.5345   -0.5690
            28  C8x C    -1.8241    0.6517
            29  C1x C    -3.2379    1.4690
            30  O7x O    -2.5379    2.6931
            31  C8y C    -2.5345    0.2448
            32  C1x C    -3.2379    0.6517
BOND        36
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 1
            17   11  18 1
            18   12  19 1
            19   13  20 1
            20   14  21 2
            21   14  22 1
            22   15  23 1
            23   17  24 1
            24   19  25 1
            25   20  26 1
            26   21  27 1
            27   22  28 2
            28   25  29 1
            29   25  30 2
            30   27  31 2
            31   29  32 1
            32    9  13 1
            33   12  16 1
            34   18  24 1
            35   28  31 1
            36   31  32 1


entry: C10590
name: --- - Elaeocarpidine
formula: C17H21N3
kcf:
ATOM        20
            1   C8y C    16.0115  -14.1825
            2   C1y C    16.8318  -14.0798
            3   C8y C    15.5118  -13.5184
            4   N4x N    15.5327  -14.8617
            5   N1y N    17.1519  -13.3180
            6   C1x C    17.3329  -14.7342
            7   C8y C    14.7302  -13.7910
            8   C1x C    15.8339  -12.7594
            9   C8y C    14.7384  -14.6186
            10  C1y C    17.9654  -13.2119
            11  C1x C    16.6537  -12.6616
            12  C1x C    18.1512  -14.6288
            13  C8x C    14.0041  -13.3872
            14  C8x C    14.0302  -15.0436
            15  N1y N    18.4657  -13.8712
            16  C1x C    18.4366  -12.5342
            17  C8x C    13.2960  -13.8122
            18  C8x C    13.3068  -14.6376
            19  C1x C    19.2471  -13.5986
            20  C1x C    19.2266  -12.7719
BOND        24
            1     1   2 1
            2     1   3 2
            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    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20    7   9 2
            21    8  11 1
            22   12  15 1
            23   17  18 1
            24   19  20 1


entry: C10591
name: --- - (+)-Elaeocarpine
formula: C16H19NO2
kcf:
ATOM        19
            1   C1y C     0.4345    0.0138
            2   C1y C     1.1552    0.4207
            3   C1y C     0.4241   -0.8138
            4   C5x C    -0.2793    0.4310
            5   N1y N     1.8690   -0.0069
            6   C1x C     1.3414    1.2310
            7   O2x O    -0.2862   -1.2276
            8   C1x C     1.1379   -1.2310
            9   C8y C    -1.0000    0.0172
            10  O5x O    -0.2862    1.2655
            11  C1x C     1.8586   -0.8276
            12  C1x C     2.4966    0.5448
            13  C1x C     2.1690    1.3103
            14  C8y C    -1.0035   -0.8103
            15  C8y C    -1.7172    0.4345
            16  C8x C    -1.7172   -1.2241
            17  C8x C    -2.4379    0.0172
            18  C1a C    -1.7241    1.2655
            19  C8x C    -2.4379   -0.8103
BOND        22
            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     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15   14  16 1
            16   15  17 2
            17   15  18 1
            18   16  19 2
            19    8  11 1
            20    9  14 2
            21   12  13 1
            22   17  19 1


entry: C10592
name: --- - Elaeokanine C
formula: C12H21NO2
kcf:
ATOM        15
            1   C1y C     0.0000    0.1379
            2   C1y C     0.7172   -0.2724
            3   C1y C    -0.7138   -0.2724
            4   C5a C    -0.0034    0.9655
            5   N1y N     0.7172   -1.1035
            6   C1x C     1.5069   -0.0172
            7   C1x C    -0.7138   -1.1035
            8   O1a O    -1.4345    0.1379
            9   C1b C    -0.7138    1.3759
            10  O5a O     0.7138    1.3862
            11  C1x C     0.0000   -1.5207
            12  C1x C     1.5069   -1.3621
            13  C1x C     1.9966   -0.6897
            14  C1b C    -1.4310    0.9586
            15  C1a C    -2.1483    1.3759
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    9  14 1
            14   14  15 1
            15    7  11 1
            16   12  13 1


entry: C10593
name: --- - Exserohilone
formula: C20H22N2O6S2
kcf:
ATOM        30
            1   C1z C    15.3152  -14.5334
            2   N1y N    14.8431  -15.2103
            3   C5x C    16.1406  -14.6044
            4   C1x C    14.8231  -13.8751
            5   S2a S    15.7866  -13.8573
            6   C1y C    14.0558  -14.9641
            7   C5x C    15.1944  -15.9554
            8   N1y N    16.4894  -15.3532
            9   O5x O    16.6093  -13.9265
            10  C1y C    14.0455  -14.1406
            11  C1a C    15.4330  -13.1094
            12  C1y C    13.3504  -15.3893
            13  C1z C    16.0132  -16.0301
            14  O5x O    14.7168  -16.6284
            15  C1y C    17.2786  -15.5965
            16  C5x C    13.3249  -13.7431
            17  C2x C    12.6297  -14.9877
            18  O1a O    13.3522  -16.2118
            19  C1x C    16.5141  -16.6875
            20  S2a S    15.5375  -16.7002
            21  C1y C    17.2938  -16.4193
            22  C1y C    17.9833  -15.1665
            23  C2x C    12.6166  -14.1622
            24  O5x O    13.3467  -12.9164
            25  C1a C    15.8861  -17.4490
            26  C5x C    18.0144  -16.8167
            27  C2x C    18.7059  -15.5654
            28  O1a O    18.0087  -14.3467
            29  C2x C    18.7218  -16.3928
            30  O5x O    17.9774  -17.6411
BOND        34
            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 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14    8  15 1
            15   10  16 1
            16   12  17 1
            17   12  18 1 #Down
            18   13  19 1
            19   13  20 1 #Up
            20   15  21 1
            21   15  22 1
            22   16  23 1
            23   16  24 2
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   22  28 1 #Down
            28   26  29 1
            29   26  30 2
            30    6  10 1
            31    8  13 1
            32   17  23 2
            33   19  21 1
            34   27  29 2


entry: C10594
name: --- - Ficine - 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl-, (-)-
formula: C20H19NO4
kcf:
ATOM        25
            1   C8y C    -0.3793   -0.3207
            2   C8y C    -1.0897    0.0897
            3   C8y C    -0.3828   -1.1517
            4   O2x O     0.3414    0.0862
            5   C1y C    -1.0828    0.9207
            6   C8y C    -1.8103   -0.3207
            7   C8y C     0.3345   -1.5690
            8   C8y C    -1.0897   -1.5690
            9   C8y C     1.0586   -0.3276
            10  N1y N    -1.7552    1.4103
            11  C1x C    -0.4172    1.4103
            12  C8x C    -1.8103   -1.1517
            13  O1a O    -2.5310    0.0897
            14  C8x C     1.0552   -1.1586
            15  O5x O     0.3276   -2.3966
            16  O1a O    -1.1000   -2.3966
            17  C8y C     1.7759    0.0793
            18  C1x C    -1.5000    2.2000
            19  C1a C    -2.4793    1.0000
            20  C1x C    -0.6690    2.2000
            21  C8x C     2.4931   -0.3345
            22  C8x C     1.7793    0.9103
            23  C8x C     3.2138    0.0724
            24  C8x C     2.5000    1.3241
            25  C8x C     3.2172    0.9034
BOND        28
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1
            16    9  17 1
            17   10  18 1
            18   10  19 1
            19   11  20 1
            20   17  21 2
            21   17  22 1
            22   21  23 1
            23   22  24 2
            24   23  25 2
            25    8  12 2
            26    9  14 2
            27   18  20 1
            28   24  25 1


entry: C10595
name: --- - Glitoxin
formula: C13H14N2O4S2
kcf:
ATOM        21
            1   C1z C     0.2931    0.6621
            2   N1y N    -0.1966   -0.0103
            3   C1x C    -0.1966    1.3379
            4   C5x C     1.1207    0.5759
            5   S3x S     0.2862   -0.1655
            6   C1y C    -0.9897    0.2448
            7   C5x C     0.1414   -0.7724
            8   C2y C    -0.9897    1.0793
            9   N1y N     1.4586   -0.1862
            10  O5x O     1.7103    1.1724
            11  S3x S     0.9655   -0.0241
            12  C1y C    -1.7103   -0.1690
            13  C1z C     0.9690   -0.8621
            14  O5x O    -0.4552   -1.3586
            15  C2x C    -1.7103    1.4966
            16  C1a C     2.2897   -0.1828
            17  C2x C    -2.4310    0.2448
            18  O1a O    -1.7172   -1.0035
            19  C1b C     1.3828   -1.5793
            20  C2x C    -2.4310    1.0793
            21  O1a O     2.2103   -1.5793
BOND        24
            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
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14    8  15 2
            15    9  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   13  19 1
            19   15  20 1
            20   19  21 1
            21    6   8 1
            22    9  13 1
            23   13  11 1 #Down
            24   17  20 2


entry: C10596
name: --- - Halfordinol
formula: C14H10N2O2
kcf:
ATOM        18
            1   C8y C     0.4793    0.5793
            2   C8y C     1.1897    0.1724
            3   O2x O    -0.1931    0.0931
            4   C8x C     0.2241    1.3690
            5   C8x C     1.1897   -0.6483
            6   C8x C     1.9035    0.5828
            7   C8y C    -0.8621    0.5793
            8   N5x N    -0.6069    1.3690
            9   C8x C     1.9035   -1.0655
            10  C8x C     2.6172    0.1724
            11  C8y C    -1.5828    0.1690
            12  C8y C     2.6172   -0.6517
            13  C8x C    -2.2966    0.5793
            14  C8x C    -1.5828   -0.6621
            15  O1a O     3.3310   -1.0655
            16  C8x C    -3.0172    0.1690
            17  N5x N    -2.2966   -1.0793
            18  C8x C    -3.0172   -0.6621
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 2
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 2
            17   16  18 2
            18    7   8 2
            19   10  12 2
            20   17  18 1


entry: C10597
name: --- - Harringtonine
formula: C28H37NO9
kcf:
ATOM        38
            1   C7a C     4.8418  -14.8056
            2   O7a O     5.5563  -15.2181
            3   O7a O     4.1273  -15.2181
            4   C1b C     4.8418  -13.9806
            5   C1a C     6.2707  -14.8056
            6   C1z C     7.2625  -11.1392
            7   C1y C     6.4556  -11.3220
            8   N1y N     7.6177  -10.3910
            9   C2x C     7.6901  -11.8461
            10  C1x C     7.8659  -11.7082
            11  C8y C     5.8108  -10.8082
            12  C1y C     6.3832  -12.1496
            13  C1x C     7.2591   -9.6461
            14  C1x C     8.4418  -10.4944
            15  C2y C     7.1487  -12.4737
            16  C1x C     8.5935  -11.3116
            17  C8y C     5.8108   -9.9875
            18  C8x C     5.1004  -11.2254
            19  O7a O     5.6659  -12.5565
            20  C1x C     6.4556   -9.4703
            21  O2a O     7.1453  -13.2909
            22  C8x C     5.1004   -9.5772
            23  C8y C     4.3832  -10.8116
            24  C7a C     4.8453  -12.5565
            25  C1a C     6.4280  -13.7013
            26  C8y C     4.3866   -9.9875
            27  O2x O     3.5970  -11.0668
            28  C1d C     4.4315  -13.2668
            29  O7a O     4.4280  -11.8392
            30  O2x O     3.6004   -9.7289
            31  C1x C     3.1108  -10.3944
            32  C1b C     3.6108  -13.2668
            33  O1a O     4.0177  -13.9806
            34  C1b C     3.2004  -13.9806
            35  C1d C     2.3797  -13.9806
            36  C1a C     1.9659  -14.6909
            37  C1a C     1.9625  -13.2634
            38  O1a O     1.5522  -13.9772
BOND        42
            1     2   5 1
            2     1   3 2
            3     1   2 1
            4     1   4 1
            5     6   7 1
            6     6   8 1
            7     6   9 1 #Up
            8     6  10 1 #Down
            9     7  11 1
            10    7  12 1
            11    8  13 1
            12    8  14 1
            13    9  15 2
            14   10  16 1
            15   11  17 2
            16   11  18 1
            17   12  19 1 #Up
            18   13  20 1
            19   15  21 1
            20   17  22 1
            21   18  23 2
            22   19  24 1
            23   21  25 1
            24   22  26 2
            25   23  27 1
            26   24  28 1
            27   24  29 2
            28   26  30 1
            29   27  31 1
            30   28  32 1
            31   28   4 1 #Down
            32   28  33 1 #Up
            33   32  34 1
            34   34  35 1
            35   35  36 1
            36   35  37 1
            37   35  38 1
            38   12  15 1
            39   14  16 1
            40   17  20 1
            41   23  26 1
            42   30  31 1


entry: C10598
name: --- - Himbacine
formula: C22H35NO2
kcf:
ATOM        25
            1   C1y C     0.2862   -0.9276
            2   C1y C    -0.4345   -0.5103
            3   C1y C     0.2759   -1.7552
            4   C1y C     1.0759   -0.6862
            5   C1y C    -1.1552   -0.9207
            6   C2b C    -0.4345    0.3172
            7   C1x C    -0.4414   -2.1690
            8   C7x C     1.0586   -2.0241
            9   O7x O     1.5517   -1.3621
            10  C1a C     1.4862    0.0379
            11  C1y C    -1.1586   -1.7517
            12  C1x C    -1.8690   -0.5103
            13  C2b C     0.2793    0.7345
            14  O7x O     1.4655   -2.7379
            15  C1x C    -1.8690   -2.1655
            16  C1x C    -2.5897   -0.9207
            17  C1y C     0.2793    1.5586
            18  C1x C    -2.5897   -1.7517
            19  N1y N     0.9931    1.9759
            20  C1x C    -0.4414    1.9655
            21  C1y C     0.9897    2.8034
            22  C1a C     1.7103    1.5621
            23  C1x C    -0.4448    2.7966
            24  C1x C     0.2724    3.2172
            25  C1a C     1.7000    3.2276
BOND        28
            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     4  10 1 #Down
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    8  14 2
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   15  18 1
            18   17  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24   21  25 1 #Up
            25    7  11 1
            26    8   9 1
            27   16  18 1
            28   23  24 1


entry: C10599
name: --- - Homaline
formula: C30H42N4O2
kcf:
ATOM        36
            1   C1y C    13.1049  -15.3837
            2   C8y C    12.7911  -16.1458
            3   C1x C    13.9324  -15.3837
            4   N1y N    12.5152  -14.7975
            5   C8x C    11.9704  -16.2561
            6   C8x C    13.2945  -16.8044
            7   C5x C    14.5221  -14.7975
            8   C1x C    12.5152  -13.9699
            9   C1a C    11.6842  -14.7975
            10  C8x C    11.6531  -17.0217
            11  C8x C    12.9807  -17.5734
            12  N1y N    14.5221  -13.9699
            13  O5x O    15.2359  -15.2148
            14  C1x C    13.1049  -13.3837
            15  C8x C    12.1600  -17.6803
            16  C1x C    13.9324  -13.3837
            17  C1b C    15.2393  -13.5561
            18  C1b C    15.9566  -13.9665
            19  C1b C    16.6704  -13.5527
            20  C1b C    17.3842  -13.9596
            21  N1y N    18.1014  -13.5492
            22  C5x C    18.1014  -12.7182
            23  C1x C    18.6911  -14.1286
            24  C1x C    18.6911  -12.1320
            25  O5x O    17.3807  -12.3010
            26  C1x C    19.5186  -14.1286
            27  C1y C    19.5186  -12.1320
            28  C1x C    20.1083  -13.5492
            29  C8y C    19.8324  -11.3665
            30  N1y N    20.1083  -12.7182
            31  C8x C    20.6531  -11.2561
            32  C8x C    19.3290  -10.7079
            33  C1a C    20.8221  -12.2975
            34  C8x C    20.9738  -10.4906
            35  C8x C    19.6428   -9.9389
            36  C8x C    20.4669   -9.8320
BOND        39
            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     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13    8  14 1
            14   10  15 2
            15   12  16 1
            16   12  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26   24  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 1
            30   29  31 2
            31   29  32 1
            32   30  33 1
            33   31  34 1
            34   32  35 2
            35   34  36 2
            36   11  15 1
            37   14  16 1
            38   28  30 1
            39   35  36 1


entry: C10600
name: --- - Ibotenic acid
formula: C5H6N2O4
kcf:
ATOM        11
            1   C8y C     0.0483    0.2483
            2   O2x O    -0.5966   -0.2690
            3   C8x C    -0.2448    1.0172
            4   C1c C     0.7621   -0.1586
            5   N5x N    -1.2897    0.1828
            6   C8y C    -1.0690    0.9793
            7   C6a C     0.7621   -0.9828
            8   N1a N     1.4759    0.2552
            9   O1a O    -1.4931    1.7000
            10  O6a O     1.4759   -1.3966
            11  O6a O     0.1690   -1.5724
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     6   9 1
            9     7  10 1
            10    7  11 2
            11    5   6 2


entry: C10601
name: --- - Isoficine - 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-
formula: C20H19NO4
kcf:
ATOM        25
            1   C8y C     0.0000    0.5552
            2   C8y C    -0.0034   -0.2724
            3   O2x O     0.7207    0.9655
            4   C8x C    -0.7172    0.9690
            5   C8y C    -0.7172   -0.6897
            6   C8y C     0.7138   -0.6931
            7   C8y C     1.4345    0.5483
            8   C8y C    -1.4379    0.5552
            9   C8y C    -1.4379   -0.2724
            10  O1a O    -0.7241   -1.5207
            11  C8x C     1.4310   -0.2793
            12  O5x O     0.7034   -1.5207
            13  C8y C     2.1552    0.9552
            14  O1a O    -2.1586    0.9690
            15  C1y C    -2.1552   -0.6931
            16  C8x C     2.8655    0.5414
            17  C8x C     2.1586    1.7862
            18  N1y N    -2.1448   -1.5241
            19  C1x C    -2.9517   -0.4517
            20  C8x C     3.5862    0.9517
            21  C8x C     2.8759    2.2000
            22  C1x C    -2.9276   -1.7897
            23  C1a C    -1.4276   -1.9310
            24  C1x C    -3.4276   -1.1276
            25  C8x C     3.5897    1.7793
BOND        28
            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    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   13  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   17  21 2
            21   18  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 2
            25    7  11 2
            26    8   9 1
            27   21  25 1
            28   22  24 1


entry: C10602
name: --- - Lilaline
formula: C20H17NO7
kcf:
ATOM        28
            1   C8y C    -0.5897   -0.4793
            2   C8y C    -1.3069   -0.0621
            3   C8y C    -0.5931   -1.3069
            4   O2x O     0.1310   -0.0655
            5   C1y C    -1.3000    0.7690
            6   C8y C    -2.0276   -0.4793
            7   C8y C     0.1241   -1.7241
            8   C8y C    -1.3069   -1.7207
            9   C8y C     0.8448   -0.4862
            10  C1x C    -0.6276    1.2517
            11  N1x N    -1.9690    1.2552
            12  C8x C    -2.0276   -1.3069
            13  O1a O    -2.7483   -0.0621
            14  C8y C     0.8414   -1.3138
            15  O5x O     0.1138   -2.5483
            16  O1a O    -1.3138   -2.5483
            17  C8y C     1.5621   -0.0724
            18  C1y C    -0.8862    2.0414
            19  C5x C    -1.7138    2.0414
            20  O1a O     1.5517   -1.7241
            21  C8x C     2.2793   -0.4931
            22  C8x C     1.5655    0.7552
            23  C1a C    -0.3000    2.6345
            24  O5x O    -2.3069    2.6379
            25  C8x C     3.0000   -0.0793
            26  C8x C     2.2862    1.1655
            27  C8y C     3.0035    0.7517
            28  O1a O     3.7138    1.1690
BOND        31
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1
            16    9  17 1
            17   10  18 1
            18   11  19 1
            19   14  20 1
            20   17  21 2
            21   17  22 1
            22   18  23 1
            23   19  24 2
            24   21  25 1
            25   22  26 2
            26   25  27 2
            27   27  28 1
            28    8  12 2
            29    9  14 2
            30   18  19 1
            31   26  27 1


entry: C10603
name: --- - Lunarine
formula: C25H31N3O4
kcf:
ATOM        32
            1   C1z C    12.7585   -8.6211
            2   C8y C    11.9316   -8.6384
            3   C1y C    13.0309   -9.4031
            4   C1x C    13.3033   -7.9935
            5   C2x C    12.5730   -7.8115
            6   C8y C    11.6944   -9.4342
            7   C8x C    11.3668   -8.0315
            8   O2x O    12.3764   -9.9059
            9   C1x C    13.8405   -9.5542
            10  C1x C    14.1164   -8.1522
            11  C2x C    13.1827   -7.2391
            12  C8x C    10.8848   -9.6197
            13  C8y C    10.5607   -8.2211
            14  C5x C    14.3811   -8.9342
            15  C5x C    12.8645   -6.4711
            16  C8x C    10.3158   -9.0135
            17  C2x C    10.1579   -7.5012
            18  O5x O    15.1880   -9.1480
            19  N1x N    13.4344   -5.7581
            20  O5x O    12.1557   -6.4260
            21  C2x C     9.3276   -7.5150
            22  C1x C    13.3004   -4.9970
            23  C5x C     8.9138   -6.7949
            24  C1x C    12.6871   -4.5307
            25  N1x N     9.3345   -6.0819
            26  O5x O     8.0766   -6.7880
            27  C1x C    11.8185   -4.6482
            28  C1x C     8.9172   -5.3585
            29  C1x C    11.4013   -5.3689
            30  C1x C     9.3379   -4.6413
            31  N1x N    10.5745   -5.3654
            32  C1x C    10.1682   -4.6447
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            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    7  13 2
            13    9  14 1
            14   11  15 1
            15   12  16 2
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   15  20 2
            20   17  21 2
            21   19  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25   23  26 2
            26   24  27 1
            27   25  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31   30  32 1
            32    6   8 1
            33   10  14 1
            34   13  16 1
            35   31  32 1


entry: C10604
name: --- - Lythramine
formula: C29H37NO5
kcf:
ATOM        35
            1   C8y C    -1.3069   -0.6586
            2   C8y C    -1.5724   -0.2207
            3   C8y C    -1.7276   -1.3828
            4   C8x C    -0.4655   -0.6586
            5   C8x C    -1.1483    0.5000
            6   C8y C    -2.4103   -0.2172
            7   C8x C    -1.3000   -2.1172
            8   O2a O    -2.5552   -1.3931
            9   C8y C    -0.0379   -1.3862
            10  C8y C    -1.5655    1.2310
            11  C8x C    -2.8207    0.5103
            12  O1a O    -2.8310   -0.9379
            13  C8x C    -0.4586   -2.1138
            14  C1a C    -2.9759   -2.1138
            15  C1x C     0.7931   -1.3862
            16  C1x C    -1.5586    2.0655
            17  C8x C    -2.4035    1.2345
            18  C1x C     1.2103   -0.6621
            19  C1x C    -0.8345    2.4759
            20  C1y C     2.0448   -0.6621
            21  C1y C    -0.1103    2.0621
            22  C1x C     2.4621    0.0621
            23  O7a O     2.4655   -1.3862
            24  C1x C     0.6138    2.4655
            25  O2x O    -0.1241    1.2276
            26  C1y C     2.0414    0.7828
            27  C7a C     2.0483   -2.1069
            28  C1y C     1.3345    2.0414
            29  C1x C     0.5931    0.8000
            30  N1y N     1.3241    1.2103
            31  C1x C     2.7690    1.1966
            32  C1a C     2.4690   -2.8345
            33  O7a O     1.2103   -2.1069
            34  C1x C     2.0552    2.4517
            35  C1x C     2.7759    2.0310
BOND        39
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 2
            17   15  18 1
            18   16  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1 #Up
            23   21  24 1
            24   21  25 1
            25   22  26 1
            26   23  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1
            32   27  33 2
            33   28  34 1
            34   31  35 1
            35    9  13 1
            36   11  17 1
            37   28  30 1
            38   29  30 1
            39   34  35 1


entry: C10605
name: --- - Maculosin - Cyclo(L-Pro-L-Tyr)
formula: C14H16N2O3
kcf:
ATOM        19
            1   N1y N     6.2885  -11.7181
            2   C1y C     6.2850  -12.5457
            3   C5x C     5.5747  -11.3009
            4   C1x C     7.0747  -11.4629
            5   C5x C     5.5678  -12.9526
            6   C1x C     7.0747  -12.8043
            7   C1y C     4.8574  -11.7112
            8   O5x O     5.5678  -10.4733
            9   C1x C     7.5609  -12.1353
            10  N1x N     4.8540  -12.5353
            11  O5x O     5.5574  -13.7733
            12  C1b C     4.1471  -11.2974
            13  C8y C     3.4367  -11.7078
            14  C8x C     3.4367  -12.5319
            15  C8x C     2.7230  -11.2940
            16  C8x C     2.7230  -12.9457
            17  C8x C     2.0092  -11.7078
            18  C8y C     2.0092  -12.5319
            19  O1a O     1.2919  -12.9388
BOND        21
            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 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    7  12 1 #Up
            12   12  13 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   18  19 1
            19    6   9 1
            20    7  10 1
            21   17  18 1


entry: C10606
name: --- - Maytansine
formula: C34H46ClN3O10
kcf:
ATOM        48
            1   C1z C    23.2539  -19.8145
            2   C1y C    21.8496  -19.8203
            3   C1y C    23.9532  -21.0265
            4   O2x O    22.5606  -21.0324
            5   C1a C    23.9415  -18.5967
            6   C1y C    20.9461  -18.6083
            7   C1x C    25.3457  -21.0265
            8   O7a O    23.2598  -22.2270
            9   C1y C    20.9638  -17.0817
            10  C1a C    19.7519  -18.5967
            11  C5x C    26.0393  -19.8145
            12  C7a C    23.9591  -23.4389
            13  C1x C    22.1000  -16.4173
            14  O7x O    19.6995  -16.4699
            15  N1y N    27.4378  -19.8145
            16  O5x O    25.3283  -18.5967
            17  C1c C    25.3517  -23.4389
            18  O7a O    23.2539  -24.6510
            19  C1z C    22.1234  -15.0713
            20  C7x C    19.6995  -15.0713
            21  C8y C    28.1254  -18.6083
            22  C1a C    28.1254  -21.0208
            23  N1c N    26.0567  -24.6510
            24  C1a C    26.0509  -22.2210
            25  C1y C    23.3413  -14.3721
            26  N1x N    20.9174  -14.3663
            27  O1a O    22.1119  -13.5271
            28  O7x O    18.4874  -14.3663
            29  C8x C    28.1544  -17.2215
            30  C8y C    29.3256  -19.3250
            31  C5a C    27.4494  -24.6510
            32  C1a C    25.3457  -25.8630
            33  C2x C    24.5534  -15.0771
            34  O2a O    23.3296  -12.9619
            35  C8y C    29.3723  -16.5339
            36  C8y C    30.6135  -18.6491
            37  X   Cl   29.3140  -20.7235
            38  C1a C    28.1487  -25.8630
            39  O5a O    28.1370  -23.4332
            40  C2x C    25.7712  -14.3895
            41  C1a C    24.5417  -12.2569
            42  C8x C    30.5668  -17.2565
            43  C1x C    29.3899  -15.1354
            44  O2a O    31.7497  -19.3426
            45  C2x C    26.9775  -15.1004
            46  C2y C    28.1894  -14.4245
            47  C1a C    32.9617  -18.6433
            48  C1a C    28.1837  -13.0202
BOND        51
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     6   9 1
            9     6  10 1 #Down
            10    7  11 1
            11    8  12 1
            12    9  13 1
            13    9  14 1
            14   11  15 1
            15   11  16 2
            16   12  17 1
            17   12  18 2
            18   13  19 1
            19   14  20 1
            20   15  21 1
            21   15  22 1
            22   17  23 1
            23   17  24 1 #Down
            24   19  25 1
            25   19  26 1
            26   19  27 1 #Down
            27   20  28 2
            28   21  29 2
            29   21  30 1
            30   23  31 1
            31   23  32 1
            32   25  33 1
            33   25  34 1 #Down
            34   29  35 1
            35   30  36 2
            36   30  37 1
            37   31  38 1
            38   31  39 2
            39   33  40 2
            40   34  41 1
            41   35  42 2
            42   35  43 1
            43   36  44 1
            44   40  45 1
            45   43  46 1
            46   44  47 1
            47   46  48 1
            48    2   4 1
            49   20  26 1
            50   36  42 1
            51   45  46 2


entry: C10607
name: --- - Mycosporine
formula: C11H19NO6
kcf:
ATOM        18
            1   C2y C    -0.0379   -0.4379
            2   C2y C    -0.0379    0.3897
            3   C1x C    -0.7517   -0.8517
            4   N1b N     0.6759   -0.8517
            5   C5x C    -0.7517    0.8069
            6   O2a O     0.6759    0.8069
            7   C1z C    -1.4724   -0.4379
            8   C1c C     1.3931   -0.4379
            9   C1x C    -1.4724    0.3897
            10  O5x O    -0.7621    1.6379
            11  C1a C     0.6724    1.6379
            12  C1b C    -2.1897   -0.8483
            13  O1a O    -1.4759   -1.2690
            14  C1b C     2.1103   -0.8517
            15  C1b C     1.3931    0.3862
            16  O1a O    -2.9069   -0.4345
            17  O1a O     2.8241   -0.4379
            18  O1a O     2.1103    0.8034
BOND        18
            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 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1 #Up
            12    7  13 1 #Down
            13    8  14 1
            14    8  15 1
            15   12  16 1
            16   14  17 1
            17   15  18 1
            18    7   9 1


entry: C10608
name: --- - Palustrine
formula: C17H31N3O2
kcf:
ATOM        22
            1   N1y N    10.2357   -6.7775
            2   C1y C    10.2357   -7.6051
            3   C1y C     9.5253   -6.3568
            4   C1x C    10.9495   -6.3671
            5   C1x C     9.5253   -8.0154
            6   C1c C    10.9495   -8.0120
            7   C2x C     8.8046   -6.7740
            8   C1x C     9.5288   -5.5326
            9   C1x C    11.6598   -6.7913
            10  C2x C     8.8046   -7.6051
            11  C1b C    10.9495   -8.8361
            12  O1a O    11.6667   -7.5947
            13  C5x C    10.2426   -5.1223
            14  C1x C    12.3770   -6.3844
            15  C1a C    11.6667   -9.2533
            16  N1x N    10.9598   -5.5395
            17  O5x O    10.2357   -4.2913
            18  N1x N    13.1736   -6.6154
            19  C1x C    11.6805   -5.1361
            20  C1x C    13.6426   -5.9257
            21  C1x C    12.3495   -5.5533
            22  C1x C    13.1288   -5.2706
BOND        23
            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    6  11 1
            11    6  12 1 #Up
            12    8  13 1
            13    9  14 1
            14   11  15 1
            15   13  16 1
            16   13  17 2
            17   14  18 1
            18   16  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22    7  10 2
            23   21  22 1


entry: C10609
name: --- - Phyllospadine
formula: C21H21NO6
kcf:
ATOM        28
            1   C8y C    -0.3103   -0.2724
            2   C8y C    -1.0276    0.1414
            3   C8y C    -0.3172   -1.1000
            4   O2x O     0.4069    0.1379
            5   C1y C    -1.0207    0.9724
            6   C8y C    -1.7483   -0.2724
            7   C8y C    -1.0276   -1.5172
            8   C8y C     0.4000   -1.5207
            9   C8y C     1.1241   -0.2793
            10  N1y N    -1.6897    1.4621
            11  C1x C    -0.3483    1.4586
            12  C8y C    -1.7483   -1.1000
            13  O1a O    -2.4655    0.1414
            14  O1a O    -1.0345   -2.3483
            15  C8x C     1.1207   -1.1069
            16  O5x O     0.3931   -2.3483
            17  C8y C     1.8448    0.1310
            18  C1x C    -1.4310    2.2483
            19  C1a C    -2.4103    1.0483
            20  C1x C    -0.6034    2.2483
            21  O2a O    -2.4621   -1.5172
            22  C8x C     2.5586   -0.2862
            23  C8x C     1.8483    0.9586
            24  C1a C    -3.1793   -1.1000
            25  C8x C     3.2793    0.1241
            26  C8x C     2.5690    1.3724
            27  C8y C     3.2828    0.9517
            28  O1a O     3.9931    1.3724
BOND        31
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   10  19 1
            19   11  20 1
            20   12  21 1
            21   17  22 2
            22   17  23 1
            23   21  24 1
            24   22  25 1
            25   23  26 2
            26   25  27 2
            27   27  28 1
            28    7  12 2
            29    9  15 2
            30   18  20 1
            31   26  27 1


entry: C10610
name: --- - Pilosine
formula: C16H18N2O3
kcf:
ATOM        21
            1   C1y C    20.7095   -3.6305
            2   C1y C    19.8853   -3.5926
            3   C1b C    21.4233   -4.0546
            4   C1x C    21.0026   -2.8546
            5   C1c C    19.1715   -4.0029
            6   C7x C    19.6716   -2.7926
            7   C8y C    22.1424   -3.6344
            8   O7x O    20.3578   -2.3374
            9   C8y C    18.4612   -3.5857
            10  O1a O    19.1647   -4.8374
            11  O7x O    18.9543   -2.3788
            12  N4y N    22.9654   -3.6065
            13  C8x C    21.8475   -2.8570
            14  C8x C    18.4612   -2.7546
            15  C8x C    17.7440   -4.0029
            16  C8x C    23.1902   -2.8053
            17  C1a C    23.5147   -4.2347
            18  N5x N    22.4978   -2.3435
            19  C8x C    17.7440   -2.3374
            20  C8x C    17.0302   -3.5857
            21  C8x C    17.0302   -2.7546
BOND        23
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13    9  14 1
            14    9  15 2
            15   12  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 2
            19   15  20 1
            20   19  21 1
            21    6   8 1
            22   16  18 2
            23   20  21 2


entry: C10611
name: --- - Pithecolobine
formula: C22H46N4O
kcf:
ATOM        27
            1   C1y C     7.4591   -4.3924
            2   C1x C     7.4651   -3.5648
            3   N1x N     8.1751   -4.8059
            4   C1b C     6.7475   -4.8099
            5   C5x C     8.1837   -3.1507
            6   C1x C     8.8902   -4.3953
            7   N1x N     8.8928   -3.5677
            8   O5x O     8.1827   -2.3231
            9   C1x C     9.6095   -4.8088
            10  C1x C     9.6078   -3.1501
            11  C1x C    10.3281   -4.3947
            12  C1x C    10.3273   -3.5671
            13  N1x N    11.0440   -4.8048
            14  C1x C    11.0354   -3.1462
            15  C1x C    11.7626   -4.3837
            16  N1x N    11.7583   -3.5596
            17  C1x C    12.5501   -4.6314
            18  C1x C    12.5431   -3.3003
            19  C1x C    13.0294   -3.9599
            20  C1b C     6.7533   -5.6349
            21  C1b C     7.4706   -6.0424
            22  C1b C     8.1822   -5.6249
            23  C1b C     8.8995   -6.0324
            24  C1b C     8.9053   -6.8574
            25  C1b C     9.6226   -7.2649
            26  C1b C    10.3342   -6.8474
            27  C1a C    10.3284   -6.0224
BOND        27
            1     6   9 1
            2     7  10 1
            3     9  11 1
            4    10  12 1
            5    11  13 1
            6    12  14 1
            7    13  15 1
            8    14  16 1
            9    15  17 1
            10   16  18 1
            11   17  19 1
            12   18  19 1
            13    4  20 1
            14    1   2 1
            15   20  21 1
            16    1   3 1
            17   21  22 1
            18    1   4 1
            19   22  23 1
            20    2   5 1
            21   23  24 1
            22    3   6 1
            23   24  25 1
            24    5   7 1
            25   25  26 1
            26    5   8 2
            27   26  27 1


entry: C10612
name: --- - Pleurostyline
formula: C25H29N3O2
kcf:
ATOM        30
            1   C1y C    -1.7207   -0.2345
            2   C8y C    -2.5035   -0.5172
            3   N1y N    -1.0172   -0.6655
            4   C1x C    -1.6931    0.5966
            5   C8y C    -2.7655   -1.3069
            6   C8x C    -3.0552    0.1000
            7   C5x C    -0.9103   -1.4897
            8   C1x C    -0.2966   -0.2724
            9   C1x C    -0.9655    0.9862
            10  C2x C    -2.3103   -2.0000
            11  C8x C    -3.5759   -1.4759
            12  C8x C    -3.8690   -0.0655
            13  C2x C    -1.4862   -2.0862
            14  O5x O    -0.1207   -1.6965
            15  C1x C     0.4034   -0.7103
            16  N1x N    -0.2655    0.5517
            17  C8x C    -4.1276   -0.8552
            18  C1x C     1.1276   -0.3276
            19  C5x C     0.4621    0.9379
            20  C1x C     1.9069   -0.6138
            21  C1x C     1.1621    0.5000
            22  O5x O     0.4552    1.7655
            23  N1x N     2.4207    0.0379
            24  C1y C     1.9586    0.7241
            25  C8y C     2.7517    0.9448
            26  C8x C     3.4655    0.5310
            27  C8x C     2.7517    1.7655
            28  C8x C     4.1759    0.9414
            29  C8x C     3.4655    2.1793
            30  C8x C     4.1793    1.7655
BOND        33
            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     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 2
            14    8  15 1
            15    9  16 1
            16   11  17 2
            17   15  18 1
            18   16  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   21  24 1
            24   24  25 1
            25   25  26 2
            26   25  27 1
            27   26  28 1
            28   27  29 2
            29   28  30 2
            30   10  13 2
            31   12  17 1
            32   23  24 1
            33   29  30 1


entry: C10613
name: --- - Porritoxin
formula: C17H23NO4
kcf:
ATOM        22
            1   C8y C     1.0414   -0.4103
            2   C8y C     1.0379    0.4207
            3   C8y C     0.3241   -0.8276
            4   C1x C     1.6276   -0.9931
            5   C8x C     0.3172    0.8310
            6   C5x C     1.6276    1.0103
            7   C8y C    -0.4000   -0.4138
            8   O2a O     0.3207   -1.6517
            9   O2x O     2.4552   -0.9931
            10  C8y C    -0.4034    0.4172
            11  N1x N     2.4552    1.0103
            12  O5x O     1.0345    1.5966
            13  C1a C    -1.1138   -0.8241
            14  C1a C    -0.3931   -2.0621
            15  C1x C     3.0448   -0.4069
            16  O2a O    -1.1138    0.8276
            17  C1x C     3.0448    0.4207
            18  C1b C    -1.8310    0.4138
            19  C2b C    -2.5483    0.8241
            20  C2c C    -3.2655    0.4103
            21  C1a C    -3.9828    0.8172
            22  C1a C    -3.2690   -0.4207
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 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   11  17 1
            17   16  18 1
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   20  22 1
            22    7  10 1
            23   15  17 1


entry: C10614
name: --- - Securinine
formula: C13H15NO2
kcf:
ATOM        16
            1   C2y C    10.7708   -6.5834
            2   C2x C    11.0234   -5.8076
            3   C7x C    10.3583   -5.3250
            4   O7x O     9.6974   -5.8076
            5   C1z C     9.9500   -6.5834
            6   O7x O    10.3583   -4.5083
            7   C1x C     7.7083   -6.8333
            8   C1x C     7.7083   -7.6500
            9   C1x C     8.4162   -8.0583
            10  C1x C     8.4162   -6.4250
            11  C1y C     9.1199   -6.8333
            12  N1y N     9.1208   -7.6506
            13  C1y C     9.9021   -7.9007
            14  C2x C    10.7288   -7.9059
            15  C2x C    11.2196   -7.2854
            16  C1x C    10.3752   -7.2402
BOND        19
            1     7   8 1
            2     8   9 1
            3     9  12 1
            4    11  10 1
            5    10   7 1
            6     5   1 1
            7     3   6 2
            8    11  12 1
            9    12  13 1
            10    5  11 1
            11    1   2 2
            12   13  14 1
            13    2   3 1
            14    1  15 1
            15   14  15 2
            16    5  16 1 #Down
            17    3   4 1
            18   13  16 1 #Down
            19    4   5 1


entry: C10615
name: --- - Shihunine
formula: C12H13NO2
kcf:
ATOM        15
            1   C1z C     0.3759    0.3310
            2   C8y C    -0.4103    0.0862
            3   O7x O     0.8517   -0.3345
            4   N1y N     1.1655    0.5483
            5   C1x C    -0.0793    1.0241
            6   C8y C    -0.4172   -0.7379
            7   C8x C    -1.1276    0.5034
            8   C7x C     0.3690   -1.0000
            9   C1x C     1.2069    1.3724
            10  C1a C     1.8793    0.1379
            11  C1x C     0.4379    1.6690
            12  C8x C    -1.1276   -1.1552
            13  C8x C    -1.8483    0.0897
            14  O7x O     0.5759   -1.7931
            15  C8x C    -1.8483   -0.7379
BOND        17
            1     1   2 1
            2     1   3 1 #Either
            3     1   4 1
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    8  14 2
            14   12  15 2
            15    6   8 1
            16    9  11 1
            17   13  15 1


entry: C10616
name: --- - (+)-Galbacin
formula: C20H20O5
kcf:
ATOM        25
            1   C8x C     6.9253  -11.3252
            2   C8y C     6.5084  -12.0371
            3   C8x C     6.9180  -12.7591
            4   C8x C     7.7408  -12.7629
            5   C8x C     2.3405  -12.7289
            6   C8x C     3.1632  -12.7462
            7   C8y C     3.5917  -12.0370
            8   C8x C     3.1932  -11.3148
            9   C1y C     5.4666  -12.8250
            10  C1y C     5.7234  -12.0409
            11  O2x O     5.0542  -11.5541
            12  C1y C     4.3891  -12.0409
            13  C1y C     4.6416  -12.8250
            14  C8y C     1.9385  -12.0004
            15  C8y C     2.3695  -11.2957
            16  O2x O     1.8324  -10.6721
            17  C1x C     1.0738  -10.9848
            18  O2x O     1.1351  -11.8082
            19  C8y C     7.7518  -11.3312
            20  C8y C     8.1600  -12.0475
            21  O2x O     8.9674  -11.8848
            22  C1x C     9.0539  -11.0654
            23  O2x O     8.3027  -10.7216
            24  C1a C     5.9841  -13.5305
            25  C1a C     4.0883  -13.4904
BOND        29
            1    10   2 1 #Up
            2    12   7 1 #Down
            3     3   4 2
            4    14   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8    14  15 2
            9    15  16 1
            10   16  17 1
            11   17  18 1
            12   18  14 1
            13    8  15 1
            14    4  20 1
            15   19   1 1
            16    1   2 2
            17   19  20 2
            18   20  21 1
            19   21  22 1
            20   22  23 1
            21   23  19 1
            22    2   3 1
            23    9  10 1
            24   10  11 1
            25   11  12 1
            26    9  24 1 #Down
            27   12  13 1
            28   13  25 1 #Up
            29   13   9 1


entry: C10617
name: --- - Sirodesmin H
formula: C20H26N2O8S
kcf:
ATOM        31
            1   C1z C     1.2793   -0.0069
            2   N1y N     0.7966   -0.6793
            3   C1x C     0.7793    0.6586
            4   S2x S     1.6828   -0.7207
            5   C5x C     2.1000   -0.0828
            6   C1y C     0.0069   -0.4414
            7   C5x C     1.1414   -1.4310
            8   C1z C    -0.0069    0.3862
            9   C1z C     1.9655   -1.5103
            10  N1y N     2.4448   -0.8345
            11  O5x O     2.5069    0.6414
            12  C1x C    -0.7793   -0.7069
            13  O5x O     0.7241   -2.1483
            14  C1y C    -0.8000    0.6379
            15  O1a O    -0.0138    1.2207
            16  C1b C     2.3793   -2.2207
            17  C1a C     3.2690   -0.8310
            18  C1z C    -1.2759   -0.0414
            19  O7a O    -0.8103    1.4655
            20  O1a O     3.2034   -2.2207
            21  C5x C    -1.7414    0.6448
            22  O2x O    -1.7862   -0.6966
            23  C7a C    -0.3966    2.1793
            24  C1z C    -2.5379    0.4138
            25  O5x O    -1.3345    1.3655
            26  C1y C    -2.5655   -0.4138
            27  C1a C     0.4276    2.1793
            28  O7a O    -0.9897    2.7690
            29  C1a C    -3.1345    1.0069
            30  C1a C    -3.3724    0.4207
            31  C1a C    -3.1586   -0.9966
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     9   4 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14    8  15 1 #Up
            15    9  16 1
            16   10  17 1
            17   12  18 1
            18   14  19 1 #Up
            19   16  20 1
            20   18  21 1 #Up
            21   18  22 1 #Down
            22   19  23 1
            23   21  24 1
            24   21  25 2
            25   22  26 1
            26   23  27 1
            27   23  28 2
            28   24  29 1
            29   24  30 1
            30   26  31 1 #Down
            31    6   8 1
            32    7   9 1
            33    9  10 1
            34   14  18 1
            35   24  26 1


entry: C10618
name: --- - Sporidesmin
formula: C18H20ClN3O6S2
kcf:
ATOM        30
            1   C1z C     1.0966    0.8414
            2   N1y N     1.0862    0.0138
            3   C1y C     0.3103    1.1035
            4   C5x C     1.8172    1.2483
            5   S3x S     1.5000    0.1276
            6   C1y C     0.3000   -0.2379
            7   C5x C     1.7966   -0.4034
            8   C1z C    -0.1828    0.4345
            9   O1a O     0.3034    1.9345
            10  N1y N     2.5241    0.8276
            11  O5x O     1.8103    2.0793
            12  S3x S     2.0966    0.7241
            13  N1y N    -0.1897   -0.9034
            14  C1z C     2.5172    0.0000
            15  O5x O     1.7862   -1.2310
            16  C8y C    -0.9724    0.1862
            17  O1a O    -0.6034    1.1586
            18  C1a C     3.3207    1.0517
            19  C8y C    -0.9759   -0.6414
            20  C1a C    -0.1966   -1.7310
            21  C1a C     3.2310   -0.4103
            22  C8x C    -1.6862    0.6000
            23  C8y C    -1.6862   -1.0552
            24  C8y C    -2.4069    0.1897
            25  C8y C    -2.4069   -0.6414
            26  O2a O    -1.6897   -1.8828
            27  X   Cl   -3.1241    0.6000
            28  O2a O    -3.1207   -1.0552
            29  C1a C    -2.4069   -2.2897
            30  C1a C    -3.8379   -0.6414
BOND        34
            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
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1
            16    8  17 1 #Down
            17   10  18 1
            18   13  19 1
            19   13  20 1
            20   14  21 1
            21   16  22 1
            22   19  23 1
            23   22  24 2
            24   23  25 2
            25   23  26 1
            26   24  27 1
            27   25  28 1
            28   26  29 1
            29   28  30 1
            30    6   8 1
            31   10  14 1
            32   14  12 1 #Down
            33   16  19 2
            34   24  25 1


entry: C10619
name: --- - Taxine A
formula: C35H47NO10
kcf:
ATOM        46
            1   C2y C    15.3377   -5.3973
            2   C1y C    16.0555   -4.9785
            3   C2x C    15.3540   -6.2141
            4   C1x C    14.6196   -4.9859
            5   C1x C    16.0504   -4.1469
            6   O7a O    16.7730   -5.3822
            7   C1y C    14.6457   -6.6353
            8   C1z C    14.6115   -4.1562
            9   C1y C    15.3263   -3.7390
            10  C7a C    17.4843   -4.9591
            11  C1y C    13.9252   -6.2334
            12  O7a O    14.6508   -7.4669
            13  C5x C    13.8940   -3.7525
            14  C1a C    14.5959   -3.3270
            15  O1a O    15.3136   -2.9081
            16  C1c C    18.2036   -5.3658
            17  O7a O    17.4656   -4.1317
            18  C1z C    13.9189   -5.4066
            19  C1x C    13.2151   -6.6518
            20  C7a C    13.9395   -7.8899
            21  C1y C    13.1856   -4.1738
            22  O5x O    13.8782   -2.9233
            23  C1c C    18.9060   -4.9480
            24  O1a O    18.2099   -6.1926
            25  C2y C    13.1996   -4.9999
            26  C1a C    13.8985   -4.5763
            27  C1a C    14.6335   -5.8121
            28  C1y C    12.4958   -6.2450
            29  C1a C    13.9500   -8.7102
            30  O7a O    13.2137   -7.4790
            31  O1a O    12.4556   -3.7694
            32  C8y C    18.8932   -4.1171
            33  N1c N    19.6265   -5.3500
            34  C2y C    12.4866   -5.4201
            35  O7a O    11.7875   -6.6663
            36  C8x C    19.6045   -3.6940
            37  C8x C    18.1680   -3.7139
            38  C1a C    20.3378   -4.9269
            39  C1a C    19.6316   -6.1815
            40  C1a C    11.7578   -5.0109
            41  C8x C    19.5936   -2.8661
            42  C8x C    18.1582   -2.8812
            43  C8x C    18.8695   -2.4582
            44  C7a C    11.0677   -6.2631
            45  C1a C    10.3587   -6.6848
            46  O7a O    11.0570   -5.4381
BOND        49
            1     1   4 1
            2     2   5 1
            3     2   6 1 #Down
            4     3   7 1
            5     4   8 1
            6     5   9 1
            7     6  10 1
            8     7  11 1
            9     7  12 1 #Down
            10    8  13 1
            11    8  14 1 #Up
            12    9  15 1 #Up
            13   10  16 1
            14   10  17 2
            15   11  18 1
            16   11  19 1
            17   12  20 1
            18   13  21 1
            19   13  22 2
            20   16  23 1
            21   16  24 1 #Up
            22   18  25 1
            23   18  26 1
            24   18  27 1
            25   19  28 1
            26   20  29 1
            27   20  30 2
            28   21  31 1 #Up
            29   23  32 1
            30   23  33 1 #Down
            31   25  34 2
            32   28  35 1 #Down
            33   32  36 1
            34   32  37 2
            35   33  38 1
            36   33  39 1
            37   34  40 1
            38   36  41 2
            39   37  42 1
            40   41  43 1
            41    8   9 1
            42   21  25 1
            43   28  34 1
            44   42  43 2
            45   35  44 1
            46    1   2 1
            47   44  45 1
            48    1   3 2
            49   44  46 2


entry: C10620
name: --- - (-)-Tylocrebrine
formula: C24H27NO4
kcf:
ATOM        29
            1   C8y C    -0.4897   -0.5862
            2   C8y C    -0.4897    0.2448
            3   C8y C     0.2241   -1.0035
            4   C8y C    -1.2103   -0.9931
            5   C8y C     0.2310    0.6586
            6   C8x C    -1.2138    0.6586
            7   C8y C     0.9448   -0.5862
            8   C8x C     0.2207   -1.8310
            9   C8y C    -1.2172   -1.8207
            10  O2a O    -1.9276   -0.5724
            11  C8y C     0.9517    0.2414
            12  C8x C     0.2310    1.4931
            13  C8y C    -1.2138    1.4931
            14  C1x C     1.6552   -1.0069
            15  C8x C    -0.5034   -2.2414
            16  O2a O    -1.9345   -2.2379
            17  C1a C    -2.6517   -0.9793
            18  C1x C     1.6690    0.6483
            19  C8y C    -0.4897    1.9069
            20  O2a O    -1.9310    1.9069
            21  N1y N     2.3724   -0.5966
            22  C1a C    -2.6552   -1.8207
            23  C1y C     2.3828    0.2241
            24  O2a O    -0.4931    2.7379
            25  C1a C    -2.6517    1.4966
            26  C1x C     3.1517   -0.8586
            27  C1x C     3.1655    0.4690
            28  C1a C     0.2276    3.1552
            29  C1x C     3.6414   -0.2000
BOND        33
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 2
            15    9  16 1
            16   10  17 1
            17   11  18 1
            18   12  19 2
            19   13  20 1
            20   14  21 1
            21   16  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   23  27 1
            27   24  28 1
            28   26  29 1
            29    7  11 2
            30    9  15 1
            31   13  19 1
            32   21  23 1
            33   27  29 1


entry: C10621
name: --- - Gomisin L1 methyl ether - Rubschisandrin - (-)-gamma-Schizandrin
formula: C23H28O6
kcf:
ATOM        29
            1   C8y C    12.9209   -8.5674
            2   C8y C    12.9554   -7.7529
            3   C8y C    12.1203   -8.8156
            4   C8y C    13.5037   -9.1087
            5   C8y C    13.5561   -7.1728
            6   C8y C    12.2030   -7.5487
            7   C8y C    11.8685   -9.5819
            8   O2a O    11.3988   -8.4811
            9   C8x C    13.2140   -9.9543
            10  C1x C    14.3044   -9.1467
            11  C8x C    13.3485   -6.3618
            12  C1x C    14.3569   -7.1315
            13  C8y C    11.9547   -6.7066
            14  O2a O    11.4023   -7.9357
            15  C8y C    12.4547  -10.1723
            16  O2x O    11.1230   -9.9578
            17  C1a C    10.6843   -8.8605
            18  C1y C    14.8155   -8.6087
            19  C8y C    12.5478   -6.1342
            20  C1y C    14.8155   -7.6805
            21  O2a O    11.1471   -6.4962
            22  C1a C    10.5981   -7.5073
            23  O2x O    12.0823  -10.9143
            24  C1x C    11.2574  -10.7826
            25  C1a C    15.4920   -9.0674
            26  O2a O    12.3513   -5.3232
            27  C1a C    15.5989   -7.3866
            28  C1a C    10.9222   -5.6921
            29  C1a C    11.5505   -5.0879
BOND        32
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 2
            15    7  16 1
            16    8  17 1
            17   10  18 1
            18   11  19 2
            19   12  20 1
            20   13  21 1
            21   14  22 1
            22   15  23 1
            23   16  24 1
            24   18  25 1 #Down
            25   19  26 1
            26   20  27 1 #Down
            27   21  28 1
            28   26  29 1
            29    9  15 1
            30   13  19 1
            31   18  20 1
            32   23  24 1


entry: C10622
name: --- - Grandisin
formula: C24H32O7
kcf:
ATOM        31
            1   C8x C    13.6463   -7.1086
            2   C8y C    13.2292   -7.8246
            3   C8x C    13.6386   -8.5468
            4   C8y C    14.4656   -8.5509
            5   C8y C    14.8869   -7.8349
            6   C8y C    14.4770   -7.1148
            7   C8y C     9.0510   -7.1128
            8   C8y C     8.6381   -7.8337
            9   C8y C     9.0601   -8.5510
            10  C8x C     9.8871   -8.5454
            11  C8y C    10.2958   -7.8246
            12  C8x C     9.8817   -7.1093
            13  C1y C    12.1875   -8.6168
            14  C1y C    12.4443   -7.8284
            15  O2x O    11.7708   -7.3375
            16  C1y C    11.0974   -7.8284
            17  C1y C    11.3583   -8.6168
            18  O2a O     8.6309   -6.3962
            19  O2a O     7.8090   -7.8385
            20  O2a O     8.6481   -9.2723
            21  O2a O    14.8992   -6.3994
            22  O2a O    15.7160   -7.8408
            23  O2a O    14.8782   -9.2718
            24  C1a C     7.8190   -9.2777
            25  C1a C     7.8018   -6.4002
            26  C1a C    15.7073   -9.2765
            27  C1a C    15.7283   -6.4058
            28  C1a C    12.6383   -9.2639
            29  C1a C    10.8800   -9.3071
            30  C1a C     7.3924   -7.1264
            31  C1a C    16.1336   -7.1292
BOND        33
            1    14   2 1 #Down
            2     4   5 1
            3     7  18 1
            4     5   6 2
            5     8  19 1
            6     7   8 1
            7     9  20 1
            8     8   9 2
            9     6  21 1
            10    9  10 1
            11    5  22 1
            12   10  11 2
            13    4  23 1
            14   11  12 1
            15   12   7 2
            16    6   1 1
            17   20  24 1
            18    1   2 2
            19   18  25 1
            20    2   3 1
            21    3   4 2
            22   23  26 1
            23   13  14 1
            24   21  27 1
            25   14  15 1
            26   15  16 1
            27   13  28 1 #Up
            28   16  17 1
            29   17  29 1 #Down
            30   17  13 1
            31   19  30 1
            32   16  11 1 #Up
            33   22  31 1


entry: C10623
name: --- - Tylophorine
formula: C24H27NO4
kcf:
ATOM        29
            1   C8y C    -0.5793    0.4138
            2   C8y C     0.1379    0.8172
            3   C8y C    -0.5862   -0.4103
            4   C8x C    -1.3103    0.8310
            5   C8y C     0.8483    0.4000
            6   C8x C     0.1345    1.6655
            7   C8y C     0.1241   -0.8310
            8   C8x C    -1.3103   -0.8207
            9   C8y C    -1.3103    1.6655
            10  C8y C     0.8414   -0.4241
            11  C1x C     1.5690    0.8207
            12  C8y C    -0.5862    2.0828
            13  C8x C     0.1207   -1.6586
            14  C8y C    -1.3138   -1.6483
            15  O2a O    -2.0276    2.0828
            16  C1x C     1.5586   -0.8310
            17  C1y C     2.2862    0.4000
            18  O2a O    -0.5897    2.9103
            19  C8y C    -0.6000   -2.0690
            20  O2a O    -2.0310   -2.0655
            21  C1a C    -2.7483    1.6690
            22  N1y N     2.2759   -0.4207
            23  C1x C     3.0690    0.6448
            24  C1a C     0.1310    3.3276
            25  O2a O    -0.6069   -2.8931
            26  C1a C    -2.7517   -1.6483
            27  C1x C     3.0552   -0.6828
            28  C1x C     3.5448   -0.0276
            29  C1a C    -1.3310   -3.3069
BOND        33
            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     5  10 2
            10    5  11 1
            11    6  12 2
            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   14  20 1
            20   15  21 1
            21   16  22 1
            22   17  23 1
            23   18  24 1
            24   19  25 1
            25   20  26 1
            26   22  27 1
            27   23  28 1
            28   25  29 1
            29    7  10 1
            30    9  12 1
            31   14  19 1
            32   17  22 1
            33   27  28 1


entry: C10624
name: --- - Verruculotoxin
formula: C15H20N2O
kcf:
ATOM        18
            1   N1y N     1.3552    0.4552
            2   C1y C     1.3552   -0.3690
            3   C1x C     0.6379    0.8724
            4   C1x C     2.0690    0.8655
            5   C5x C     0.6379   -0.7828
            6   C1x C     2.0690   -0.7828
            7   C1y C    -0.0793    0.4621
            8   C1x C     2.7793    0.4552
            9   N1x N    -0.0793   -0.3655
            10  O5x O     0.6276   -1.6138
            11  C1x C     2.7793   -0.3690
            12  C1b C    -0.7966    0.8724
            13  C8y C    -1.5103    0.4655
            14  C8x C    -2.2241    0.8759
            15  C8x C    -1.5103   -0.3655
            16  C8x C    -2.9414    0.4655
            17  C8x C    -2.2241   -0.7793
            18  C8x C    -2.9414   -0.3655
BOND        20
            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     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12   12  13 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7   9 1
            19    8  11 1
            20   17  18 1


entry: C10625
name: --- - Withasomnine
formula: C12H12N2
kcf:
ATOM        14
            1   C8y C     0.2310   -0.2931
            2   C8y C    -0.5517   -0.5552
            3   C8y C     0.4793    0.4966
            4   C8x C     0.7241   -0.9517
            5   N4y N    -0.5379   -1.3793
            6   C1x C    -1.3310   -0.3103
            7   C8x C     1.2897    0.6793
            8   C8x C    -0.0828    1.1069
            9   N5x N     0.2448   -1.6241
            10  C1x C    -1.3207   -1.6345
            11  C1x C    -1.8103   -0.9724
            12  C8x C     1.5345    1.4690
            13  C8x C     0.1621    1.8966
            14  C8x C     0.9724    2.0793
BOND        16
            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     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13   12  14 2
            14    5   9 1
            15   10  11 1
            16   13  14 1


entry: C10626
name: --- - Zinnimidine
formula: C15H19NO3
kcf:
ATOM        19
            1   C8y C     1.4172   -0.4034
            2   C8y C     1.4172    0.4241
            3   C8y C     0.6966   -0.8172
            4   C1x C     2.2034   -0.6621
            5   C8x C     0.6966    0.8414
            6   C5x C     2.2069    0.6793
            7   C8y C    -0.0172   -0.4034
            8   O2a O     0.7000   -1.6414
            9   N1x N     2.6966    0.0103
            10  C8y C    -0.0172    0.4241
            11  O5x O     2.4276    1.4828
            12  C1a C    -0.7310   -0.8138
            13  C1a C    -0.0138   -2.0552
            14  O2a O    -0.7310    0.8379
            15  C1b C    -1.4448    0.4207
            16  C2b C    -2.1621    0.8345
            17  C2c C    -2.8793    0.4172
            18  C1a C    -3.5966    0.8310
            19  C1a C    -2.8759   -0.4138
BOND        20
            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 1
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13   10  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   17  19 1
            19    6   9 1
            20    7  10 1


entry: C10627
name: --- - Hinokinin
formula: C20H18O6
kcf:
ATOM        26
            1   C1y C     4.6512  -13.0289
            2   C1y C     5.4829  -13.0289
            3   C1b C     3.9332  -13.4469
            4   C1x C     4.3918  -12.2419
            5   C1b C     6.2009  -13.4469
            6   C7x C     5.7380  -12.2419
            7   C8y C     3.2152  -13.0289
            8   O7x O     5.0650  -11.7557
            9   C8y C     6.9147  -13.0289
            10  O7x O     6.4285  -11.8454
            11  C8x C     3.2186  -12.2005
            12  C8x C     2.5008  -13.4469
            13  C8x C     6.9112  -12.2005
            14  C8x C     7.6292  -13.4469
            15  C8y C     2.5076  -11.7867
            16  C8x C     1.7828  -13.0289
            17  C8y C     7.6258  -11.7833
            18  C8x C     8.3471  -13.0289
            19  C8y C     1.7828  -12.1971
            20  O2x O     2.3387  -10.9723
            21  C8y C     8.3471  -12.2005
            22  O2x O     7.8016  -10.9723
            23  O2x O     1.1648  -11.6378
            24  C1x C     1.5103  -10.8784
            25  O2x O     8.9651  -11.6447
            26  C1x C     8.6264  -10.8819
BOND        30
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 2
            11    7  12 1
            12    9  13 2
            13    9  14 1
            14   11  15 1
            15   12  16 2
            16   13  17 1
            17   14  18 2
            18   15  19 2
            19   15  20 1
            20   17  21 2
            21   17  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26    6   8 1
            27   16  19 1
            28   18  21 1
            29   23  24 1
            30   25  26 1


entry: C10628
name: --- - cis-Hinokiresinol
formula: C17H16O2
kcf:
ATOM        19
            1   C8y C     6.1424  -12.2889
            2   C1c C     5.4251  -11.8786
            3   C8x C     6.1389  -13.1096
            4   C8x C     6.8527  -11.8717
            5   C2b C     5.4251  -11.0544
            6   C2b C     4.7113  -12.2924
            7   C8x C     6.8527  -13.5234
            8   C8x C     7.5665  -12.2855
            9   C2b C     4.7113  -10.6406
            10  C2a C     4.7113  -13.1165
            11  C8y C     7.5665  -13.1096
            12  C8y C     3.9906  -11.0579
            13  O1a O     8.2837  -13.5199
            14  C8x C     3.9906  -11.8855
            15  C8x C     3.2734  -10.6406
            16  C8x C     3.2734  -12.2992
            17  C8x C     2.5561  -11.0579
            18  C8y C     2.5561  -11.8855
            19  O1a O     1.8424  -12.2992
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     6  10 2
            10    7  11 2
            11    9  12 1
            12   11  13 1
            13   12  14 2
            14   12  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   18  19 1
            19    8  11 1
            20   17  18 1


entry: C10629
name: --- - Acronidine
formula: C18H17NO4
kcf:
ATOM        23
            1   N5x N    13.8963   -7.8250
            2   C8y C    13.8963   -6.1667
            3   C8y C    13.1801   -6.5792
            4   C8y C    13.1836   -7.4083
            5   C8x C    12.4709   -7.8280
            6   C8y C    11.7505   -7.4144
            7   C8y C    12.4639   -6.1697
            8   C8y C    11.7465   -6.5893
            9   O2x O    11.0224   -6.1815
            10  C1z C    11.0156   -5.3499
            11  C2x C    11.7329   -4.9262
            12  C2x C    12.4571   -5.3381
            13  C8y C    14.6166   -7.4083
            14  C8y C    14.6128   -6.5818
            15  C8x C    15.3979   -6.3241
            16  C8x C    15.8884   -6.9913
            17  O2x O    15.4040   -7.6588
            18  O2a O    13.9000   -5.3417
            19  O2a O    11.0375   -7.8292
            20  C1a C    10.3208   -7.4125
            21  C1a C    10.3000   -5.7583
            22  C1a C    10.3000   -4.9250
            23  C1a C    13.1833   -4.9208
BOND        26
            1     8   9 1
            2     9  10 1
            3    10  11 1
            4    11  12 2
            5    12   7 1
            6     4   5 1
            7     5   6 2
            8     6   8 1
            9     7   3 1
            10    2  14 2
            11   13  14 1
            12   14  15 1
            13   15  16 2
            14   16  17 1
            15   17  13 1
            16    2  18 1
            17   13   1 2
            18    6  19 1
            19    1   4 1
            20   19  20 1
            21    3   2 1
            22   10  21 1
            23    3   4 2
            24   10  22 1
            25    7   8 2
            26   18  23 1


entry: C10630
name: --- - Honokiol
formula: C18H18O2
kcf:
ATOM        20
            1   C8x C     5.8667   -3.4125
            2   C8x C     5.8667   -2.5833
            3   C8y C     6.5870   -2.1708
            4   C8x C     7.2990   -2.5833
            5   C8y C     7.2990   -3.4125
            6   C8y C     6.5870   -3.8291
            7   C1b C     8.0180   -3.8286
            8   C2b C     8.7363   -3.4114
            9   C2a C     9.4553   -3.8275
            10  C8y C     6.5881   -1.3416
            11  C8y C     5.8736   -0.9269
            12  C8x C     5.8746   -0.0977
            13  C8x C     6.5938    0.3139
            14  C8y C     7.3078   -0.0995
            15  C8x C     7.3067   -0.9287
            16  O1a O     5.1546   -1.3429
            17  C1b C     8.0269    0.3121
            18  C2b C     8.7450   -0.1013
            19  C2a C     9.4642    0.3103
            20  O1a O     6.5891   -4.6541
BOND        21
            1     6   1 2
            2     3  10 1
            3     1   2 1
            4     2   3 2
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  10 1
            11    5   7 1
            12   11  16 1
            13    3   4 1
            14    7   8 1
            15   14  17 1
            16    4   5 2
            17   17  18 1
            18    8   9 2
            19   18  19 2
            20    5   6 1
            21    6  20 1


entry: C10631
name: --- - Acronycidine - Furo(2,3-b)quinoline, 4,5,7,8-tetramethoxy-
formula: C15H15NO5
kcf:
ATOM        21
            1   N5x N    11.1379   -8.6666
            2   C8y C    11.1379   -7.0083
            3   C8y C    10.4218   -7.4208
            4   C8y C    10.4253   -8.2500
            5   C8y C     9.7126   -8.6697
            6   C8y C     8.9922   -8.2561
            7   C8x C     8.9887   -7.4269
            8   C8y C     9.7055   -7.0114
            9   C8y C    11.8583   -8.2500
            10  C8y C    11.8588   -7.4249
            11  C8x C    12.6439   -7.1716
            12  C8x C    13.1301   -7.8403
            13  O2x O    12.6430   -8.5083
            14  O2a O    11.1416   -6.1833
            15  O2a O     9.7083   -6.1833
            16  O2a O     9.7166   -9.4916
            17  O2a O     8.2791   -8.6708
            18  C1a C     7.5625   -8.2541
            19  C1a C    10.4333   -9.9000
            20  C1a C     8.9916   -5.7625
            21  C1a C    10.4250   -5.7625
BOND        23
            1     3   2 1
            2     2  10 2
            3     9  10 1
            4    10  11 1
            5    11  12 2
            6    12  13 1
            7    13   9 1
            8     3   4 2
            9     2  14 1
            10    4   5 1
            11    8  15 1
            12    5   6 2
            13    5  16 1
            14    6   7 1
            15    6  17 1
            16    7   8 2
            17   17  18 1
            18    8   3 1
            19   16  19 1
            20    9   1 2
            21   15  20 1
            22    1   4 1
            23   14  21 1


entry: C10632
name: --- - Acronycine - Acronine
formula: C20H19NO3
kcf:
ATOM        24
            1   C8x C    19.7397  -14.6328
            2   C8x C    19.7397  -16.0362
            3   C8x C    20.9587  -16.7342
            4   C8x C    20.9587  -13.9277
            5   C8y C    22.1708  -14.6328
            6   C8y C    22.1648  -16.0362
            7   N4y N    23.3779  -16.7393
            8   C8y C    23.3899  -13.9330
            9   C8y C    24.6033  -14.6432
            10  C8y C    24.5905  -16.0428
            11  C8x C    27.0452  -14.6650
            12  C8y C    25.8224  -13.9507
            13  C8y C    27.0096  -16.0645
            14  C8y C    25.7987  -16.7488
            15  C2x C    25.8326  -18.1466
            16  C2x C    26.9835  -18.8601
            17  C1z C    28.2013  -18.1690
            18  O2x O    28.2146  -16.7710
            19  O5x O    23.3782  -12.5780
            20  C1a C    23.3639  -18.1911
            21  O2a O    25.8179  -12.6065
            22  C1a C    29.4609  -18.8847
            23  C1a C    29.4609  -17.4746
            24  C1a C    27.0075  -11.9147
BOND        27
            1    10  14 1
            2    13  11 1
            3    11  12 2
            4    12   9 1
            5     2   3 2
            6     3   6 1
            7     5   6 2
            8     6   7 1
            9     7  10 1
            10    9   8 1
            11   13  14 2
            12   14  15 1
            13   15  16 2
            14   16  17 1
            15   17  18 1
            16   18  13 1
            17    8   5 1
            18    8  19 2
            19    5   4 1
            20    7  20 1
            21    4   1 2
            22   12  21 1
            23    1   2 1
            24   17  22 1
            25    9  10 2
            26   17  23 1
            27   21  24 1


entry: C10633
name: --- - Justicidin A
formula: C22H18O7
kcf:
ATOM        29
            1   C8y C     9.4153   -7.3037
            2   C8y C     8.7015   -6.8864
            3   C8y C    10.1291   -6.8968
            4   C8y C     9.4084   -8.1278
            5   C8y C     8.7050   -6.0623
            6   C8x C     7.9946   -7.3002
            7   C8y C    10.1360   -6.0692
            8   C7x C    10.9153   -7.1588
            9   C8x C    10.1222   -8.5381
            10  C8x C     8.6946   -8.5312
            11  C8y C     9.4222   -5.6519
            12  C8x C     7.9946   -5.6485
            13  C1x C    10.9257   -5.8174
            14  O7x O    11.4084   -6.4933
            15  O7x O    11.1636   -7.9450
            16  C8y C    10.1188   -9.3623
            17  C8x C     8.6877   -9.3554
            18  C8y C     9.3981   -9.7726
            19  O2x O    10.7291   -9.9244
            20  O2x O     9.5636  -10.5864
            21  C1x C    10.3877  -10.6795
            22  C8y C     7.2752   -6.8885
            23  C8y C     7.2774   -6.0623
            24  O2a O     6.5636   -5.6487
            25  O2a O     6.5610   -7.3014
            26  C1a C     5.8485   -6.0601
            27  C1a C     5.8463   -6.8893
            28  O2a O     9.4261   -4.8269
            29  C1a C    10.1424   -4.4177
BOND        33
            1     3   8 1
            2     4   9 2
            3     4  10 1
            4     5  11 1
            5     5  12 1
            6     6  22 2
            7     7  13 1
            8     8  14 1
            9     8  15 2
            10    9  16 1
            11   10  17 2
            12   12  23 2
            13   16  18 2
            14   16  19 1
            15   18  20 1
            16   19  21 1
            17    7  11 2
            18   13  14 1
            19   17  18 1
            20   20  21 1
            21    1   2 1
            22   22  23 1
            23    1   3 2
            24   23  24 1
            25    1   4 1
            26   22  25 1
            27    2   5 2
            28   24  26 1
            29    2   6 1
            30   25  27 1
            31   11  28 1
            32    3   7 1
            33   28  29 1


entry: C10634
name: --- - Acrophylline
formula: C17H17NO3
kcf:
ATOM        21
            1   N4y N    13.8422   -7.5291
            2   C8y C    13.8422   -5.8708
            3   C8y C    13.1260   -6.2833
            4   C8y C    13.1295   -7.1125
            5   C8x C    12.4168   -7.5322
            6   C8y C    11.6964   -7.1186
            7   C8x C    11.6929   -6.2894
            8   C8x C    12.4098   -5.8739
            9   C8y C    14.5625   -7.1125
            10  C8y C    14.5601   -6.2816
            11  C8x C    15.3497   -6.0238
            12  C8x C    15.8417   -6.6954
            13  O2x O    15.3537   -7.3698
            14  O5x O    13.8500   -5.0416
            15  C1b C    13.8459   -8.3541
            16  C2b C    13.1292   -8.7625
            17  C2c C    13.1292   -9.5875
            18  C1a C    12.4167  -10.0000
            19  C1a C    13.8500  -10.0000
            20  O2a O    10.9834   -7.5291
            21  C1a C    10.2667   -7.1125
BOND        23
            1     3   2 1
            2     2  10 1
            3     9  10 2
            4    10  11 1
            5    11  12 2
            6    12  13 1
            7    13   9 1
            8     3   4 2
            9     2  14 2
            10    4   5 1
            11    1  15 1
            12    5   6 2
            13   15  16 1
            14    6   7 1
            15   16  17 2
            16    7   8 2
            17   17  18 1
            18    8   3 1
            19   17  19 1
            20    9   1 1
            21    6  20 1
            22    1   4 1
            23   20  21 1


entry: C10635
name: --- - Aniflorine
formula: C20H21N3O3
kcf:
ATOM        26
            1   C8y C    10.3166   -6.2916
            2   C8y C    11.0333   -6.7000
            3   C8x C    11.0380   -7.5290
            4   C8x C    10.3260   -7.9496
            5   C8x C     9.6052   -7.5371
            6   C8x C     9.6005   -6.7081
            7   N5x N     8.8004   -5.6208
            8   C8y C     8.8004   -3.9625
            9   C8y C     8.0843   -4.3791
            10  C8y C     8.0878   -5.2083
            11  C8y C     7.3709   -5.6238
            12  C8x C     6.6505   -5.2144
            13  C8x C     6.6470   -4.3852
            14  C8x C     7.3639   -3.9655
            15  C8y C     9.5208   -5.2083
            16  N4y N     9.5227   -4.3789
            17  C1x C    10.3124   -4.1215
            18  C1x C    10.7958   -4.7945
            19  C1z C    10.3092   -5.4652
            20  N1c N    11.7500   -6.2875
            21  C1a C    12.4666   -6.7000
            22  O1a O    11.0291   -5.8708
            23  C1a C    11.7541   -5.4583
            24  O5x O     8.8083   -3.1333
            25  O2a O     7.3750   -6.4458
            26  C1a C     8.0916   -6.8583
BOND        29
            1    10  11 1
            2    11  12 2
            3    12  13 1
            4    13  14 2
            5    14   9 1
            6     1   2 2
            7    15   7 2
            8     7  10 1
            9     9   8 1
            10    8  16 1
            11   15  16 1
            12   16  17 1
            13   17  18 1
            14   18  19 1
            15   19  15 1
            16   19   1 1
            17    2   3 1
            18    2  20 1
            19    3   4 2
            20   20  21 1
            21    4   5 1
            22   19  22 1 #Down
            23    5   6 2
            24   20  23 1
            25    6   1 1
            26    8  24 2
            27   11  25 1
            28    9  10 2
            29   25  26 1


entry: C10636
name: --- - Justicidin B
formula: C21H16O6
kcf:
ATOM        27
            1   C8y C     2.1820   -1.9245
            2   C8y C     1.4682   -1.5072
            3   C8y C     2.8958   -1.5176
            4   C8y C     2.1751   -2.7486
            5   C8y C     1.4717   -0.6831
            6   C8x C     0.7613   -1.9210
            7   C8y C     2.9027   -0.6900
            8   C7x C     3.6820   -1.7796
            9   C8x C     2.8889   -3.1589
            10  C8x C     1.4613   -3.1520
            11  C8x C     2.1889   -0.2727
            12  C8x C     0.7613   -0.2693
            13  C1x C     3.6924   -0.4382
            14  O7x O     4.1751   -1.1141
            15  O7x O     3.9303   -2.5658
            16  C8y C     2.8855   -3.9831
            17  C8x C     1.4544   -3.9762
            18  C8y C     2.1648   -4.3934
            19  O2x O     3.4958   -4.5452
            20  O2x O     2.3303   -5.2072
            21  C1x C     3.1544   -5.3003
            22  C8y C     0.0419   -1.5093
            23  C8y C     0.0441   -0.6831
            24  O2a O    -0.6697   -0.2695
            25  O2a O    -0.6723   -1.9222
            26  C1a C    -1.3848   -0.6809
            27  C1a C    -1.3870   -1.5101
BOND        31
            1     3   7 1
            2     3   8 1
            3     4   9 2
            4     4  10 1
            5     5  11 1
            6     5  12 1
            7     6  22 2
            8     7  13 1
            9     8  14 1
            10    8  15 2
            11    9  16 1
            12   10  17 2
            13   12  23 2
            14   16  18 2
            15   16  19 1
            16   18  20 1
            17   19  21 1
            18    7  11 2
            19   13  14 1
            20   17  18 1
            21   20  21 1
            22    1   2 1
            23   22  23 1
            24    1   3 2
            25   23  24 1
            26    1   4 1
            27   22  25 1
            28    2   5 2
            29   24  26 1
            30    2   6 1
            31   25  27 1


entry: C10637
name: --- - Anisessine
formula: C20H19N3O3
kcf:
ATOM        26
            1   C8y C    14.0375   -5.4750
            2   C8y C    14.7584   -5.8875
            3   C8x C    14.7631   -6.7165
            4   C8x C    14.0469   -7.1330
            5   C8x C    13.3261   -6.7246
            6   C8x C    13.3214   -5.8957
            7   C7a C    15.4750   -5.4708
            8   O7a O    16.1917   -5.8875
            9   O7a O    15.4792   -4.6417
            10  C1b C    16.9084   -5.4750
            11  C1a C    17.6250   -5.8917
            12  N5x N    11.8088   -4.4000
            13  C8y C    11.8088   -2.7417
            14  C8y C    11.0968   -3.1542
            15  C8y C    11.1004   -3.9833
            16  C8x C    10.3835   -4.4030
            17  C8x C     9.6631   -3.9894
            18  C8x C     9.6596   -3.1603
            19  C8x C    10.3764   -2.7447
            20  C8y C    12.5292   -3.9833
            21  N4y N    12.5311   -3.1539
            22  C1x C    13.3208   -2.9007
            23  C1x C    13.8084   -3.5737
            24  C1y C    13.3176   -4.2444
            25  O5x O    11.8167   -1.9125
            26  N1b N    14.0375   -4.6500
BOND        29
            1    14  13 1
            2    13  21 1
            3     2   7 1
            4     1   2 1
            5     7   8 1
            6     2   3 2
            7     7   9 2
            8    14  15 2
            9    15  16 1
            10   16  17 2
            11   17  18 1
            12   18  19 2
            13   19  14 1
            14    3   4 1
            15    8  10 1
            16    4   5 2
            17   10  11 1
            18    5   6 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   23  24 1
            23   24  20 1
            24    6   1 2
            25   13  25 2
            26   20  12 2
            27   24  26 1
            28   26   1 1
            29   12  15 1


entry: C10638
name: --- - Kadsurenone
formula: C21H24O5
kcf:
ATOM        26
            1   C2y C     2.9375  -11.7542
            2   C5x C     2.9375  -12.5792
            3   C2x C     3.6496  -12.9917
            4   C2x C     3.6496  -11.3416
            5   C1z C     4.3615  -11.7542
            6   C2y C     4.3580  -12.5812
            7   O2x O     5.1436  -12.8401
            8   C1y C     5.6324  -12.1730
            9   C1y C     5.1491  -11.5019
            10  C8y C     6.4573  -12.1764
            11  C8x C     6.8630  -12.8930
            12  C8y C     7.6881  -12.8964
            13  C8y C     8.1036  -12.1836
            14  C8x C     7.6940  -11.4674
            15  C8x C     6.8690  -11.4640
            16  C1b C     2.2191  -11.3413
            17  C2b C     1.5044  -11.7534
            18  C2a C     0.7902  -11.3405
            19  O5x O     2.2191  -12.9921
            20  O2a O     4.3519  -10.9585
            21  O2a O     8.9285  -12.1871
            22  O2a O     8.0976  -13.6125
            23  C1a C     8.9226  -13.6160
            24  C1a C     9.3380  -12.9033
            25  C1a C     5.8159  -10.9229
            26  C1a C     3.6326  -10.5547
BOND        28
            1    11  12 1
            2    12  13 2
            3    13  14 1
            4    14  15 2
            5    15  10 1
            6     5   6 1
            7     1  16 1
            8     6   7 1
            9    16  17 1
            10    7   8 1
            11   17  18 2
            12    8   9 1
            13    2  19 2
            14    9   5 1
            15    5  20 1 #Up
            16    4   1 2
            17    8  10 1 #Up
            18   13  21 1
            19   12  22 1
            20    1   2 1
            21   22  23 1
            22    2   3 1
            23   21  24 1
            24    3   6 2
            25    5   4 1
            26    9  25 1 #Down
            27   10  11 2
            28   20  26 1


entry: C10639
name: --- - Anisotine
formula: C20H19N3O3
kcf:
ATOM        26
            1   C7a C    11.9333  -13.7209
            2   O7a O    12.6500  -13.3084
            3   O7a O    11.9375  -14.5500
            4   C1a C    13.3708  -13.7209
            5   C8y C    10.4833  -12.0750
            6   C8x C    11.2041  -12.4875
            7   C8y C    11.2088  -13.3165
            8   C8y C    10.4927  -13.7330
            9   C8x C     9.7719  -13.3247
            10  C8x C     9.7672  -12.4957
            11  N5x N     8.9671  -11.4042
            12  C8y C     8.9671   -9.7459
            13  C8y C     8.2509  -10.1625
            14  C8y C     8.2545  -10.9917
            15  C8x C     7.5418  -11.4072
            16  C8x C     6.8214  -10.9978
            17  C8x C     6.8178  -10.1686
            18  C8x C     7.5347   -9.7489
            19  C8y C     9.6875  -10.9917
            20  N4y N     9.6894  -10.1623
            21  C1x C    10.4790   -9.9049
            22  C1x C    10.9666  -10.5779
            23  C1y C    10.4759  -11.2486
            24  O5x O     8.9750   -8.9167
            25  N1b N    10.5000  -14.5542
            26  C1a C    11.2208  -14.9625
BOND        29
            1     1   3 2
            2     5   6 2
            3     6   7 1
            4     7   8 2
            5     8   9 1
            6    13  14 2
            7    14  15 1
            8    15  16 2
            9    16  17 1
            10   17  18 2
            11   18  13 1
            12    9  10 2
            13   10   5 1
            14    1   2 1
            15    2   4 1
            16   19  11 2
            17   19  20 1
            18   20  21 1
            19   21  22 1
            20   22  23 1
            21   23  19 1
            22   23   5 1
            23   11  14 1
            24   13  12 1
            25   12  24 2
            26    7   1 1
            27   12  20 1
            28    8  25 1
            29   25  26 1


entry: C10640
name: --- - Kadsurin A
formula: C21H24O6
kcf:
ATOM        27
            1   C2y C     3.1166  -11.6583
            2   C5x C     3.1166  -12.4792
            3   C1x C     3.8287  -12.8916
            4   C2x C     3.8287  -11.2500
            5   C1z C     4.5407  -11.6583
            6   C1z C     4.5373  -12.4812
            7   O2x O     5.3144  -12.7400
            8   C1y C     5.7990  -12.0772
            9   C1y C     5.3200  -11.4102
            10  C8y C     6.6198  -12.0806
            11  C8x C     7.0298  -12.7929
            12  C8x C     7.8565  -11.3758
            13  C8x C     7.0357  -11.3724
            14  C1b C     2.4024  -11.2496
            15  C2b C     1.6919  -11.6576
            16  C2a C     0.9818  -11.2489
            17  O5x O     2.4024  -12.8920
            18  O2a O     4.5311  -10.8668
            19  C1a C     5.9825  -10.8312
            20  C1a C     3.8159  -10.4672
            21  C8y C     8.2577  -12.0878
            22  C8y C     7.8525  -12.7983
            23  O2x O     8.3976  -13.4113
            24  C1x C     9.1463  -13.0728
            25  O2x O     9.0599  -12.2575
            26  O2a O     4.5321  -13.4121
            27  C1a C     3.7269  -13.8669
BOND        30
            1    13  10 1
            2     3   6 1
            3     1  14 1
            4     5   4 1
            5    14  15 1
            6     5   6 1
            7    15  16 2
            8     6   7 1
            9     2  17 2
            10    7   8 1
            11    5  18 1 #Up
            12    8   9 1
            13    9   5 1
            14    4   1 2
            15    9  19 1 #Down
            16    8  10 1 #Up
            17   18  20 1
            18    1   2 1
            19    2   3 1
            20   10  11 2
            21   11  22 1
            22   21  22 2
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  21 1
            27   21  12 1
            28    6  26 1 #Up
            29   12  13 2
            30   26  27 1


entry: C10641
name: --- - Aurachin D
formula: C25H33NO
kcf:
ATOM        27
            1   C8x C    -0.9208  -11.8833
            2   C8x C    -0.9208  -12.7125
            3   C8x C    -0.2005  -13.1250
            4   C8x C    -0.2005  -11.4667
            5   C8y C     0.5115  -11.8833
            6   C8y C     0.5080  -12.7125
            7   N4x N     1.2249  -13.1280
            8   C8y C     1.9453  -12.7186
            9   C8y C     1.9488  -11.8894
            10  C8y C     1.2319  -11.4697
            11  C1b C     2.6625  -11.4750
            12  C2b C     3.3792  -11.8917
            13  C2c C     4.0958  -11.4792
            14  C1b C     4.8125  -11.8958
            15  C1b C     5.5292  -11.4833
            16  C2b C     6.2417  -11.9000
            17  C2c C     6.9583  -11.4875
            18  C1b C     7.6750  -11.9042
            19  C1b C     8.3917  -11.4917
            20  C2b C     9.1083  -11.9083
            21  C2c C     9.8250  -11.4958
            22  C1a C    10.5417  -11.9125
            23  O5x O     1.2250  -10.6375
            24  C1a C     2.6583  -13.1292
            25  C1a C     4.0917  -10.6500
            26  C1a C     6.9542  -10.6583
            27  C1a C     9.8208  -10.6667
BOND        28
            1    12  13 2
            2     3   6 1
            3    13  14 1
            4     5   4 1
            5    14  15 1
            6     4   1 2
            7    15  16 1
            8     5   6 2
            9    16  17 2
            10    6   7 1
            11   17  18 1
            12    7   8 1
            13   18  19 1
            14    8   9 2
            15   19  20 1
            16    9  10 1
            17   20  21 2
            18   10   5 1
            19   21  22 1
            20   10  23 2
            21    9  11 1
            22    8  24 1
            23    1   2 1
            24   13  25 1
            25   11  12 1
            26   17  26 1
            27    2   3 2
            28   21  27 1


entry: C10642
name: --- - Arborine - Glycosine
formula: C16H14N2O
kcf:
ATOM        19
            1   C8y C     6.4958  -12.4500
            2   C8x C     7.2125  -12.8667
            3   C8x C     7.9260  -12.4517
            4   C8x C     7.9270  -11.6242
            5   C8x C     7.2145  -11.2117
            6   C8x C     6.4968  -11.6225
            7   C8x C     2.2000  -11.6208
            8   C8x C     2.2000  -12.4500
            9   C8x C     2.9162  -12.8667
            10  C8x C     2.9162  -11.2083
            11  C8y C     3.6324  -11.6208
            12  C8y C     3.6288  -12.4500
            13  N4y N     4.3457  -12.8697
            14  C8y C     5.0661  -12.4561
            15  N5x N     5.0696  -11.6269
            16  C8y C     4.3528  -11.2114
            17  C1b C     5.7792  -12.8667
            18  O5x O     4.3458  -10.3792
            19  C1a C     4.3375  -13.6958
BOND        21
            1     9  12 1
            2    11  10 1
            3    10   7 2
            4     4   5 1
            5     5   6 2
            6     6   1 1
            7     1   2 2
            8     2   3 1
            9    11  12 2
            10   12  13 1
            11   13  14 1
            12   14  15 2
            13   15  16 1
            14   16  11 1
            15    3   4 2
            16   14  17 1
            17   17   1 1
            18    7   8 1
            19   16  18 2
            20    8   9 2
            21   13  19 1


entry: C10643
name: --- - Arborinine
formula: C16H15NO4
kcf:
ATOM        21
            1   C8x C     1.9458  -11.6208
            2   C8x C     1.9458  -12.4500
            3   C8x C     2.6662  -12.8667
            4   C8x C     2.6662  -11.2083
            5   C8y C     3.3824  -11.6208
            6   C8y C     3.3788  -12.4500
            7   N4y N     4.0957  -12.8697
            8   C8y C     4.1028  -11.2114
            9   O5x O     4.0958  -10.3792
            10  C1a C     4.0875  -13.6958
            11  C8y C     4.8196  -11.6269
            12  C8y C     4.8122  -12.4539
            13  C8x C     5.5252  -12.8760
            14  C8y C     6.2415  -12.4668
            15  C8y C     6.2490  -11.6398
            16  C8y C     5.5401  -11.2220
            17  O1a O     5.5333  -10.3917
            18  O2a O     6.9667  -11.2333
            19  C1a C     7.6792  -11.6500
            20  O2a O     6.9500  -12.8875
            21  C1a C     7.6708  -12.4792
BOND        23
            1     4   1 2
            2     7  10 1
            3     1   2 1
            4     2   3 2
            5     3   6 1
            6     5   6 2
            7     6   7 1
            8    11  12 2
            9    12  13 1
            10   13  14 2
            11   14  15 1
            12   15  16 2
            13   16  11 1
            14    7  12 1
            15   16  17 1
            16   11   8 1
            17   15  18 1
            18    8   5 1
            19   18  19 1
            20    5   4 1
            21   14  20 1
            22    8   9 2
            23   20  21 1


entry: C10644
name: --- - Atalanine
formula: C34H30N2O9
kcf:
ATOM        45
            1   C8y C     4.9042  -12.9167
            2   C8y C     4.1875  -12.5000
            3   C8x C     4.1855  -14.1549
            4   C8x C     4.9032  -13.7441
            5   C8y C     5.6205  -11.6780
            6   O2a O     5.6208  -12.5042
            7   C8y C     3.4689  -13.7424
            8   C8y C     3.4709  -12.9168
            9   N4y N     2.7564  -12.5002
            10  C8y C     2.7523  -14.1513
            11  C8y C     2.0378  -13.7389
            12  C8y C     2.0418  -12.9170
            13  C8x C     1.3315  -12.5005
            14  C8y C     0.6213  -12.9100
            15  C8x C     0.6173  -13.7319
            16  C8y C     1.3235  -14.1442
            17  C8y C     8.4838  -10.0417
            18  C8y C     7.7676  -11.2875
            19  C8y C     7.7712  -10.4583
            20  C8y C     7.0543  -10.0386
            21  N4y N     7.0472  -11.6969
            22  C8x C     9.2042  -10.4583
            23  C8y C     9.2003  -11.2848
            24  C8y C     8.4841  -11.7014
            25  C1y C     8.6604  -12.5115
            26  C1y C     9.4854  -12.5970
            27  O2x O     9.8207  -11.8374
            28  C1c C    10.2083  -13.0125
            29  C1a C    10.2125  -13.8417
            30  C1a C    10.9292  -12.6042
            31  O1a O     8.2542  -13.2333
            32  O1a O     8.4917   -9.2125
            33  C8y C     6.3341  -11.2773
            34  C8y C     6.3420  -10.4544
            35  C8x C     5.6327  -10.0340
            36  C8x C     4.9155  -10.4407
            37  C8x C     4.9076  -11.2637
            38  C1a C     7.0542  -12.5292
            39  O5x O     7.0625   -9.2125
            40  O1a O     4.1917  -11.6708
            41  C1a C     2.7625  -11.6750
            42  O5x O     2.7583  -14.9833
            43  O1a O     1.3292  -14.9750
            44  O2a O    -0.0917  -12.5000
            45  C1a C    -0.8083  -12.9167
BOND        51
            1    21  18 1
            2     9  12 1
            3    21  33 1
            4    11  10 1
            5    22  23 1
            6    10   7 1
            7     1   2 2
            8     5   6 1
            9     6   1 1
            10   23  24 2
            11   24  25 1
            12   25  26 1
            13   26  27 1
            14   27  23 1
            15    2   8 1
            16   26  28 1 #Down
            17    7   3 1
            18   28  29 1
            19   11  12 2
            20   28  30 1
            21   12  13 1
            22   25  31 1 #Up
            23   13  14 2
            24   17  32 1
            25   14  15 1
            26   15  16 2
            27   16  11 1
            28    3   4 2
            29   22  17 2
            30   33  34 2
            31   34  35 1
            32   35  36 2
            33   36  37 1
            34   37   5 2
            35    5  33 1
            36   17  19 1
            37   21  38 1
            38   18  24 1
            39   20  39 2
            40    4   1 1
            41    2  40 1
            42    7   8 2
            43    9  41 1
            44    8   9 1
            45   10  42 2
            46   18  19 2
            47   16  43 1
            48   19  20 1
            49   14  44 1
            50   20  34 1
            51   44  45 1


entry: C10645
name: --- - Atalaphylline
formula: C23H25NO4
kcf:
ATOM        28
            1   C1b C     5.0583  -13.0166
            2   C2b C     5.7750  -13.4250
            3   C2c C     5.7750  -14.2500
            4   C1a C     6.4875  -14.6625
            5   C1a C     5.0542  -14.6625
            6   N4x N     3.6370  -12.1875
            7   C8y C     3.6370  -10.5291
            8   C8y C     4.3532  -10.9416
            9   C8y C     4.3497  -11.7708
            10  C8y C     5.0665  -12.1905
            11  C8y C     5.7869  -11.7769
            12  C8y C     5.7905  -10.9477
            13  C8y C     5.0736  -10.5322
            14  O5x O     3.6292   -9.7000
            15  O1a O     6.4958  -12.1875
            16  C8y C     2.9167  -11.7708
            17  C8y C     2.9191  -10.9400
            18  C8x C     2.2003  -10.5245
            19  C8x C     1.4789  -10.9357
            20  C8x C     1.4765  -11.7665
            21  C8y C     2.1953  -12.1862
            22  O1a O     2.1875  -13.0125
            23  O1a O     5.0667   -9.7000
            24  C1b C     6.5000  -10.5375
            25  C2b C     7.2167  -10.9500
            26  C2c C     7.9333  -10.5416
            27  C1a C     8.6500  -10.9541
            28  C1a C     7.9292   -9.7125
BOND        30
            1     7  14 2
            2     8   7 1
            3    11  15 1
            4     7  17 1
            5     3   4 1
            6     3   5 1
            7     2   3 2
            8     1   2 1
            9    16  17 2
            10   17  18 1
            11   18  19 2
            12   19  20 1
            13   20  21 2
            14   21  16 1
            15   16   6 1
            16   21  22 1
            17   10   1 1
            18    8   9 2
            19    9  10 1
            20   13  23 1
            21   10  11 2
            22   12  24 1
            23   11  12 1
            24   24  25 1
            25   12  13 2
            26   25  26 2
            27   13   8 1
            28   26  27 1
            29    6   9 1
            30   26  28 1


entry: C10646
name: --- - Lariciresinol
formula: C20H24O6
kcf:
ATOM        26
            1   C8x C    11.9963   -7.7715
            2   C8y C    11.5792   -8.4875
            3   C8x C    11.9886   -9.2097
            4   C8x C    12.8156   -9.2138
            5   C8y C    13.2369   -8.4978
            6   C8y C    12.8270   -7.7777
            7   O2a O    13.2492   -7.0623
            8   O1a O    14.0660   -8.5037
            9   C1a C    14.0783   -7.0687
            10  C8y C     7.1677   -6.3378
            11  C8y C     6.7548   -7.0587
            12  C8x C     7.1768   -7.7760
            13  C8x C     8.0038   -7.7704
            14  C8y C     8.4125   -7.0496
            15  C8x C     7.9984   -6.3343
            16  C1y C    10.3042   -7.8418
            17  C1x C    10.5610   -7.0534
            18  O2x O     9.8875   -6.5625
            19  C1y C     9.2141   -7.0534
            20  C1y C     9.4750   -7.8418
            21  O2a O     6.7476   -5.6212
            22  O1a O     5.9257   -7.0635
            23  C1a C     5.9185   -5.6252
            24  C1b C    10.7550   -8.4889
            25  C1b C     8.9967   -8.5321
            26  O1a O     8.1708   -8.5292
BOND        28
            1     2   3 1
            2     3   4 2
            3     7   9 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     5   8 1
            8     6   1 1
            9    19  14 1 #Up
            10   10  21 1
            11   11  22 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  10 2
            18   21  23 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   16  24 1 #Down
            23   19  20 1
            24   20  25 1 #Down
            25   20  16 1
            26    1   2 2
            27   25  26 1
            28   24   2 1


entry: C10647
name: --- - Balfourodine
formula: C16H19NO4
comment: (+)-form
kcf:
ATOM        21
            1   N4y N    14.9172  -15.9833
            2   C8y C    14.9172  -14.3250
            3   C8y C    14.2010  -14.7375
            4   C8y C    14.2045  -15.5666
            5   C8y C    13.4877  -15.9863
            6   C8x C    12.7673  -15.5727
            7   C8x C    12.7637  -14.7436
            8   C8x C    13.4806  -14.3280
            9   C8y C    15.6375  -15.5666
            10  C8y C    15.6380  -14.7415
            11  C1x C    16.4231  -14.4883
            12  C1y C    16.9051  -15.1569
            13  O2x O    16.4223  -15.8208
            14  O5x O    14.9209  -13.5000
            15  O2a O    13.4917  -16.8083
            16  C1a C    14.2125  -17.2166
            17  C1a C    14.9250  -16.8125
            18  C1d C    17.7375  -15.1500
            19  C1a C    17.9542  -15.9500
            20  O1a O    18.5667  -15.1458
            21  C1a C    18.1584  -14.4291
BOND        23
            1     9   1 1
            2     3   4 2
            3     9  10 2
            4    10  11 1
            5    11  12 1
            6    12  13 1
            7    13   9 1
            8     4   5 1
            9     2  14 2
            10    5   6 2
            11    5  15 1
            12    6   7 1
            13   15  16 1
            14    2  10 1
            15    7   8 2
            16    1  17 1
            17    8   3 1
            18   12  18 1 #Down
            19    1   4 1
            20   18  19 1
            21    3   2 1
            22   18  20 1
            23   18  21 1


entry: C10648
name: --- - Balfourodinium
formula: C17H22NO4
kcf:
ATOM        22
            1   N5y N    14.9172  -15.8375 #+
            2   C8y C    14.9172  -14.1792
            3   C8y C    14.2010  -14.5917
            4   C8y C    14.2045  -15.4209
            5   C8y C    13.4877  -15.8406
            6   C8x C    12.7673  -15.4270
            7   C8x C    12.7637  -14.5978
            8   C8x C    13.4806  -14.1823
            9   C8y C    15.6375  -15.4209
            10  C8y C    15.6380  -14.5958
            11  C1x C    16.4231  -14.3425
            12  C1y C    16.9051  -15.0112
            13  O2x O    16.4223  -15.6792
            14  O2a O    14.9209  -13.3542
            15  O2a O    13.4917  -16.6625
            16  C1a C    14.2125  -17.0709
            17  C1a C    14.9250  -16.6667
            18  C1a C    14.2042  -12.9334
            19  C1d C    17.7375  -15.0042
            20  O1a O    18.5667  -15.0042
            21  C1a C    18.1584  -15.7209
            22  C1a C    18.1584  -14.2834
BOND        24
            1     3   4 2
            2     9  10 1
            3    10  11 1
            4    11  12 1
            5    12  13 1
            6    13   9 1
            7     4   5 1
            8     2  14 1
            9     5   6 2
            10    5  15 1
            11    6   7 1
            12   15  16 1
            13    2  10 2
            14    7   8 2
            15    1  17 1
            16    8   3 1
            17   14  18 1
            18    1   4 1
            19   12  19 1 #Down
            20    3   2 1
            21   19  20 1
            22   19  21 1
            23    9   1 2
            24   19  22 1


entry: C10649
name: --- - Bucharaine
formula: C19H25NO4
kcf:
ATOM        24
            1   C8x C     0.8708  -12.5042
            2   C8x C     0.8708  -13.3333
            3   C8x C     1.5912  -13.7500
            4   C8x C     1.5912  -12.0917
            5   C8y C     2.3074  -12.5042
            6   C8y C     2.3038  -13.3333
            7   N4x N     3.0207  -13.7530
            8   C8y C     3.7369  -13.3394
            9   C8x C     3.7405  -12.5103
            10  C8y C     3.0278  -12.0947
            11  O2a O     3.0250  -11.2667
            12  C1b C     3.7375  -10.8500
            13  C2b C     4.4542  -11.2625
            14  C2c C     5.1708  -10.8458
            15  C1b C     5.8875  -11.2583
            16  C1b C     6.6042  -10.8417
            17  C1c C     7.3208  -11.2542
            18  C1d C     8.0375  -10.8375
            19  C1a C     8.7500  -11.2500
            20  O5x O     4.4500  -13.7542
            21  C1a C     5.1667  -10.0167
            22  O1a O     7.3167  -12.0833
            23  C1a C     8.0333  -10.0083
            24  O1a O     8.7500  -10.4208
BOND        25
            1     1   2 1
            2    11  12 1
            3     2   3 2
            4    12  13 1
            5     3   6 1
            6    13  14 2
            7     5   4 1
            8    14  15 1
            9     4   1 2
            10   15  16 1
            11    5   6 2
            12   16  17 1
            13    6   7 1
            14   17  18 1
            15    7   8 1
            16   18  19 1
            17    8   9 1
            18    8  20 2
            19    9  10 2
            20   14  21 1
            21   10   5 1
            22   17  22 1 #Either
            23   18  23 1
            24   10  11 1
            25   18  24 1


entry: C10650
name: --- - Licarin A - (+)(-)-trans-Dehydrodiisoeugenol
formula: C20H22O4
kcf:
ATOM        24
            1   C8y C     3.1250  -11.5458
            2   C8x C     3.1250  -12.3708
            3   C8y C     3.8412  -12.7875
            4   C8x C     3.8412  -11.1375
            5   C8y C     4.5573  -11.5458
            6   C8y C     4.5539  -12.3728
            7   O2x O     5.3353  -12.6317
            8   C1y C     5.8240  -11.9689
            9   C1y C     5.3408  -11.2936
            10  C8y C     6.6490  -11.9723
            11  C8x C     7.0589  -12.6846
            12  C8y C     7.8839  -12.6881
            13  C8y C     8.2952  -11.9795
            14  C8x C     7.8898  -11.2592
            15  C8x C     7.0648  -11.2557
            16  O2a O     3.8422  -13.6125
            17  C2b C     2.4107  -11.1372
            18  C2b C     1.6961  -11.5451
            19  C1a C     0.9860  -11.1364
            20  C1a C     4.5614  -14.0199
            21  C1a C     6.0115  -10.6683
            22  O1a O     9.1202  -11.9829
            23  O2a O     8.2893  -13.4084
            24  C1a C     9.1143  -13.4118
BOND        26
            1     5   4 1
            2    10  11 2
            3    11  12 1
            4    12  13 2
            5    13  14 1
            6    14  15 2
            7    15  10 1
            8     5   6 2
            9     3  16 1
            10    6   7 1
            11    1  17 1
            12    7   8 1
            13   17  18 2
            14    8   9 1
            15   18  19 1
            16    9   5 1
            17   16  20 1
            18    4   1 2
            19    8  10 1 #Up
            20    9  21 1 #Down
            21    1   2 1
            22   13  22 1
            23    2   3 2
            24   12  23 1
            25    3   6 1
            26   23  24 1


entry: C10651
name: --- - Magnolol
formula: C18H18O2
comment: Magnolol: major constituent of Magnolia bark
kcf:
ATOM        20
            1   C8x C    19.4971  -13.4809
            2   C8y C    18.2817  -14.1807
            3   C8y C    18.2851  -15.5845
            4   C8x C    19.4907  -16.2800
            5   C8y C    20.7059  -15.5801
            6   C8x C    20.7155  -14.1850
            7   O1a O    17.0701  -13.4761
            8   C1b C    21.9226  -16.2827
            9   C8y C    17.0708  -16.2860
            10  C8y C    15.8598  -15.5887
            11  C8x C    14.6455  -16.2901
            12  C8x C    14.6492  -17.6917
            13  C8y C    15.8576  -18.3892
            14  C8x C    17.0721  -17.6876
            15  O1a O    15.8627  -14.1839
            16  C1b C    15.8613  -19.7906
            17  C2b C    23.1324  -15.5872
            18  C2a C    24.3394  -16.2872
            19  C2b C    14.6531  -20.4882
            20  C2a C    14.6532  -21.8835
BOND        21
            1     2   7 1
            2     2   3 1
            3     9  10 2
            4    10  11 1
            5    11  12 2
            6    12  13 1
            7    13  14 2
            8    14   9 1
            9     5   8 1
            10   10  15 1
            11    3   4 2
            12   13  16 1
            13    4   5 1
            14    5   6 2
            15    8  17 1
            16    6   1 1
            17   17  18 2
            18    3   9 1
            19   16  19 1
            20    1   2 2
            21   19  20 2


entry: C10652
name: --- - Bucharidine
formula: C19H25NO4
kcf:
ATOM        24
            1   C8x C     1.6625  -11.7375
            2   C8x C     1.6625  -12.5667
            3   C8x C     2.3829  -12.9833
            4   C8x C     2.3829  -11.3250
            5   C8y C     3.0990  -11.7375
            6   C8y C     3.0955  -12.5667
            7   N4x N     3.8082  -12.9864
            8   C8y C     4.5286  -12.5728
            9   C8y C     4.5321  -11.7436
            10  C8y C     3.8153  -11.3281
            11  C1c C     5.2458  -11.3333
            12  C1z C     5.9625  -11.7458
            13  O2x O     5.9615  -12.5733
            14  C1z C     6.6782  -12.9900
            15  C1y C     7.3958  -12.5792
            16  C1x C     7.3968  -11.7475
            17  C1x C     6.6802  -11.3350
            18  O1a O     3.8083  -10.4958
            19  O5x O     5.2417  -12.9875
            20  C1a C     5.2417  -10.5042
            21  C1a C     6.0833  -13.5750
            22  C1a C     7.2625  -13.5750
            23  O1a O     8.1083  -12.9917
            24  C1a C     5.9583  -10.9167
BOND        26
            1     1   2 1
            2    11  12 1
            3     2   3 2
            4     3   6 1
            5     5   4 1
            6     4   1 2
            7     5   6 2
            8    12  13 1
            9    13  14 1
            10   14  15 1
            11   15  16 1
            12   16  17 1
            13   17  12 1
            14    6   7 1
            15   10  18 1
            16    7   8 1
            17    8  19 2
            18    8   9 1
            19   11  20 1 #Either
            20    9  10 2
            21   14  21 1
            22   10   5 1
            23   14  22 1
            24   15  23 1 #Either
            25    9  11 1
            26   12  24 1 #Either


entry: C10653
name: --- - Buntanine
formula: C20H21NO5
kcf:
ATOM        26
            1   C8x C     1.7667  -11.4167
            2   C8y C     1.7667  -12.2458
            3   C8y C     2.4870  -12.6625
            4   C8x C     2.4870  -11.0042
            5   C8y C     3.2032  -11.4167
            6   C8y C     3.1997  -12.2458
            7   N4y N     3.9165  -12.6655
            8   C8y C     3.9236  -11.0072
            9   C8y C     4.6363  -11.4228
            10  C8y C     4.6288  -12.2498
            11  C8x C     5.3419  -12.6718
            12  C8y C     6.0624  -12.2627
            13  C8y C     6.0698  -11.4357
            14  C8y C     5.3568  -11.0178
            15  C1b C     6.7875  -11.0292
            16  C2b C     7.5000  -11.4458
            17  C2c C     8.2208  -11.0417
            18  C1a C     8.9333  -11.4583
            19  O1a O     1.0458  -12.6583
            20  O2a O     2.4833  -13.4875
            21  C1a C     3.2000  -13.9000
            22  C1a C     3.9083  -13.4917
            23  O5x O     3.9167  -10.1750
            24  O1a O     5.3500  -10.1875
            25  O1a O     6.7750  -12.6792
            26  C1a C     8.2167  -10.2125
BOND        28
            1    10  11 1
            2    11  12 2
            3    12  13 1
            4    13  14 2
            5    14   9 1
            6     5   6 2
            7    13  15 1
            8     6   7 1
            9    15  16 1
            10    7  10 1
            11   16  17 2
            12    9   8 1
            13   17  18 1
            14    8   5 1
            15    2  19 1
            16    5   4 1
            17    3  20 1
            18    4   1 2
            19   20  21 1
            20    7  22 1
            21    1   2 1
            22    8  23 2
            23    2   3 2
            24   14  24 1
            25    3   6 1
            26   12  25 1
            27    9  10 2
            28   17  26 1


entry: C10654
name: --- - Casimiroin
formula: C12H11NO4
kcf:
ATOM        17
            1   C8x C     7.1049   -3.2646
            2   C8x C     7.8213   -2.8452
            3   C8y C     8.5442   -4.0871
            4   C8y C     8.5353   -3.2565
            5   C8y C     9.2518   -2.8362
            6   C8x C     9.9735   -3.2445
            7   C8y C     9.9787   -4.0730
            8   N4y N     9.2658   -4.4954
            9   C8y C     7.1097   -4.0965
            10  C8y C     7.8280   -4.5058
            11  O2x O     7.6631   -5.3173
            12  C1x C     6.8419   -5.4056
            13  O2x O     6.4994   -4.6540
            14  C1a C     9.2642   -5.3263
            15  O5x O    10.6963   -4.4921
            16  O2a O     9.2500   -2.0103
            17  C1a C     9.9687   -1.5971
BOND        19
            1     7   8 1
            2     8   3 1
            3     9   1 1
            4     1   2 2
            5     2   4 1
            6     3  10 1
            7     9  10 2
            8    10  11 1
            9    11  12 1
            10   12  13 1
            11   13   9 1
            12    3   4 2
            13    8  14 1
            14    4   5 1
            15    7  15 2
            16    5   6 2
            17    5  16 1
            18    6   7 1
            19   16  17 1


entry: C10655
name: --- - Cusparine
formula: C19H17NO3
kcf:
ATOM        23
            1   C8y C    15.3167  -15.0042
            2   N5x N    14.6000  -15.4167
            3   C8y C    14.5980  -13.7618
            4   C8x C    15.3157  -14.1767
            5   C8x C    18.1755  -16.6542
            6   C8x C    17.4593  -16.2375
            7   C8y C    17.4593  -15.4084
            8   C8x C    18.1755  -14.9959
            9   C8y C    18.8958  -16.2375
            10  C8y C    18.8934  -15.4067
            11  O2x O    19.6830  -15.1489
            12  C1x C    20.1750  -15.8204
            13  O2x O    19.6870  -16.4907
            14  C1b C    16.7500  -15.0000
            15  C1b C    16.0333  -15.4125
            16  C8y C    13.8814  -14.1784
            17  C8y C    13.8834  -15.0040
            18  C8x C    13.1689  -15.4165
            19  C8x C    12.4523  -15.0076
            20  C8x C    12.4503  -14.1820
            21  C8x C    13.1648  -13.7654
            22  O2a O    14.6000  -12.9334
            23  C1a C    13.8833  -12.5209
BOND        26
            1     2  17 1
            2     9  10 1
            3    10  11 1
            4    11  12 1
            5    12  13 1
            6    13   9 1
            7    16   3 1
            8     7  14 1
            9     9   5 2
            10   14  15 1
            11   15   1 1
            12    5   6 1
            13    6   7 2
            14    7   8 1
            15    8  10 2
            16    3   4 2
            17    4   1 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  16 1
            24    3  22 1
            25    1   2 2
            26   22  23 1


entry: C10656
name: --- - Deoxypeganine - 3-Deoxyvasicine
formula: C11H12N2
kcf:
ATOM        13
            1   N2x N    10.0880   -7.1167
            2   C1x C    10.0880   -5.4667
            3   C8y C     9.3760   -5.8792
            4   C8y C     9.3795   -6.7042
            5   C8x C     8.6668   -7.1197
            6   C8x C     7.9506   -6.7103
            7   C8x C     7.9470   -5.8853
            8   C8x C     8.6597   -5.4697
            9   C2y C    10.8042   -6.7042
            10  N1y N    10.8017   -5.8775
            11  C1x C    11.5872   -5.6197
            12  C1x C    12.0750   -6.2871
            13  C1x C    11.5911   -6.9573
BOND        15
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   3 1
            7     9   1 2
            8     1   4 1
            9     3   2 1
            10    2  10 1
            11    9  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13   9 1


entry: C10657
name: --- - Magnosalicin
formula: C24H32O7
kcf:
ATOM        31
            1   O2x O    10.0265   -4.7244
            2   C1y C    10.7003   -5.2058
            3   C1y C    10.4428   -5.9942
            4   C1y C     9.6137   -5.9915
            5   C1y C     9.3591   -5.2066
            6   C1a C     8.5377   -5.2230
            7   C1a C    10.9169   -6.6620
            8   C8y C     8.3967   -8.1394
            9   C8y C     7.9885   -7.4243
            10  C8x C     8.4019   -6.7087
            11  C8y C     9.2263   -6.7140
            12  C8y C     9.6387   -7.4291
            13  C8x C     9.2226   -8.1390
            14  O2a O    10.4668   -7.4268
            15  O2a O     7.9866   -8.8529
            16  O2a O     7.1656   -7.4178
            17  C1a C    10.8757   -8.1416
            18  C1a C     7.1621   -8.8530
            19  C1a C     6.7490   -8.1324
            20  C8x C    11.9319   -5.9224
            21  C8y C    11.5236   -5.2072
            22  C8y C    11.9372   -4.4917
            23  C8x C    12.7651   -4.4948
            24  C8y C    13.1775   -5.2100
            25  C8y C    12.7578   -5.9219
            26  O2a O    13.1711   -6.6366
            27  O2a O    13.9983   -5.2118
            28  C1a C    14.0012   -6.6375
            29  O2a O    11.5298   -3.7760
            30  C1a C    11.9483   -3.0633
            31  C1a C    14.4051   -5.9230
BOND        33
            1     9  10 1
            2    10  11 2
            3    11  12 1
            4    12  13 2
            5    13   8 1
            6    14  17 1
            7    15  18 1
            8    16  19 1
            9     4  11 1 #Down
            10    2   3 1
            11    3   4 1
            12    4   5 1
            13    5   1 1
            14    5   6 1 #Down
            15    3   7 1 #Up
            16    1   2 1
            17   12  14 1
            18    8  15 1
            19    8   9 2
            20   23  24 1
            21   24  25 2
            22   25  26 1
            23   24  27 1
            24   26  28 1
            25   22  29 1
            26   25  20 1
            27   20  21 2
            28   21  22 1
            29   22  23 2
            30   29  30 1
            31    2  21 1 #Down
            32    9  16 1
            33   27  31 1


entry: C10658
name: --- - Magnoshinin
formula: C24H30O6
kcf:
ATOM        30
            1   C1y C     5.7832  -11.7488
            2   C8y C     5.0593  -13.8238
            3   C8y C     5.7797  -14.2405
            4   C8x C     6.4958  -13.8238
            5   C8y C     6.4958  -12.9947
            6   C8y C     5.7797  -12.5822
            7   C8x C     3.6333  -10.5041
            8   C8y C     3.6333  -11.3333
            9   C8y C     4.3537  -11.7458
            10  C8y C     4.3537  -10.0875
            11  C8y C     5.0698  -10.5041
            12  C8y C     5.0663  -11.3333
            13  C1y C     6.5036  -11.3394
            14  C2y C     6.5071  -10.5102
            15  C2x C     5.7902  -10.0905
            16  O2a O     7.2148  -12.5827
            17  O2a O     5.7807  -15.0697
            18  O2a O     4.3409  -14.2409
            19  C1a C     7.2275  -10.0966
            20  O2a O     4.3547   -9.2583
            21  O2a O     4.3556  -12.5750
            22  O2a O     2.9149  -11.7462
            23  C1a C     5.0739   -8.8467
            24  C1a C     2.2002  -11.3340
            25  C8x C     5.0752  -12.9900
            26  C1a C     3.6379  -12.9933
            27  C1a C     7.2424  -11.5527
            28  C1a C     7.9289  -12.9957
            29  C1a C     5.0626  -15.4831
            30  C1a C     3.6220  -13.8246
BOND        32
            1    13  14 1
            2    14  15 2
            3    15  11 1
            4     1   6 1 #Up
            5     5  16 1
            6    25   2 1
            7     3  17 1
            8     2   3 2
            9     2  18 1
            10    7   8 1
            11   14  19 1
            12    8   9 2
            13   10  20 1
            14    9  12 1
            15    9  21 1
            16   11  10 1
            17    8  22 1
            18   10   7 2
            19   20  23 1
            20    3   4 1
            21   22  24 1
            22    4   5 2
            23    5   6 1
            24   21  26 1
            25    6  25 2
            26   13  27 1 #Down
            27   11  12 2
            28   16  28 1
            29   12   1 1
            30   17  29 1
            31    1  13 1
            32   18  30 1


entry: C10659
name: --- - Deoxyvasicinone - 2,3-Trimethylene-4-quinazolone
formula: C11H10N2O
kcf:
ATOM        14
            1   N5x N    16.3880  -14.9292
            2   C8y C    16.3880  -13.2792
            3   C8y C    15.6760  -13.6917
            4   C8y C    15.6795  -14.5167
            5   C8x C    14.9668  -14.9322
            6   C8x C    14.2506  -14.5228
            7   C8x C    14.2470  -13.6978
            8   C8x C    14.9597  -13.2823
            9   C8y C    17.1042  -14.5167
            10  N4y N    17.1017  -13.6900
            11  C1x C    17.8872  -13.4322
            12  C1x C    18.3750  -14.0996
            13  C1x C    17.8911  -14.7698
            14  O5x O    16.3958  -12.4542
BOND        16
            1     4   5 1
            2     5   6 2
            3     6   7 1
            4     7   8 2
            5     8   3 1
            6     9   1 2
            7     1   4 1
            8     3   2 1
            9     2  10 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13   9 1
            15    3   4 2
            16    2  14 2


entry: C10660
name: --- - Dictamnine
formula: C12H9NO2
kcf:
ATOM        15
            1   N5x N    16.3880  -16.6791
            2   C8y C    16.3880  -15.0291
            3   C8y C    15.6760  -15.4416
            4   C8y C    15.6795  -16.2666
            5   C8x C    14.9668  -16.6822
            6   C8x C    14.2506  -16.2727
            7   C8x C    14.2470  -15.4477
            8   C8x C    14.9597  -15.0322
            9   C8y C    17.1042  -16.2666
            10  C8y C    17.1017  -15.4400
            11  C8x C    17.8872  -15.1821
            12  C8x C    18.3750  -15.8495
            13  O2x O    17.8911  -16.5198
            14  O2a O    16.3958  -14.2041
            15  C1a C    15.6833  -13.7875
BOND        17
            1     5   6 2
            2     6   7 1
            3     7   8 2
            4     8   3 1
            5     9   1 2
            6     1   4 1
            7     3   2 1
            8     2  10 2
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13   9 1
            14    3   4 2
            15    2  14 1
            16    4   5 1
            17   14  15 1


entry: C10661
name: --- - Dubamine
formula: C16H11NO2
kcf:
ATOM        19
            1   C8x C    17.4630  -16.4542
            2   C8x C    16.7510  -16.0375
            3   C8y C    16.7510  -15.2084
            4   C8x C    17.4630  -14.7959
            5   C8y C    18.1833  -16.0375
            6   C8y C    18.1795  -15.2110
            7   O2x O    18.9646  -14.9533
            8   C1x C    19.4551  -15.6205
            9   O2x O    18.9707  -16.2922
            10  C8y C    16.0332  -14.7974
            11  N5x N    15.3149  -15.2104
            12  C8x C    15.3137  -13.5521
            13  C8x C    16.0326  -13.9682
            14  C8y C    14.5954  -13.9693
            15  C8y C    14.6004  -14.7956
            16  C8x C    13.8867  -15.2110
            17  C8x C    13.1680  -14.8043
            18  C8x C    13.1630  -13.9779
            19  C8x C    13.8767  -13.5583
BOND        22
            1     9   5 1
            2     4   6 2
            3     5   1 2
            4     1   2 1
            5    10  11 2
            6    11  15 1
            7    14  12 1
            8    12  13 2
            9    13  10 1
            10    3  10 1
            11    2   3 2
            12    3   4 1
            13    5   6 1
            14    6   7 1
            15    7   8 1
            16    8   9 1
            17   14  15 2
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   19  14 1


entry: C10662
name: --- - Dubinidine
formula: C15H17NO4
kcf:
ATOM        20
            1   N5x N    15.7630  -20.8708
            2   C8y C    15.7630  -19.2125
            3   C8y C    15.0468  -19.6250
            4   C8y C    15.0503  -20.4542
            5   C8x C    14.3335  -20.8739
            6   C8x C    13.6131  -20.4603
            7   C8x C    13.6095  -19.6311
            8   C8x C    14.3264  -19.2156
            9   C8y C    16.4833  -20.4542
            10  C8y C    16.4838  -19.6291
            11  C1x C    17.2689  -19.3758
            12  C1y C    17.7509  -20.0445
            13  O2x O    17.2681  -20.7125
            14  O2a O    15.7667  -18.3875
            15  C1a C    15.0500  -17.9667
            16  C1d C    18.5833  -20.0375
            17  O1a O    19.4125  -20.0375
            18  C1b C    19.0042  -20.7542
            19  C1a C    19.0042  -19.3167
            20  O1a O    19.8291  -20.7481
BOND        22
            1     9  10 1
            2    10  11 1
            3    11  12 1
            4    12  13 1
            5    13   9 1
            6     4   5 1
            7     2  14 1
            8     5   6 2
            9     6   7 1
            10    2  10 2
            11    7   8 2
            12    8   3 1
            13   14  15 1
            14    1   4 1
            15   12  16 1
            16    3   2 1
            17   16  17 1 #Either
            18   16  18 1
            19    9   1 2
            20   16  19 1
            21    3   4 2
            22   18  20 1


entry: C10663
name: --- - Echinopsine
formula: C10H9NO
kcf:
ATOM        12
            1   C8x C     3.6250  -11.6208
            2   C8x C     3.6250  -12.4500
            3   C8x C     4.3454  -12.8667
            4   C8x C     4.3454  -11.2083
            5   C8y C     5.0615  -11.6208
            6   C8y C     5.0580  -12.4500
            7   N4y N     5.7749  -12.8697
            8   C8x C     6.4953  -12.4561
            9   C8x C     6.4988  -11.6269
            10  C8y C     5.7819  -11.2114
            11  O5x O     5.7750  -10.3792
            12  C1a C     5.7667  -13.6958
BOND        13
            1     2   3 2
            2     3   6 1
            3     5   4 1
            4     4   1 2
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10   5 1
            11   10  11 2
            12    1   2 1
            13    7  12 1


entry: C10664
name: --- - Acetosyringone
formula: C10H12O4
kcf:
ATOM        14
            1   C8x C     4.3458  -11.8958
            2   C8y C     4.3458  -12.7250
            3   C8y C     5.0662  -13.1375
            4   C8y C     5.7824  -12.7250
            5   C8x C     5.7824  -11.8958
            6   C8y C     5.0662  -11.4792
            7   O1a O     5.0672  -13.9667
            8   O2a O     6.5013  -13.1370
            9   O2a O     3.6274  -13.1379
            10  C5a C     5.0672  -10.6500
            11  C1a C     5.7864  -10.2384
            12  O5a O     4.3491  -10.2366
            13  C1a C     7.2196  -12.7239
            14  C1a C     2.9086  -12.7257
BOND        14
            1     3   7 1
            2     1   2 1
            3     4   8 1
            4     2   3 2
            5     2   9 1
            6     3   4 1
            7     6  10 1
            8     4   5 2
            9    10  11 1
            10    5   6 1
            11   10  12 2
            12    6   1 2
            13    8  13 1
            14    9  14 1


entry: C10665
name: --- - Echinorine - Quinolinium, 4-methoxy-1-methyl-
formula: C11H12NO
kcf:
ATOM        13
            1   C8x C    10.9542   -7.4583
            2   C8x C    10.9542   -8.2875
            3   C8x C    11.6745   -8.7000
            4   C8x C    11.6745   -7.0417
            5   C8y C    12.3907   -7.4583
            6   C8y C    12.3872   -8.2875
            7   N5y N    13.1040   -8.7030 #+
            8   C8x C    13.8203   -8.2936
            9   C8x C    13.8238   -7.4644
            10  C8y C    13.1111   -7.0447
            11  O2a O    13.1042   -6.2125
            12  C1a C    13.0958   -9.5292
            13  C1a C    12.3863   -5.8059
BOND        14
            1     3   6 1
            2     5   4 1
            3     4   1 2
            4     5   6 2
            5     6   7 1
            6     7   8 2
            7     8   9 1
            8     9  10 2
            9    10   5 1
            10   10  11 1
            11    1   2 1
            12    7  12 1
            13    2   3 2
            14   11  13 1


entry: C10666
name: --- - Evoprenine
formula: C20H21NO4
kcf:
ATOM        25
            1   C8x C     0.8750  -11.6208
            2   C8x C     0.8750  -12.4500
            3   C8x C     1.5954  -12.8667
            4   C8x C     1.5954  -11.2083
            5   C8y C     2.3115  -11.6208
            6   C8y C     2.3080  -12.4500
            7   N4y N     3.0249  -12.8697
            8   C8y C     3.0319  -11.2114
            9   C8y C     3.7446  -11.6269
            10  C8y C     3.7372  -12.4539
            11  C8x C     4.4502  -12.8760
            12  C8y C     5.1707  -12.4668
            13  C8y C     5.1782  -11.6398
            14  C8y C     4.4651  -11.2220
            15  O2a O     5.8833  -12.8833
            16  C1b C     6.6000  -12.4667
            17  C2b C     7.3167  -12.8833
            18  C2c C     8.0333  -12.4667
            19  C1a C     8.7458  -12.8833
            20  C1a C     3.0167  -13.6958
            21  O5x O     3.0250  -10.3792
            22  O1a O     4.4583  -10.3917
            23  C1a C     8.0292  -11.6375
            24  O2a O     5.8917  -11.2250
            25  C1a C     6.6083  -11.6375
BOND        27
            1     9  10 2
            2    10  11 1
            3    11  12 2
            4    12  13 1
            5    13  14 2
            6    14   9 1
            7     5   6 2
            8    12  15 1
            9     6   7 1
            10   15  16 1
            11    7  10 1
            12   16  17 1
            13    9   8 1
            14   17  18 2
            15    8   5 1
            16   18  19 1
            17    5   4 1
            18    7  20 1
            19    4   1 2
            20    8  21 2
            21   14  22 1
            22    1   2 1
            23   18  23 1
            24    2   3 2
            25   13  24 1
            26    3   6 1
            27   24  25 1


entry: C10667
name: --- - 3-Acetyl-6-methoxybenzaldehyde
formula: C10H10O3
kcf:
ATOM        13
            1   C8x C     3.8667  -11.6250
            2   C8x C     3.8667  -12.4542
            3   C8y C     4.5829  -12.8708
            4   C8y C     5.2990  -12.4542
            5   C8x C     5.2990  -11.6250
            6   C8y C     4.5829  -11.2125
            7   C5a C     4.5839  -10.3833
            8   C1a C     5.3031   -9.9676
            9   O5a O     3.8699   -9.9658
            10  O2a O     4.5839  -13.7000
            11  C4a C     6.0180  -12.8703
            12  O4a O     6.7363  -12.4531
            13  C1a C     3.8699  -14.1134
BOND        13
            1     6   7 1
            2     1   2 2
            3     7   8 1
            4     2   3 1
            5     7   9 2
            6     3   4 2
            7     3  10 1
            8     4   5 1
            9     4  11 1
            10    5   6 2
            11    6   1 1
            12   11  12 2
            13   10  13 1


entry: C10668
name: --- - Evoxanthidine
formula: C15H11NO4
kcf:
ATOM        20
            1   C8x C    11.5963   -6.6167
            2   C8y C    11.5963   -4.9583
            3   C8y C    10.8802   -5.3750
            4   C8y C    10.8837   -6.2042
            5   N4x N    10.1668   -6.6197
            6   C8y C    10.1598   -4.9614
            7   C8y C     9.4429   -5.3811
            8   C8y C     9.4504   -6.2081
            9   C8x C     8.7373   -6.6260
            10  C8x C     8.0210   -6.2210
            11  C8x C     8.0135   -5.3940
            12  C8x C     8.7224   -4.9720
            13  C8y C    12.3167   -6.2042
            14  C8y C    12.3186   -5.3747
            15  O2x O    13.1083   -5.1215
            16  C1x C    13.5917   -5.7903
            17  O2x O    13.1051   -6.4610
            18  O5x O    10.1667   -4.1292
            19  O2a O    11.6000   -4.1333
            20  C1a C    10.8834   -3.7208
BOND        23
            1     3   2 1
            2     3   4 2
            3     7   8 2
            4     8   9 1
            5     9  10 2
            6    10  11 1
            7    11  12 2
            8    12   7 1
            9     4   5 1
            10    5   8 1
            11    7   6 1
            12    6   3 1
            13    2  14 2
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  13 1
            19    6  18 2
            20   13   1 2
            21    2  19 1
            22    1   4 1
            23   19  20 1


entry: C10669
name: --- - Agrimol C
formula: C36H44O12
kcf:
ATOM        48
            1   C8y C     7.8667  -10.9292
            2   C8y C     7.8667  -11.7375
            3   C8y C     8.5704  -12.1458
            4   C8y C     9.2657  -11.7375
            5   C8y C     9.2657  -10.9292
            6   C8y C     8.5704  -10.5250
            7   O1a O     8.5714  -12.9542
            8   C1a C     8.5714   -9.7167
            9   O1a O     7.1649  -10.5246
            10  O2a O     9.9680  -10.5255
            11  C5a C     9.9680  -12.1453
            12  C1a C    10.6655  -10.9302
            13  C1b C     6.9066  -12.2670
            14  C1b C    10.6655  -11.7406
            15  C1b C    11.3678  -12.1442
            16  C1a C    12.0694  -11.7395
            17  O5a O     9.9686  -12.9536
            18  C1b C     3.4640  -12.2543
            19  C8y C     4.4443  -11.6902
            20  C8y C     5.1240  -12.0874
            21  C8y C     4.4408  -10.9002
            22  C8y C     5.8163  -11.6867
            23  O1a O     5.1240  -12.8775
            24  C8y C     5.1206  -10.5030
            25  O1a O     3.7528  -10.5030
            26  C8y C     5.8128  -10.8968
            27  C5a C     5.1206   -9.7129
            28  O1a O     6.5001  -10.5038
            29  O5a O     4.4374   -9.3123
            30  C8y C     2.4883  -11.6902
            31  C8y C     2.4883  -10.8968
            32  C8y C     1.8002  -12.0908
            33  C8y C     1.8002  -10.5030
            34  C8y C     1.1196  -11.6902
            35  O1a O     1.8037  -12.8809
            36  C8y C     1.1196  -10.8968
            37  C1a C     1.8037   -9.7095
            38  O2a O     0.4281  -10.5038
            39  O1a O     3.1728  -10.5037
            40  C1b C     5.8236   -9.3106
            41  C5a C     0.4163  -12.0919
            42  C1a C     0.4236   -9.6913
            43  C1b C    -0.2801  -11.6853
            44  O5a O     0.4134  -12.9003
            45  C1b C    -0.9835  -12.0870
            46  C1a C    -1.6841  -11.6804
            47  C1b C     5.8257   -8.5022
            48  C1a C     6.5288   -8.0999
BOND        50
            1    14  15 1
            2     1   2 2
            3    15  16 1
            4     6   8 1
            5    11  17 2
            6     2   3 1
            7     1   9 1
            8     3   4 2
            9     5  10 1
            10   19  18 1
            11   19  20 1
            12   19  21 2
            13   20  22 2
            14   20  23 1
            15   21  24 1
            16   21  25 1
            17   22  26 1
            18   22  13 1
            19   24  27 1
            20   26  28 1
            21   30  31 1
            22   30  32 2
            23   31  33 2
            24   32  34 1
            25   32  35 1
            26   33  36 1
            27   33  37 1
            28   36  38 1
            29   34  36 2
            30   27  29 2
            31   31  39 1
            32   30  18 1
            33   24  26 2
            34    4   5 1
            35   27  40 1
            36    4  11 1
            37   34  41 1
            38    5   6 2
            39   38  42 1
            40   10  12 1
            41   41  43 1
            42    6   1 1
            43   41  44 2
            44    2  13 1
            45   43  45 1
            46   45  46 1
            47   11  14 1
            48   40  47 1
            49    3   7 1
            50   47  48 1


entry: C10670
name: --- - Evoxine - 2,3-Butanediol, 1-((4,8-dimethoxyfuro(2,3-b)quinolin-7-yl)oxy)-3-methyl-, (+)-
formula: C18H21NO6
kcf:
ATOM        25
            1   N5x N    14.9296   -7.7500
            2   C8y C    14.9296   -6.0917
            3   C8y C    14.2135   -6.5042
            4   C8y C    14.2170   -7.3334
            5   C8y C    13.5001   -7.7531
            6   C8y C    12.7797   -7.3395
            7   C8x C    12.7762   -6.5103
            8   C8x C    13.4931   -6.0948
            9   C8y C    15.6458   -7.3334
            10  C8y C    15.6434   -6.5025
            11  C8x C    16.4330   -6.2447
            12  C8x C    16.9250   -6.9163
            13  O2x O    16.4370   -7.5907
            14  O2a O    12.0667   -7.7542
            15  C1b C    11.3500   -7.3375
            16  C1c C    10.6333   -7.7542
            17  C1d C     9.9167   -7.3375
            18  C1a C     9.2042   -7.7542
            19  O2a O    13.5042   -8.5750
            20  C1a C    14.2208   -8.9834
            21  O2a O    14.9333   -5.2667
            22  C1a C    14.2167   -4.8500
            23  O1a O    10.6375   -8.5834
            24  C1a C     9.9208   -6.5084
            25  O1a O     9.2042   -6.9209
BOND        27
            1    10  11 1
            2    11  12 2
            3    12  13 1
            4    13   9 1
            5     3   4 2
            6     6  14 1
            7     4   5 1
            8    14  15 1
            9     5   6 2
            10   15  16 1
            11    6   7 1
            12   16  17 1
            13    7   8 2
            14   17  18 1
            15    8   3 1
            16    5  19 1
            17    9   1 2
            18   19  20 1
            19    1   4 1
            20    2  21 1
            21    3   2 1
            22   21  22 1
            23    2  10 2
            24   16  23 1 #Either
            25   17  24 1
            26    9  10 1
            27   17  25 1


entry: C10671
name: --- - Agrimophol
formula: C26H34O8
kcf:
ATOM        34
            1   C2y C    10.5542    0.1500
            2   C1z C    10.5542   -0.6499
            3   C5x C     9.8546   -1.0458
            4   C2y C     9.1635   -0.6499
            5   C2y C     9.1635    0.1500
            6   C2y C     9.8546    0.5542
            7   O1a O    11.2434    0.5546
            8   O1a O     8.4695    0.5537
            9   C1a C     9.8536    1.3542
            10  O5x O     9.8536   -1.8500
            11  C5a C     8.4750   -1.0416
            12  C1c C     7.7833   -0.6458
            13  C1b C     7.0917   -1.0416
            14  C1a C     6.4042   -0.6416
            15  O5a O     8.4740   -1.8458
            16  C1a C     7.7851    0.1542
            17  C1a C    10.5583   -1.4500
            18  C1b C    11.6333   -1.1416
            19  C8y C    14.0875    0.1626
            20  C8y C    14.0875   -0.6375
            21  C8y C    13.3921   -1.0333
            22  C8y C    12.7010   -0.6375
            23  C8y C    12.7010    0.1626
            24  C8y C    13.3921    0.5667
            25  C5a C    13.3911    1.3667
            26  O5a O    12.6970    1.7658
            27  O2a O    14.7810    0.5670
            28  C1a C    14.7810   -1.0337
            29  O1a O    13.3911   -1.8375
            30  O1a O    12.0070    0.5661
            31  C1a C    15.5006    0.1522
            32  C1b C    14.1042    1.7833
            33  C1b C    14.8208    1.3750
            34  C1a C    15.5375    1.7875
BOND        35
            1     2  18 1 #Down
            2     6   9 1
            3     3   4 1
            4     3  10 2
            5     4   5 2
            6     4  11 1
            7     5   6 1
            8    19  20 2
            9    20  21 1
            10   21  22 2
            11   22  23 1
            12   23  24 2
            13   24  19 1
            14   11  12 1
            15   24  25 1
            16    6   1 2
            17   25  26 2
            18   12  13 1
            19   13  14 1
            20    1   7 1
            21   19  27 1
            22   11  15 2
            23    1   2 1
            24   20  28 1
            25   12  16 1 #Up
            26   21  29 1
            27    5   8 1
            28   23  30 1
            29   18  22 1
            30   27  31 1
            31   25  32 1
            32    2  17 1 #Up
            33   32  33 1
            34    2   3 1
            35   33  34 1


entry: C10672
name: --- - Aspidin
formula: C25H32O8
kcf:
ATOM        33
            1   C2y C    14.0750   -5.4917
            2   C2y C    14.0750   -6.2958
            3   C5x C    13.3796   -6.6958
            4   C2y C    12.6884   -6.2958
            5   C2y C    12.6884   -5.4917
            6   C1z C    13.3796   -5.0916
            7   C8y C    17.5750   -5.5291
            8   C8y C    17.5750   -6.3292
            9   C8y C    16.8755   -6.7291
            10  C8y C    16.1843   -6.3292
            11  C8y C    16.1843   -5.5291
            12  C8y C    16.8755   -5.1292
            13  C1b C    15.1250   -6.8708
            14  O1a O    16.8745   -7.5334
            15  C1a C    18.2643   -6.7295
            16  O2a O    18.2643   -5.1288
            17  C1a C    18.9581   -5.5284
            18  C5a C    16.8745   -4.3250
            19  O1a O    15.4862   -5.1297
            20  O1a O    14.7685   -5.0913
            21  O5a O    16.1802   -3.9259
            22  O5x O    13.3786   -7.4958
            23  O1a O    11.9945   -5.0922
            24  C1a C    13.9541   -4.5250
            25  C1a C    12.9833   -4.4000
            26  C5a C    12.0000   -6.6917
            27  C1b C    11.3042   -6.2916
            28  C1b C    10.6167   -6.6875
            29  C1a C     9.9250   -6.2875
            30  O5a O    11.9990   -7.4916
            31  C1b C    17.5917   -3.9083
            32  C1b C    18.3083   -4.3208
            33  C1a C    19.0292   -3.9042
BOND        34
            1    16  17 1
            2     4   5 2
            3    12  18 1
            4     5   6 1
            5    11  19 1
            6     7   8 2
            7     1  20 1
            8     8   9 1
            9    18  21 2
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12   7 1
            14    3  22 2
            15    6   1 1
            16    5  23 1
            17   13  10 1
            18    6  24 1
            19    2  13 1
            20    6  25 1
            21    4  26 1
            22    9  14 1
            23   26  27 1
            24    1   2 2
            25   27  28 1
            26    8  15 1
            27   28  29 1
            28    2   3 1
            29   26  30 2
            30   18  31 1
            31    7  16 1
            32   31  32 1
            33    3   4 1
            34   32  33 1


entry: C10673
name: --- - Aspidinol
formula: C12H16O4
kcf:
ATOM        16
            1   C8y C    12.9125   -6.8583
            2   C8x C    12.9125   -7.6875
            3   C8y C    13.6329   -8.1042
            4   C8y C    14.3491   -7.6875
            5   C8y C    14.3491   -6.8583
            6   C8y C    13.6329   -6.4458
            7   O1a O    15.0680   -6.4464
            8   C1a C    15.0680   -8.1036
            9   O2a O    13.6339   -8.9333
            10  O1a O    12.1941   -6.4455
            11  C5a C    13.6339   -5.6167
            12  C1b C    14.3531   -5.2009
            13  O5a O    12.9158   -5.1991
            14  C1b C    15.0678   -5.6130
            15  C1a C    15.7820   -5.2001
            16  C1a C    12.9199   -9.3467
BOND        16
            1     3   9 1
            2     3   4 2
            3     1  10 1
            4     4   5 1
            5     6  11 1
            6     5   6 2
            7    11  12 1
            8     6   1 1
            9    11  13 2
            10    5   7 1
            11    1   2 2
            12   12  14 1
            13    4   8 1
            14   14  15 1
            15    2   3 1
            16    9  16 1


entry: C10674
name: --- - Danielone
formula: C10H12O5
kcf:
ATOM        15
            1   C8x C     4.3458  -11.8958
            2   C8y C     4.3458  -12.7250
            3   C8y C     5.0662  -13.1375
            4   C8y C     5.7824  -12.7250
            5   C8x C     5.7824  -11.8958
            6   C8y C     5.0662  -11.4792
            7   C5a C     5.0672  -10.6500
            8   C1b C     5.7864  -10.2384
            9   O5a O     4.3491  -10.2366
            10  O1a O     6.5045  -10.6518
            11  O2a O     6.5013  -13.1370
            12  C1a C     7.2196  -12.7239
            13  O1a O     5.0672  -13.9667
            14  O2a O     3.6274  -13.1379
            15  C1a C     2.9086  -12.7257
BOND        15
            1     1   2 1
            2     7   8 1
            3     2   3 2
            4     7   9 2
            5     3   4 1
            6     8  10 1
            7     4   5 2
            8     4  11 1
            9     5   6 1
            10   11  12 1
            11    6   1 2
            12    3  13 1
            13    2  14 1
            14    6   7 1
            15   14  15 1


entry: C10675
name: --- - 3',4'-Dihydroxyacetophenone
formula: C8H8O3
kcf:
ATOM        11
            1   C8x C     3.8167  -11.8958
            2   C8x C     3.8167  -12.7250
            3   C8y C     4.5370  -13.1375
            4   C8y C     5.2532  -12.7250
            5   C8x C     5.2532  -11.8958
            6   C8y C     4.5370  -11.4792
            7   O1a O     5.9721  -13.1370
            8   O1a O     4.5381  -13.9667
            9   C5a C     4.5381  -10.6500
            10  C1a C     5.2572  -10.2384
            11  O5a O     3.8199  -10.2366
BOND        11
            1     5   6 2
            2     6   1 1
            3     4   7 1
            4     1   2 2
            5     3   8 1
            6     2   3 1
            7     6   9 1
            8     3   4 2
            9     9  10 1
            10    4   5 1
            11    9  11 2


entry: C10676
name: --- - gamma-Fagarine - Fagarine
formula: C13H11NO3
kcf:
ATOM        17
            1   N5x N    16.3880  -14.5875
            2   C8y C    16.3880  -12.9292
            3   C8y C    15.6718  -13.3417
            4   C8y C    15.6753  -14.1709
            5   C8y C    14.9585  -14.5906
            6   C8x C    14.2381  -14.1770
            7   C8x C    14.2345  -13.3478
            8   C8x C    14.9514  -12.9323
            9   C8y C    17.1083  -14.1709
            10  C8y C    17.1102  -13.3414
            11  C8x C    17.8999  -13.0882
            12  C8x C    18.3875  -13.7612
            13  O2x O    17.8968  -14.4319
            14  O2a O    14.9625  -15.4125
            15  C1a C    15.6792  -15.8209
            16  O2a O    16.3917  -12.1042
            17  C1a C    15.6750  -11.6875
BOND        19
            1     7   8 2
            2     8   3 1
            3     9   1 2
            4     1   4 1
            5     3   2 1
            6     2  10 2
            7     9  10 1
            8    10  11 1
            9    11  12 2
            10   12  13 1
            11   13   9 1
            12    3   4 2
            13    5  14 1
            14    4   5 1
            15   14  15 1
            16    5   6 2
            17    2  16 1
            18    6   7 1
            19   16  17 1


entry: C10677
name: --- - Febrifugine
formula: C16H19N3O3
kcf:
ATOM        22
            1   C8x C     1.4833  -12.1125
            2   C8x C     1.4833  -12.9417
            3   C8x C     2.2037  -13.3542
            4   C8x C     2.2037  -11.6958
            5   C8y C     2.9157  -12.1125
            6   C8y C     2.9168  -12.9417
            7   N5x N     3.6359  -13.3532
            8   C8x C     4.3540  -12.9398
            9   N4y N     4.3530  -12.1107
            10  C8y C     3.6338  -11.6949
            11  C1b C     5.0667  -11.6917
            12  C5a C     5.7833  -12.1042
            13  C1b C     6.5000  -11.6875
            14  C1y C     7.2167  -12.1000
            15  N1x N     7.2193  -12.9254
            16  C1x C     7.9318  -13.3337
            17  C1x C     8.6458  -12.9208
            18  C1x C     8.6432  -12.0955
            19  C1y C     7.9265  -11.6830
            20  O5x O     3.6292  -10.8625
            21  O5a O     5.7792  -12.9333
            22  O1a O     7.9208  -10.8500
BOND        24
            1     9  11 1
            2     1   2 1
            3    11  12 1
            4     2   3 2
            5    12  13 1
            6     3   6 1
            7    13  14 1
            8     5   4 1
            9     4   1 2
            10    5   6 2
            11    6   7 1
            12    7   8 2
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  14 1
            19    8   9 1
            20   10  20 2
            21    9  10 1
            22   12  21 2
            23   10   5 1
            24   19  22 1 #Down


entry: C10678
name: --- - Flindersiamine
formula: C14H11NO5
kcf:
ATOM        20
            1   N5x N    17.0296  -16.1541
            2   C8y C    17.0296  -14.4958
            3   C8y C    16.3135  -14.9083
            4   C8y C    16.3170  -15.7375
            5   C8y C    15.6001  -16.1572
            6   C8x C    15.5931  -14.4989
            7   C8y C    17.7500  -15.7375
            8   C8y C    17.7519  -14.9080
            9   C8x C    18.5416  -14.6548
            10  C8x C    19.0250  -15.3278
            11  O2x O    18.5384  -15.9985
            12  C8y C    14.8762  -14.9144
            13  C8y C    14.8778  -15.7460
            14  O2x O    14.0871  -16.0074
            15  C1x C    13.5996  -15.3347
            16  O2x O    14.0846  -14.6602
            17  O2a O    17.0333  -13.6708
            18  C1a C    16.3167  -13.2541
            19  O2a O    15.6083  -16.9791
            20  C1a C    16.3292  -17.3833
BOND        23
            1     3   2 1
            2     7   8 1
            3     8   9 1
            4     9  10 2
            5    10  11 1
            6    11   7 1
            7     3   4 2
            8     4   5 1
            9     5  13 2
            10   12   6 2
            11    6   3 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  12 1
            17    2   8 2
            18    2  17 1
            19   17  18 1
            20    7   1 2
            21    5  19 1
            22    1   4 1
            23   19  20 1


entry: C10679
name: --- - Flindersine
formula: C14H13NO2
kcf:
ATOM        17
            1   C8x C     3.1667  -12.4417
            2   C8x C     3.1667  -13.2708
            3   C8x C     3.8870  -13.6875
            4   C8x C     3.8870  -12.0292
            5   C8y C     4.5990  -12.4417
            6   C8y C     4.5955  -13.2708
            7   N4x N     5.3124  -13.6905
            8   C8y C     6.0328  -13.2769
            9   C8y C     5.3194  -12.0322
            10  C8y C     6.0328  -12.4495
            11  C2x C     6.7529  -12.0439
            12  C2x C     6.7597  -11.2169
            13  C1z C     6.0463  -10.7955
            14  O2x O     5.3262  -11.2052
            15  O5x O     6.7458  -13.6917
            16  C1a C     5.6292  -10.0708
            17  C1a C     6.4583  -10.0708
BOND        19
            1     8  10 1
            2     9   5 1
            3     5   4 1
            4     4   1 2
            5     1   2 1
            6     2   3 2
            7     3   6 1
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 1
            13   14   9 1
            14    5   6 2
            15    8  15 2
            16    6   7 1
            17   13  16 1
            18    7   8 1
            19   13  17 1


entry: C10680
name: --- - 2',6'-Dihydroxy-4'-methoxyacetophenone - 4-O-Methylphloracetophenone
formula: C9H10O4
kcf:
ATOM        13
            1   C8y C     4.3458  -11.6250
            2   C8x C     4.3458  -12.4542
            3   C8y C     5.0662  -12.8708
            4   C8x C     5.7824  -12.4542
            5   C8y C     5.7824  -11.6250
            6   C8y C     5.0662  -11.2125
            7   O1a O     6.5013  -11.2130
            8   O1a O     3.6274  -11.2121
            9   O2a O     5.0672  -13.7000
            10  C5a C     5.0672  -10.3833
            11  C1a C     5.7864   -9.9676
            12  O5a O     4.3491   -9.9658
            13  C1a C     4.3491  -14.1134
BOND        13
            1     5   7 1
            2     1   2 1
            3     1   8 1
            4     2   3 2
            5     3   9 1
            6     3   4 1
            7     6  10 1
            8     4   5 2
            9    10  11 1
            10    5   6 1
            11   10  12 2
            12    6   1 2
            13    9  13 1


entry: C10681
name: --- - Furofoline I
formula: C16H11NO3
kcf:
ATOM        20
            1   C8x C     6.8504  -11.5428
            2   C8y C     6.1086  -11.1700
            3   C8y C     5.4610  -12.4488
            4   C8y C     5.4195  -11.6206
            5   C8y C     4.6852  -11.2446
            6   N4y N     4.7683  -12.9009
            7   C8y C     4.0298  -12.5207
            8   C8y C     3.9922  -11.6945
            9   C8x C     3.2574  -11.3160
            10  C8x C     2.5601  -11.7637
            11  C8x C     2.5976  -12.5899
            12  C8x C     3.3325  -12.9684
            13  C8y C     6.8954  -12.3707
            14  C8y C     6.1955  -12.8244
            15  C8x C     6.4122  -13.6292
            16  C8x C     7.2435  -13.6744
            17  O2x O     7.5421  -12.8976
            18  O1a O     6.1167  -10.3417
            19  O5x O     4.6917  -10.4167
            20  C1a C     4.7750  -13.7333
BOND        23
            1     2   4 1
            2     3   4 2
            3     7   8 2
            4     8   9 1
            5     9  10 2
            6    10  11 1
            7    11  12 2
            8    12   7 1
            9     4   5 1
            10    5   8 1
            11    7   6 1
            12    6   3 1
            13    3  14 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  13 1
            19    2  18 1
            20   13   1 1
            21    5  19 2
            22    1   2 2
            23    6  20 1


entry: C10682
name: --- - Matairesinol
formula: C20H22O6
kcf:
ATOM        26
            1   C1y C    16.7296   -9.4681
            2   C1y C    15.8978   -9.4681
            3   C1b C    17.4475   -9.8861
            4   C7x C    16.9848   -8.6853
            5   C1b C    15.1798   -9.8861
            6   C1x C    15.6385   -8.6853
            7   C8y C    18.1613   -9.4681
            8   O7x O    16.3116   -8.1949
            9   O7x O    17.6855   -8.2674
            10  C8y C    14.4620   -9.4681
            11  C8x C    18.8759   -9.8861
            12  C8x C    18.1579   -8.6398
            13  C8x C    13.7440   -9.8861
            14  C8x C    14.4620   -8.6398
            15  C8x C    19.5939   -9.4681
            16  C8y C    18.8759   -8.2260
            17  C8x C    13.0260   -9.4681
            18  C8y C    13.7440   -8.2294
            19  C8y C    19.5939   -8.6398
            20  C8y C    13.0260   -8.6398
            21  O1a O    20.3117   -8.2260
            22  O1a O    12.3081   -8.2260
            23  O2a O    13.7440   -7.4044
            24  C1a C    13.0296   -6.9919
            25  O2a O    18.8759   -7.4010
            26  C1a C    19.5904   -6.9885
BOND        28
            1     2   5 1 #Up
            2     2   6 1
            3     3   7 1
            4     4   8 1
            5     4   9 2
            6     5  10 1
            7     7  11 2
            8     7  12 1
            9    10  13 2
            10   10  14 1
            11   11  15 1
            12   12  16 2
            13   13  17 1
            14   14  18 2
            15   15  19 2
            16   17  20 2
            17   19  21 1
            18   20  22 1
            19    6   8 1
            20   16  19 1
            21   18  20 1
            22   18  23 1
            23    1   2 1
            24   23  24 1
            25    1   3 1 #Down
            26   16  25 1
            27    1   4 1
            28   25  26 1


entry: C10683
name: --- - Galipine
formula: C20H21NO3
kcf:
ATOM        24
            1   C8x C    12.3750  -15.1500
            2   C8x C    12.3750  -15.9791
            3   C8x C    13.0954  -16.3958
            4   C8x C    13.0954  -14.7375
            5   C8y C    13.8116  -15.1500
            6   C8y C    13.8080  -15.9791
            7   N5x N    14.5249  -16.3988
            8   C8x C    15.2411  -15.9852
            9   C8y C    15.2447  -15.1561
            10  C8y C    14.5320  -14.7405
            11  C1b C    15.9584  -14.7416
            12  C1b C    16.6750  -15.1500
            13  C8y C    17.3917  -14.7375
            14  C8x C    18.1094  -15.1483
            15  C8y C    18.8260  -14.7358
            16  C8y C    18.8250  -13.9083
            17  C8x C    18.1074  -13.4933
            18  C8x C    17.3907  -13.9100
            19  O2a O    14.5292  -13.9125
            20  O2a O    19.5417  -13.4916
            21  C1a C    20.2542  -13.9041
            22  O2a O    19.5417  -15.1416
            23  C1a C    20.2500  -14.7291
            24  C1a C    13.8133  -13.5025
BOND        26
            1     1   2 1
            2    11  12 1
            3     2   3 2
            4    12  13 1
            5     3   6 1
            6     5   4 1
            7     4   1 2
            8     5   6 2
            9     6   7 1
            10   13  14 2
            11   14  15 1
            12   15  16 2
            13   16  17 1
            14   17  18 2
            15   18  13 1
            16    7   8 2
            17   10  19 1
            18    8   9 1
            19    9  10 2
            20   16  20 1
            21   10   5 1
            22   20  21 1
            23   15  22 1
            24    9  11 1
            25   22  23 1
            26   19  24 1


entry: C10684
name: --- - 2',6'-Dimethoxy-4'-hydroxyacetophenone
formula: C10H12O4
kcf:
ATOM        14
            1   C8y C     4.3458  -11.8958
            2   C8x C     4.3458  -12.7250
            3   C8y C     5.0662  -13.1375
            4   C8x C     5.7824  -12.7250
            5   C8y C     5.7824  -11.8958
            6   C8y C     5.0662  -11.4792
            7   C5a C     5.0672  -10.6500
            8   C1a C     5.7864  -10.2384
            9   O5a O     4.3491  -10.2366
            10  O2a O     6.5013  -11.4797
            11  O2a O     3.6274  -11.4788
            12  C1a C     2.9086  -11.8951
            13  C1a C     7.2196  -11.8969
            14  O1a O     5.0672  -13.9667
BOND        14
            1     6   7 1
            2     1   2 2
            3     7   8 1
            4     2   3 1
            5     7   9 2
            6     3   4 2
            7     5  10 1
            8     4   5 1
            9     1  11 1
            10    5   6 2
            11   11  12 1
            12    6   1 1
            13   10  13 1
            14    3  14 1


entry: C10685
name: --- - Glycobismine A
formula: C37H34N2O6
kcf:
ATOM        45
            1   C8x C     0.9792  -12.3000
            2   C8x C     0.9792  -13.1167
            3   C8x C     1.6829  -13.5208
            4   C8x C     1.6829  -11.8958
            5   C8y C     2.3865  -12.3000
            6   C8y C     2.3830  -13.1167
            7   N4y N     3.0832  -13.5239
            8   C8y C     3.0903  -11.8989
            9   C8y C     3.7946  -12.3061
            10  C8y C     3.7872  -13.1206
            11  C8y C     4.4835  -13.5301
            12  C8y C     5.1915  -13.1293
            13  C8y C     5.1990  -12.3190
            14  C8y C     4.4984  -11.9095
            15  O1a O     4.4917  -11.0958
            16  O5x O     3.0833  -11.0833
            17  C8x C     3.0417   -9.3333
            18  C8x C     3.0417  -10.1458
            19  C8x C     3.7495  -10.5542
            20  C8x C     3.7495   -8.9292
            21  C8y C     4.4490   -9.3333
            22  C8y C     4.4455  -10.1458
            23  N4x N     5.1499  -10.5572
            24  C8y C     5.1569   -8.9322
            25  C8y C     5.8571   -9.3394
            26  C8y C     5.8497  -10.1498
            27  C8x C     7.2615   -9.3523
            28  C8y C     6.5651   -8.9428
            29  C8y C     7.2540  -10.1627
            30  C8y C     6.5510  -10.5628
            31  C1y C     6.5434  -11.3720
            32  C1x C     7.2387  -11.7812
            33  C1z C     7.9459  -11.3853
            34  O2x O     7.9494  -10.5760
            35  O5x O     5.1500   -8.1167
            36  O1a O     6.5583   -8.1292
            37  C1a C     8.6458  -10.9708
            38  C1a C     8.6458  -11.7875
            39  O1a O     5.8875  -13.5375
            40  C1a C     3.0750  -14.3333
            41  C1b C     4.4833  -14.3375
            42  C2b C     5.1875  -14.7458
            43  C2c C     5.1875  -15.5542
            44  C1a C     5.8875  -15.9583
            45  C1a C     4.4792  -15.9542
BOND        51
            1     1   2 1
            2     2   3 2
            3    21  22 2
            4    22  23 1
            5    23  26 1
            6    25  24 1
            7    24  21 1
            8     3   6 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   25  26 2
            13   26  30 1
            14   29  27 1
            15   27  28 2
            16   28  25 1
            17   12  13 1
            18   13  14 2
            19   14   9 1
            20    5   6 2
            21   14  15 1
            22    6   7 1
            23   29  30 2
            24   30  31 1
            25   31  32 1
            26   32  33 1
            27   33  34 1
            28   34  29 1
            29    8  16 2
            30   24  35 2
            31    7  10 1
            32   28  36 1
            33   13  31 1
            34    9   8 1
            35    8   5 1
            36   33  37 1
            37    5   4 1
            38   33  38 1
            39   17  18 1
            40   12  39 1
            41   18  19 2
            42    7  40 1
            43   19  22 1
            44   11  41 1
            45   21  20 1
            46   41  42 1
            47   20  17 2
            48   42  43 2
            49    4   1 2
            50   43  44 1
            51   43  45 1


entry: C10686
name: --- - Glycoperine
formula: C19H21NO8
kcf:
ATOM        28
            1   C1y C    12.3418   -8.1911
            2   C1y C    12.3459   -9.0161
            3   C1y C    11.6335   -9.4322
            4   C1y C    10.9170   -9.0233
            5   C1y C    10.9128   -8.1983
            6   O2x O    11.6252   -7.7822
            7   O1a O    13.0626   -9.4244
            8   O1a O    11.6418  -10.2536
            9   O1a O    10.2084   -9.4328
            10  C1a C    10.2043   -7.7786
            11  O2a O    13.0542   -7.7750
            12  C8y C    14.4835   -7.7738
            13  O2a O    14.4835   -8.5947
            14  C1a C    15.1960   -9.0030
            15  N5x N    15.9130   -7.7708
            16  C8y C    15.9130   -6.1125
            17  C8y C    15.1968   -6.5250
            18  C8y C    15.2003   -7.3541
            19  C8y C    13.7631   -7.3644
            20  C8x C    13.7595   -6.5352
            21  C8x C    14.4764   -6.1155
            22  C8y C    16.6333   -7.3583
            23  C8y C    16.6295   -6.5276
            24  C8x C    17.4146   -6.2699
            25  C8x C    17.9051   -6.9371
            26  O2x O    17.4207   -7.6088
            27  O2a O    15.9167   -5.2916
            28  C1a C    15.2042   -4.8791
BOND        31
            1     4   9 1 #Up
            2     1   2 1
            3     5  10 1 #Down
            4     2   3 1
            5     3   4 1
            6     1  11 1 #Up
            7     4   5 1
            8     5   6 1
            9     6   1 1
            10    2   7 1 #Down
            11    3   8 1 #Down
            12   17  18 2
            13   18  12 1
            14   12  19 2
            15   19  20 1
            16   20  21 2
            17   21  17 1
            18   12  13 1
            19   22  15 2
            20   22  23 1
            21   23  24 1
            22   24  25 2
            23   25  26 1
            24   26  22 1
            25   15  18 1
            26   19  11 1
            27   17  16 1
            28   16  23 2
            29   13  14 1
            30   16  27 1
            31   27  28 1


entry: C10687
name: --- - Glycophymoline
formula: C16H14N2O
kcf:
ATOM        19
            1   C8x C    17.7458  -13.8791
            2   C8y C    17.7458  -14.7083
            3   C8x C    18.4662  -15.1250
            4   C8x C    19.1782  -14.7083
            5   C8x C    19.1782  -13.8791
            6   C8x C    18.4662  -13.4666
            7   C8x C    13.4500  -13.8750
            8   C8x C    13.4500  -14.7041
            9   C8x C    14.1662  -15.1208
            10  C8x C    14.1662  -13.4625
            11  C8y C    14.8824  -13.8750
            12  C8y C    14.8788  -14.7041
            13  N5x N    15.5957  -15.1238
            14  C8y C    16.3161  -14.7102
            15  N5x N    16.3196  -13.8811
            16  C8y C    15.6028  -13.4655
            17  C1b C    17.0292  -15.1250
            18  O2a O    15.6000  -12.6375
            19  C1a C    14.8841  -12.2275
BOND        21
            1     9  12 1
            2    11  10 1
            3    10   7 2
            4     4   5 2
            5     5   6 1
            6     6   1 2
            7     1   2 1
            8     2   3 2
            9    11  12 2
            10   12  13 1
            11   13  14 2
            12   14  15 1
            13   15  16 2
            14   16  11 1
            15    3   4 1
            16   14  17 1
            17   17   2 1
            18    7   8 1
            19   16  18 1
            20    8   9 2
            21   18  19 1


entry: C10688
name: --- - Glycosminine
formula: C15H12N2O
kcf:
ATOM        18
            1   C8x C     6.4958  -12.1042
            2   C8y C     6.4958  -12.9333
            3   C8x C     7.2162  -13.3458
            4   C8x C     7.9282  -12.9333
            5   C8x C     7.9282  -12.1042
            6   C8x C     7.2162  -11.6875
            7   C8x C     2.2000  -12.1000
            8   C8x C     2.2000  -12.9292
            9   C8x C     2.9162  -13.3417
            10  C8x C     2.9162  -11.6833
            11  C8y C     3.6324  -12.1000
            12  C8y C     3.6288  -12.9292
            13  N5x N     4.3457  -13.3447
            14  C8y C     5.0661  -12.9353
            15  N4x N     5.0696  -12.1061
            16  C8y C     4.3528  -11.6864
            17  C1b C     5.7792  -13.3458
            18  O5x O     4.3500  -10.8583
BOND        20
            1     8   9 2
            2     9  12 1
            3    11  10 1
            4    10   7 2
            5     4   5 2
            6     5   6 1
            7     6   1 2
            8     1   2 1
            9     2   3 2
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   15  16 1
            15   16  11 1
            16    3   4 1
            17   14  17 1
            18   17   2 1
            19    7   8 1
            20   16  18 2


entry: C10689
name: --- - Graveoline
formula: C17H13NO3
kcf:
ATOM        21
            1   C8x C    17.4630  -17.2000
            2   C8x C    16.7510  -16.7875
            3   C8y C    16.7510  -15.9584
            4   C8x C    17.4630  -15.5417
            5   C8y C    18.1833  -16.7875
            6   C8y C    18.1795  -15.9610
            7   O2x O    18.9646  -15.6991
            8   C1x C    19.4551  -16.3663
            9   O2x O    18.9707  -17.0380
            10  C8y C    16.0332  -15.5432
            11  N4y N    15.3149  -15.9604
            12  C8y C    15.3137  -14.3021
            13  C8x C    16.0326  -14.7140
            14  C8y C    14.5954  -14.7151
            15  C8y C    14.6004  -15.5414
            16  C8x C    13.8867  -15.9610
            17  C8x C    13.1680  -15.5501
            18  C8x C    13.1630  -14.7238
            19  C8x C    13.8767  -14.3083
            20  O5x O    15.3208  -13.4709
            21  C1a C    15.3208  -16.7875
BOND        24
            1     5   1 2
            2     1   2 1
            3    10  11 1
            4    11  15 1
            5    14  12 1
            6    12  13 1
            7    13  10 2
            8     3  10 1
            9     2   3 2
            10    3   4 1
            11    5   6 1
            12    6   7 1
            13    7   8 1
            14    8   9 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  14 1
            21    9   5 1
            22   12  20 2
            23    4   6 2
            24   11  21 1


entry: C10690
name: --- - Megaphone
formula: C22H30O6
kcf:
ATOM        28
            1   C1c C    15.9864  -14.9427
            2   C8y C    13.1000  -14.9416
            3   C8y C    13.1000  -15.7750
            4   C8y C    13.8246  -16.1875
            5   C8x C    14.5449  -15.7750
            6   C8y C    14.5449  -14.9416
            7   C8x C    13.8246  -14.5209
            8   C1c C    15.2680  -14.5214
            9   C1z C    16.7053  -14.5225
            10  C1x C    17.4256  -14.9439
            11  C1y C    18.1488  -14.5237
            12  C2x C    18.1494  -13.6903
            13  C2x C    17.4269  -13.2773
            14  C5x C    16.7038  -13.6893
            15  O2a O    12.3774  -14.5205
            16  O2a O    12.3774  -16.1879
            17  O2a O    13.8256  -17.0209
            18  C1a C    11.6545  -14.9409
            19  C1a C    11.6545  -15.7757
            20  O1a O    15.2478  -13.7172
            21  C1a C    16.0067  -15.7707
            22  O5x O    15.9850  -13.2771
            23  O2a O    18.9171  -14.9450
            24  C1b C    16.7221  -15.2766
            25  C2b C    17.3848  -15.6350
            26  C2a C    17.4016  -16.3893
            27  C1a C    19.6756  -14.4755
            28  C1a C    13.1074  -17.4384
BOND        29
            1    13  14 1
            2    14   9 1
            3     6   8 1
            4     2  15 1
            5     2   3 2
            6     3  16 1
            7     8   1 1
            8     4  17 1
            9     3   4 1
            10   15  18 1
            11    1   9 1
            12   16  19 1
            13    4   5 2
            14    5   6 1
            15    8  20 1 #Down
            16    6   7 2
            17    1  21 1 #Down
            18    7   2 1
            19   14  22 2
            20   11  23 1 #Down
            21    9  10 1
            22    9  24 1 #Up
            23   10  11 1
            24   24  25 1
            25   11  12 1
            26   25  26 2
            27   12  13 2
            28   23  27 1
            29   17  28 1


entry: C10691
name: --- - Haplodimerine
formula: C28H26N2O6
kcf:
ATOM        36
            1   C1y C    13.7667   -6.2042
            2   C1y C    13.7667   -7.0334
            3   C1z C    14.4811   -7.4459
            4   O2x O    15.1998   -7.0334
            5   C8y C    14.4811   -5.7875
            6   C8y C    15.1976   -6.2079
            7   N4x N    15.2063   -4.5497
            8   C8y C    14.4855   -4.9584
            9   C8y C    15.9227   -4.9659
            10  C8y C    15.9165   -5.7914
            11  C8x C    16.6289   -6.2115
            12  C8x C    17.3474   -5.8021
            13  C8x C    17.3536   -4.9766
            14  C8x C    16.6412   -4.5606
            15  C1y C    12.9361   -7.0291
            16  C1y C    12.9375   -6.2042
            17  O2x O    12.1510   -7.2814
            18  C8y C    11.6657   -6.6180
            19  C8y C    12.1584   -5.9461
            20  C8y C    11.8166   -5.1830
            21  N5x N    10.8355   -6.5309
            22  C8y C    10.4978   -5.7678
            23  C8y C    10.9889   -5.0980
            24  C8x C    10.6543   -4.3336
            25  C8x C     9.8245   -4.2433
            26  C8y C     9.3293   -4.9132
            27  C8y C     9.6680   -5.6775
            28  O2a O     8.5083   -4.8250
            29  O2a O     9.1750   -6.3417
            30  O5x O    13.7667   -4.5459
            31  O2a O    12.3000   -4.5084
            32  C1a C    15.0667   -8.0334
            33  C1a C    14.2625   -8.2459
            34  C1a C    11.9595   -3.7569
            35  C1a C     9.5029   -7.0987
            36  C1a C     8.1745   -4.0705
BOND        42
            1     7   8 1
            2     8   5 1
            3    18  19 1
            4    19  20 2
            5    20  23 1
            6    22  21 1
            7    21  18 2
            8     2   3 1
            9     3   4 1
            10    4   6 1
            11    5   1 1
            12   16   1 1
            13    2  15 1
            14   22  23 2
            15   23  24 1
            16   24  25 2
            17   25  26 1
            18   26  27 2
            19   27  22 1
            20    9  10 2
            21   26  28 1
            22   10  11 1
            23   11  12 2
            24   27  29 1
            25   12  13 1
            26   13  14 2
            27    8  30 2
            28   14   9 1
            29   20  31 1
            30    1   2 1
            31    5   6 2
            32   15  16 1
            33   16  19 1
            34   18  17 1
            35    3  32 1
            36   17  15 1
            37    3  33 1
            38   31  34 1
            39    6  10 1
            40   29  35 1
            41    9   7 1
            42   28  36 1


entry: C10692
name: --- - Haplophyllidine
formula: C18H23NO4
kcf:
ATOM        23
            1   C1b C     5.8042  -13.0792
            2   C2b C     6.5208  -13.4917
            3   C2c C     6.5208  -14.3167
            4   C1a C     7.2375  -14.7250
            5   C1a C     5.8000  -14.7250
            6   N5x N     4.3829  -12.2500
            7   C8y C     4.3829  -10.5917
            8   C8y C     5.0990  -11.0083
            9   C8y C     5.0955  -11.8375
            10  C1z C     5.8124  -12.2530
            11  C1y C     6.5328  -11.8436
            12  C1x C     6.5363  -11.0144
            13  C1x C     5.8194  -10.5947
            14  C8y C     3.6625  -11.8375
            15  C8y C     3.6650  -11.0067
            16  C8x C     2.8753  -10.7447
            17  C8x C     2.3875  -11.4162
            18  O2x O     2.8714  -12.0906
            19  O2a O     4.3750   -9.7625
            20  O1a O     7.2458  -12.2500
            21  C1a C     5.0917   -9.3458
            22  O2a O     5.0875  -12.6625
            23  C1a C     5.0833  -13.4917
BOND        25
            1     9  10 1
            2    10  11 1
            3    11  12 1
            4    12  13 1
            5    13   8 1
            6     6   9 1
            7     8   7 1
            8     7  15 2
            9     3   4 1
            10   14  15 1
            11   15  16 1
            12   16  17 2
            13   17  18 1
            14   18  14 1
            15    3   5 1
            16    7  19 1
            17    2   3 2
            18   11  20 1 #Up
            19    1   2 1
            20   19  21 1
            21   10   1 1 #Up
            22   14   6 2
            23   10  22 1 #Down
            24    8   9 2
            25   22  23 1


entry: C10693
name: --- - Filixic acid BBB - Filicin
formula: C36H44O12
kcf:
ATOM        48
            1   C2y C     5.7375   -7.1292
            2   C2y C     5.7375   -7.9167
            3   C5x C     6.4204   -8.3083
            4   C2y C     7.0990   -7.9167
            5   C2y C     7.0990   -7.1292
            6   C1z C     6.4204   -6.7375
            7   O5x O     6.4214   -9.0917
            8   C5a C     7.7763   -8.3078
            9   C1b C     8.4571   -7.9156
            10  C1b C     9.1386   -8.3067
            11  C1a C     9.8194   -7.9145
            12  O5a O     7.7769   -9.0911
            13  O1a O     7.7763   -6.7380
            14  O1a O     5.0566   -6.7371
            15  C1a C     5.7797   -5.9417
            16  C1a C     6.9745   -5.9013
            17  C1b C     4.7691   -8.4212
            18  C8y C     2.4125   -7.1208
            19  C8y C     2.4125   -7.9083
            20  C8y C     3.0954   -8.3000
            21  C8y C     3.7740   -7.9083
            22  C8y C     3.7740   -7.1208
            23  C8y C     3.0954   -6.7292
            24  C5a C     3.0964   -5.9458
            25  O5a O     2.4158   -5.5491
            26  C1b C     3.7781   -5.5509
            27  C1b C     3.7791   -4.7676
            28  C1a C     4.4608   -4.3768
            29  O1a O     4.4555   -6.7297
            30  O1a O     1.7357   -6.7288
            31  O1a O     3.0964   -9.0875
            32  C1b C     1.4732   -8.4629
            33  C2y C    -0.8750   -7.1125
            34  C2y C    -0.8750   -7.9000
            35  C5x C    -0.1921   -8.2917
            36  C2y C     0.4865   -7.9000
            37  C2y C     0.4865   -7.1125
            38  C1z C    -0.1921   -6.7208
            39  O5x O    -0.1911   -9.0792
            40  C5a C    -1.5518   -8.2920
            41  C1b C    -2.2331   -7.9007
            42  O5a O    -1.5513   -9.0795
            43  C1b C    -2.9140   -8.2928
            44  C1a C    -3.5954   -7.9015
            45  O1a O    -1.5518   -6.7205
            46  O1a O     1.1680   -6.7214
            47  C1a C    -0.7953   -6.0042
            48  C1a C     0.3204   -5.9638
BOND        50
            1    23  24 1
            2     8  12 2
            3    24  25 2
            4     6   1 1
            5    24  26 1
            6     5  13 1
            7    26  27 1
            8    27  28 1
            9     1  14 1
            10   22  29 1
            11    3   7 2
            12   18  30 1
            13    6  15 1
            14   20  31 1
            15    1   2 2
            16   19  32 1
            17    6  16 1
            18    4   8 1
            19    2  17 1
            20    2   3 1
            21    8   9 1
            22    3   4 1
            23   33  34 2
            24   34  35 1
            25   35  36 1
            26   36  37 2
            27   37  38 1
            28   38  33 1
            29    9  10 1
            30   35  39 2
            31    4   5 2
            32   34  40 1
            33   10  11 1
            34   40  41 1
            35   18  19 2
            36   40  42 2
            37   19  20 1
            38   41  43 1
            39   20  21 2
            40   43  44 1
            41   21  22 1
            42   33  45 1
            43   22  23 2
            44   37  46 1
            45   23  18 1
            46   38  47 1
            47    5   6 1
            48   38  48 1
            49   36  32 1
            50   21  17 1


