# compounds

entry: C08659
name: --- - Anthranoyllycoctonine - Inuline
formula: C32H46N2O8
kcf:
ATOM        42
            1   C1z C    -0.1483    0.8828
            2   C1y C    -0.1483    0.1069
            3   C1y C    -0.1552    1.6517
            4   C1y C     0.4069    1.3310
            5   C1y C    -0.8103    1.2655
            6   C1z C    -0.8103   -0.2759
            7   C1y C     0.4345   -0.3483
            8   C1z C     1.1621   -0.1724
            9   N1y N    -1.0931    0.4483
            10  C1y C     1.1207    1.1655
            11  C1x C     0.3448    2.0552
            12  C1x C    -1.4793    0.8828
            13  O2a O    -0.8103    2.0379
            14  C1x C    -1.1241   -0.9414
            15  C1x C    -1.4793    0.1103
            16  C1b C    -0.5138   -0.9414
            17  O2a O     0.2655   -1.1000
            18  C1z C     1.4621    0.5345
            19  O1a O     1.6138   -0.7897
            20  C1b C    -1.7862    0.8517
            21  C1y C     1.4931    1.7897
            22  C1y C     1.0103    2.3379
            23  C1a C    -1.4759    2.4207
            24  O7a O    -0.5172   -1.7103
            25  C1a C     0.8379   -1.6172
            26  C1x C     2.3655    0.9448
            27  O1a O     2.1276    0.1483
            28  C1a C    -2.4828    0.4483
            29  O2a O     2.8000    2.4414
            30  C1y C     1.7345    2.3414
            31  C7a C    -1.1103   -2.0483
            32  C1a C     3.4276    2.0828
            33  O2a O     2.1966    2.9621
            34  C8y C    -1.1138   -2.7379
            35  O7a O    -1.7103   -1.7035
            36  C1a C     1.8897    3.6655
            37  C8y C    -1.7138   -3.0759
            38  C8x C    -0.5276   -3.0828
            39  C8x C    -1.7207   -3.7552
            40  N1a N    -2.3034   -2.7276
            41  C8x C    -0.5310   -3.7655
            42  C8x C    -1.1241   -4.1103
BOND        48
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36   34  37 2
            37   34  38 1
            38   37  39 1
            39   37  40 1
            40   38  41 2
            41   39  42 2
            42    7   8 1
            43    9  14 1
            44   10  18 1
            45   12  15 1
            46   21  22 1
            47   26  30 1
            48   41  42 1


entry: C08660
name: --- - Atisine
formula: C22H33NO2
kcf:
ATOM        25
            1   C1z C    -0.3069   -0.0724
            2   C1y C     0.3690    0.3138
            3   C1y C    -0.3103   -0.8517
            4   C1y C    -0.3138    0.7034
            5   C1x C    -0.9793    0.3172
            6   C1z C     1.0379   -0.0793
            7   C1x C     0.3759    1.0897
            8   C1z C    -0.9793   -1.2379
            9   C1x C     0.3621   -1.2414
            10  N1y N    -1.2207   -0.4690
            11  O2x O    -1.0690    0.9069
            12  C1x C    -1.6552   -0.0724
            13  C1x C     1.0379   -0.8552
            14  C1y C     1.7103    0.3000
            15  C1x C     0.6414    0.6000
            16  C1y C     1.0483    1.4690
            17  C1x C    -1.3759   -1.9138
            18  C1x C    -1.6552   -0.8517
            19  C1a C    -0.7828   -1.9931
            20  C1x C    -2.0241   -0.0414
            21  C1x C    -1.8207    0.7069
            22  C2y C     1.7172    1.0793
            23  O1a O     2.3793   -0.0828
            24  C1x C     1.4310    0.8034
            25  C2a C     2.3862    1.4690
BOND        30
            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     3   9 1
            9     4  10 1
            10    4  11 1 #Either
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16    8  17 1 #Down
            17    8  18 1
            18    8  19 1 #Up
            19   10  20 1
            20   11  21 1
            21   14  22 1
            22   14  23 1 #Up
            23   15  24 1
            24   22  25 2
            25    9  13 1
            26   10  17 1
            27   12  18 1
            28   16  22 1
            29   16  24 1 #Down
            30   20  21 1


entry: C08661
formula: C36H51N3O10
name:
--- 
- Avadharidine
- Aconitane-7,8-diol, 4-(((2-((4-amino-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl- 1,6,14,16-tetramethoxy-, (1alpha,6beta,14alpha,16beta)-

kcf:
ATOM        49
            1   C1z C     0.4345    1.3345
            2   C1y C     0.4345    0.5379
            3   C1y C     0.4276    2.1207
            4   C1y C     1.0035    1.7897
            5   C1y C    -0.2448    1.7241
            6   C1z C    -0.2448    0.1483
            7   C1y C     1.0310    0.0690
            8   C1z C     1.7759    0.2517
            9   N1y N    -0.5310    0.8862
            10  C1y C     1.7345    1.6207
            11  C1x C     0.9379    2.5345
            12  C1x C    -0.9310    1.3345
            13  O2a O    -0.2448    2.5172
            14  C1x C    -0.5690   -0.5345
            15  C1x C    -0.9310    0.5414
            16  C1b C     0.0586   -0.5345
            17  O2a O     0.8586   -0.7000
            18  C1z C     2.0862    0.9724
            19  O1a O     2.2414   -0.3828
            20  C1b C    -1.2483    1.3000
            21  C1y C     2.1172    2.2621
            22  C1y C     1.6207    2.8241
            23  C1a C    -0.9276    2.9103
            24  O7a O     0.0552   -1.3241
            25  C1a C     1.4448   -1.2310
            26  C1x C     3.0103    1.3966
            27  O1a O     2.7690    0.5793
            28  C1a C    -1.9586    0.8862
            29  O2a O     3.4552    2.9310
            30  C1y C     2.3655    2.8276
            31  C7a C    -0.5552   -1.6724
            32  C1a C     4.1000    2.5621
            33  O2a O     2.8379    3.4621
            34  C8y C    -0.5586   -2.3793
            35  O7a O    -1.1655   -1.3172
            36  C1a C     2.5241    4.1828
            37  C8y C    -1.1690   -2.7241
            38  C8x C     0.0448   -2.7310
            39  N1b N    -1.7759   -2.3690
            40  C8x C    -1.1759   -3.4241
            41  C8x C     0.0414   -3.4345
            42  C5a C    -2.3862   -2.7138
            43  C8x C    -0.5690   -3.7862
            44  C1b C    -2.9897   -2.3655
            45  O5a O    -2.3897   -3.4103
            46  C1b C    -3.5931   -2.7103
            47  C5a C    -4.1966   -2.3586
            48  N1a N    -4.8000   -2.7069
            49  O5a O    -4.2000   -1.6586
BOND        55
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Down
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36   34  37 2
            37   34  38 1
            38   37  39 1
            39   37  40 1
            40   38  41 2
            41   39  42 1
            42   40  43 2
            43   42  44 1
            44   42  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   47  49 2
            49    7   8 1
            50    9  14 1
            51   10  18 1
            52   12  15 1
            53   21  22 1
            54   26  30 1
            55   41  43 1


entry: C08662
formula: C36H46N2O10
name:
--- 
- Barbinine
- Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1- pyrrolidinyl)benzoyl)oxy)methyl)-1,6,16-trimethoxy-, (1-alpha,4(S),6-beta,16-beta)-

kcf:
ATOM        48
            1   C1z C     0.3621    1.3035
            2   C1y C     0.3655    0.5517
            3   C1y C     0.3552    2.0552
            4   C1y C     0.9483    1.7793
            5   C1y C    -0.2897    1.6793
            6   C1z C    -0.2897    0.1655
            7   C1y C     0.9621    0.0759
            8   C1z C     1.6965    0.2517
            9   N1y N    -0.5172    0.8828
            10  C1y C     1.6862    1.6207
            11  C1x C     0.8655    2.5276
            12  C1x C    -0.9483    1.3035
            13  O2a O    -0.2931    2.4310
            14  C1x C    -0.4897   -0.5586
            15  C1x C    -0.9483    0.5483
            16  C1b C     0.0759   -0.4862
            17  O2a O     0.9586   -0.6759
            18  C1z C     2.0241    0.9414
            19  O1a O     2.2310   -0.2793
            20  C1b C    -1.2931    1.2586
            21  C5x C     2.0690    2.2759
            22  C1y C     1.5586    2.8379
            23  C1a C    -0.9483    2.8069
            24  O7a O     0.0759   -1.2379
            25  C1a C     1.6069   -1.0517
            26  C1x C     2.8586    1.3655
            27  O1a O     2.6724    0.5690
            28  C1a C    -1.9483    0.8828
            29  O5x O     3.1517    2.8862
            30  C1y C     2.3138    2.8414
            31  C7a C    -0.5724   -1.6103
            32  O2a O     2.6862    3.5000
            33  C8y C    -0.5793   -2.3690
            34  O7a O    -1.2379   -1.2345
            35  C1a C     2.3000    4.1448
            36  C8y C    -1.2414   -2.7379
            37  C8x C     0.0690   -2.7448
            38  N1y N    -1.8862   -2.3586
            39  C8x C    -1.2414   -3.4931
            40  C8x C     0.0655   -3.5000
            41  C5x C    -2.0828   -1.6276
            42  C5x C    -2.5207   -2.7690
            43  C8x C    -0.5862   -3.8793
            44  C1x C    -2.8414   -1.5931
            45  O5x O    -1.7138   -0.9655
            46  C1y C    -3.1103   -2.2966
            47  O5x O    -2.5241   -3.5207
            48  C1a C    -3.8414   -2.4897
BOND        55
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 2
            29   22  30 1
            30   24  31 1
            31   30  32 1 #Up
            32   31  33 1
            33   31  34 2
            34   32  35 1
            35   33  36 2
            36   33  37 1
            37   36  38 1
            38   36  39 1
            39   37  40 2
            40   38  41 1
            41   38  42 1
            42   39  43 2
            43   41  44 1
            44   41  45 2
            45   42  46 1
            46   42  47 2
            47   46  48 1 #Up
            48    7   8 1
            49    9  14 1
            50   10  18 1
            51   12  15 1
            52   21  22 1
            53   26  30 1
            54   40  43 1
            55   44  46 1


entry: C08663
name: --- - Beiwutine
formula: C32H43NO12
kcf:
ATOM        45
            1   C1z C    -1.2897   -0.1724
            2   C1z C    -0.7379    0.2690
            3   C1y C    -1.2897   -0.9414
            4   C1y C    -1.3000    0.5931
            5   C1y C    -1.9483    0.2103
            6   C1y C    -0.0310    0.1103
            7   C1x C    -0.8034    0.9897
            8   O1a O    -0.2793    0.7345
            9   C1z C    -1.9483   -1.3241
            10  C1y C    -0.7138   -1.4000
            11  C1y C     0.0069   -1.2241
            12  N1y N    -2.2310   -0.6069
            13  C1x C    -2.6207   -0.1724
            14  O2a O    -1.9483    0.9759
            15  C1z C     0.3172   -0.5276
            16  C1y C     0.3414    0.7310
            17  C1z C    -0.1379    1.2759
            18  C1x C    -2.2655   -1.9862
            19  C1y C    -2.6207   -0.9414
            20  C1b C    -1.6517   -1.9862
            21  O1a O    -0.8793   -2.1483
            22  C1a C    -2.8931   -0.2241
            23  C1a C    -2.6172    1.3621
            24  C1y C     1.2103   -0.1103
            25  O7a O     0.9759   -0.9069
            26  O7a O     1.6448    1.3793
            27  C1y C     0.5897    1.2793
            28  O1a O     0.0241    1.9862
            29  O1a O    -3.2828   -1.3241
            30  O2a O    -1.6586   -2.7552
            31  O1a O     1.8793   -0.4862
            32  C7a C     0.9759   -1.6724
            33  C7a C     2.2759    1.0207
            34  O2a O     1.0414    1.8966
            35  C1a C    -2.2517   -3.0897
            36  C1a C     1.6414   -2.0586
            37  O7a O     0.3103   -2.0552
            38  C8y C     2.8966    1.3793
            39  O7a O     2.2759    0.3000
            40  C1a C     0.7414    2.6000
            41  C8x C     3.5172    1.0207
            42  C8x C     2.8966    2.1000
            43  C8x C     4.1448    1.3793
            44  C8x C     3.5172    2.4621
            45  C8x C     4.1414    2.1000
BOND        51
            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     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10   11   4 1 #Down
            11    4  12 1
            12    5  13 1
            13    5  14 1 #Down
            14    6  15 1
            15    6  16 1
            16    7  17 1
            17    9  18 1 #Down
            18    9  19 1
            19    9  20 1 #Up
            20   10  21 1 #Down
            21   12  22 1
            22   14  23 1
            23   15  24 1
            24   15  25 1 #Up
            25   16  26 1 #Down
            26   17  27 1
            27   17  28 1 #Up
            28   19  29 1 #Down
            29   20  30 1
            30   24  31 1 #Down
            31   25  32 1
            32   26  33 1
            33   27  34 1 #Up
            34   30  35 1
            35   32  36 1
            36   32  37 2
            37   33  38 1
            38   33  39 2
            39   34  40 1
            40   38  41 2
            41   38  42 1
            42   41  43 1
            43   42  44 2
            44   43  45 2
            45   10  11 1
            46   11  15 1
            47   12  18 1
            48   13  19 1
            49   16  17 1
            50   24  27 1
            51   44  45 1


entry: C08664
name: --- - Bikhaconitine
formula: C36H51NO11
kcf:
ATOM        48
            1   C1z C    -1.6310   -0.3655
            2   C1y C    -1.0724    0.0793
            3   C1y C    -1.6414    0.4069
            4   C1y C    -1.6310   -1.1414
            5   C1y C    -2.3000    0.0207
            6   C1y C    -0.3586   -0.0793
            7   C1x C    -1.1379    0.8103
            8   C1y C    -0.3207   -1.4310
            9   N1y N    -2.5828   -0.8034
            10  C1z C    -2.3000   -1.5310
            11  C1y C    -1.0483   -1.6069
            12  C1x C    -2.9724   -0.3655
            13  O2a O    -2.3000    0.7966
            14  C1z C    -0.0103   -0.7241
            15  C1y C     0.0138    0.5448
            16  C1z C    -0.4655    1.0966
            17  C1x C    -2.6172   -2.2000
            18  C1b C    -3.2517   -0.4172
            19  C1x C    -2.9724   -1.1414
            20  C1b C    -1.9931   -2.2000
            21  O2a O    -1.2138   -2.3621
            22  C1a C    -2.9690    1.1862
            23  C1x C     0.8931   -0.3034
            24  O7a O     0.6586   -1.1069
            25  O7a O     1.3345    1.2034
            26  C1y C     0.2690    1.1000
            27  O1a O    -0.3034    1.8138
            28  C1a C    -3.9172   -0.8034
            29  O2a O    -2.0000   -2.9724
            30  C1a C    -0.6379   -2.8828
            31  C7a C     0.6586   -1.8828
            32  C7a C     1.9724    0.8414
            33  O2a O     0.7241    1.7241
            34  C1a C    -2.6034   -3.3103
            35  C1a C     1.3310   -2.2724
            36  O7a O    -0.0172   -2.2690
            37  C8y C     2.5966    1.2034
            38  O7a O     1.9724    0.1103
            39  C1a C     0.4241    2.4345
            40  C8x C     2.5966    1.9276
            41  C8x C     3.2241    0.8414
            42  C8y C     3.2241    2.2931
            43  C8x C     3.8586    1.2034
            44  C8y C     3.8552    1.9276
            45  O2a O     3.2241    3.0172
            46  O2a O     4.4793    2.2931
            47  C1a C     3.8483    3.3759
            48  C1a C     5.1034    1.9276
BOND        54
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    6  15 1
            15    7  16 1
            16    9  17 1
            17    9  18 1
            18   10  19 1
            19   10  20 1 #Up
            20   11  21 1 #Down
            21   13  22 1
            22   14  23 1
            23   14  24 1 #Up
            24   15  25 1 #Down
            25   16  26 1
            26   16  27 1 #Up
            27   18  28 1
            28   20  29 1
            29   21  30 1
            30   24  31 1
            31   25  32 1
            32   26  33 1 #Up
            33   29  34 1
            34   31  35 1
            35   31  36 2
            36   32  37 1
            37   32  38 2
            38   33  39 1
            39   37  40 1
            40   37  41 2
            41   40  42 2
            42   41  43 1
            43   42  44 1
            44   42  45 1
            45   44  46 1
            46   45  47 1
            47   46  48 1
            48    8  11 1
            49    8  14 1
            50   10  17 1 #Down
            51   12  19 1
            52   15  16 1
            53   23  26 1
            54   43  44 2


entry: C08665
formula: C25H41NO7
name:
--- 
- Browniine
- Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-

kcf:
ATOM        33
            1   C1z C    -0.3655    0.1793
            2   C1y C    -0.3655   -0.5621
            3   C1y C    -0.3759    0.9241
            4   C1y C     0.1759    0.6138
            5   C1y C    -1.0000    0.5552
            6   C1z C    -1.0000   -0.9345
            7   C1y C     0.1966   -1.0069
            8   C1z C     0.8966   -0.8379
            9   N1y N    -1.2759   -0.2379
            10  C1y C     0.8621    0.4586
            11  C1x C     0.1103    1.3138
            12  C1x C    -1.6517    0.1793
            13  O2a O    -1.0000    1.3000
            14  C1x C    -1.3103   -1.5793
            15  C1x C    -1.6517   -0.5621
            16  C1b C    -0.7138   -1.5793
            17  O2a O     0.0379   -1.7345
            18  C1z C     1.1966   -0.1621
            19  O1a O     1.4586   -1.4000
            20  C1b C    -1.9207    0.1345
            21  C1y C     1.2207    1.0586
            22  C1y C     0.7586    1.5862
            23  C1a C    -1.6483    1.6724
            24  O2a O    -0.7207   -2.3241
            25  C1a C     0.5897   -2.2379
            26  C1x C     2.0655    0.2414
            27  O1a O     1.8345   -0.5345
            28  C1a C    -2.5621   -0.2379
            29  O1a O     2.4862    1.6897
            30  C1y C     1.4621    1.5897
            31  C1a C    -1.2966   -2.6483
            32  O2a O     1.9000    2.1897
            33  C1a C     1.6103    2.8793
BOND        38
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   30  32 1 #Up
            32   32  33 1
            33    7   8 1
            34    9  14 1
            35   10  18 1
            36   12  15 1
            37   21  22 1
            38   26  30 1


entry: C08666
name: --- - Cammaconine - Columbiananine
formula: C23H37NO5
kcf:
ATOM        29
            1   C1z C    -0.3310   -0.0931
            2   C1y C    -0.3310   -0.8310
            3   C1y C    -0.3414    0.6379
            4   C1y C     0.2000    0.3310
            5   C1y C    -0.9586    0.2759
            6   C1z C    -0.9586   -1.1931
            7   C1x C     0.2207   -1.2621
            8   C1y C     0.9103   -1.0966
            9   N1y N    -1.2310   -0.5069
            10  C1y C     0.8724    0.1793
            11  C1x C     0.1345    1.0207
            12  C1x C    -1.6035   -0.0931
            13  O2a O    -0.9586    1.0069
            14  C1x C    -1.2655   -1.8276
            15  C1x C    -1.6035   -0.8310
            16  C1b C    -0.6759   -1.8276
            17  C1z C     1.2069   -0.4345
            18  C1b C    -1.8621   -0.1414
            19  C1y C     1.2310    0.7724
            20  C1y C     0.7759    1.2966
            21  C1a C    -1.6000    1.3793
            22  O1a O    -0.6828   -2.5655
            23  C1x C     2.0621   -0.0310
            24  O1a O     1.8379   -0.7966
            25  C1a C    -2.5000   -0.5069
            26  O1a O     2.4793    1.3897
            27  C1y C     1.4655    1.3000
            28  O2a O     1.9000    1.8862
            29  C1a C     1.6138    2.5621
BOND        34
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    8  17 1
            17    9  18 1
            18   10  19 1
            19   11  20 1
            20   13  21 1
            21   16  22 1
            22   17  23 1
            23   17  24 1 #Up
            24   18  25 1
            25   19  26 1 #Down
            26   20  27 1
            27   27  28 1 #Up
            28   28  29 1
            29    7   8 1
            30    9  14 1
            31   10  17 1
            32   12  15 1
            33   19  20 1
            34   23  27 1


entry: C08667
name: --- - Cardiopetalidine
formula: C21H33NO4
kcf:
ATOM        26
            1   C1z C    -0.3345    0.0966
            2   C1y C    -0.3448    0.8207
            3   C1y C    -0.3345   -0.6345
            4   C1y C     0.1862    0.5172
            5   C1y C    -0.9586    0.4586
            6   C1z C     0.8931   -0.9000
            7   N1y N    -1.2276   -0.3138
            8   C1x C     0.2103   -1.0655
            9   C1z C    -0.9586   -0.9931
            10  C1y C     0.8552    0.3655
            11  C1x C     0.1241    1.2000
            12  C1x C    -1.5966    0.0966
            13  O1a O    -0.9586    1.1862
            14  C1z C     1.1828   -0.2379
            15  O1a O     1.4414   -1.4517
            16  C1x C    -1.2621   -1.6207
            17  C1b C    -1.8552    0.0448
            18  C1x C    -1.5966   -0.6345
            19  C1a C    -0.6759   -1.6207
            20  C1y C     1.2069    0.9483
            21  C1y C     0.7586    1.4690
            22  C1x C     2.0310    0.1552
            23  O1a O     1.8103   -0.6000
            24  C1a C    -2.4828   -0.3138
            25  O1a O     2.4448    1.5655
            26  C1x C     1.4448    1.4724
BOND        31
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     6   2 1 #Down
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    6  15 1
            15    7  16 1
            16    7  17 1
            17    9  18 1
            18    9  19 1 #Up
            19   10  20 1
            20   11  21 1
            21   14  22 1
            22   14  23 1 #Up
            23   17  24 1
            24   20  25 1 #Down
            25   21  26 1
            26    6   8 1
            27    9  16 1 #Down
            28   10  14 1
            29   12  18 1
            30   20  21 1
            31   22  26 1


entry: C08668
name: --- - Cashmiradelphine
formula: C37H52N2O11
kcf:
ATOM        50
            1   C1z C     0.5414    1.3793
            2   C1y C     0.5414    0.5828
            3   C1y C     0.5345    2.1655
            4   C1y C     1.1103    1.8345
            5   C1y C    -0.1379    1.7690
            6   C1z C    -0.1379    0.1931
            7   C1y C     1.1379    0.1138
            8   C1z C     1.8828    0.2966
            9   N1y N    -0.4241    0.9310
            10  C1y C     1.8414    1.6655
            11  C1x C     1.0448    2.5793
            12  C1x C    -0.8241    1.3793
            13  O2a O    -0.1379    2.5621
            14  C1x C    -0.4621   -0.4897
            15  C1x C    -0.8241    0.5862
            16  C1b C     0.1655   -0.4897
            17  O2a O     0.9655   -0.6552
            18  C1z C     2.1931    1.0172
            19  O1a O     2.3483   -0.3379
            20  C1b C    -1.1379    1.3448
            21  C1y C     2.2241    2.3069
            22  C1y C     1.7276    2.8690
            23  C1a C    -0.8207    2.9552
            24  O7a O     0.1621   -1.2793
            25  C1a C     1.5517   -1.1862
            26  C1x C     3.1172    1.4414
            27  O1a O     2.8759    0.6241
            28  C1a C    -1.8517    0.9345
            29  O2a O     3.5621    2.9759
            30  C1y C     2.4724    2.8724
            31  C7a C    -0.4483   -1.6276
            32  C1a C     4.2069    2.6069
            33  O2a O     2.9448    3.5069
            34  C8y C    -0.4517   -2.3345
            35  O7a O    -1.0586   -1.2724
            36  C1a C     2.6310    4.2276
            37  C8y C    -1.0621   -2.6793
            38  C8x C     0.1517   -2.6862
            39  N1b N    -1.6690   -2.3241
            40  C8x C    -1.0690   -3.3793
            41  C8x C     0.1483   -3.3897
            42  C5a C    -2.2759   -2.6655
            43  C8x C    -0.4621   -3.7414
            44  C1b C    -2.8793   -2.3172
            45  O5a O    -2.2793   -3.3621
            46  C1b C    -3.4862   -2.6621
            47  C7a C    -4.0897   -2.3138
            48  O7a O    -4.6931   -2.6586
            49  O7a O    -4.0931   -1.6138
            50  C1a C    -5.2966   -2.3103
BOND        56
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36   34  37 2
            37   34  38 1
            38   37  39 1
            39   37  40 1
            40   38  41 2
            41   39  42 1
            42   40  43 2
            43   42  44 1
            44   42  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   47  49 2
            49   48  50 1
            50    7   8 1
            51    9  14 1
            52   10  18 1
            53   12  15 1
            54   21  22 1
            55   26  30 1
            56   41  43 1


entry: C08669
name: --- - Cassaidine
formula: C24H41NO4
kcf:
ATOM        29
            1   C1z C    -1.6035   -0.5793
            2   C1y C    -1.6069   -1.4103
            3   C1y C    -0.8828   -0.1690
            4   C1x C    -2.3207   -0.1690
            5   C1a C    -1.6103    0.2483
            6   C1z C    -2.3207   -1.8241
            7   C1x C    -0.8897   -1.8276
            8   C1y C    -0.1724   -0.5862
            9   C1x C    -0.8759    0.6552
            10  C1x C    -3.0379   -0.5793
            11  C1y C    -3.0379   -1.4103
            12  C1a C    -2.7414   -2.5414
            13  C1a C    -2.1069   -2.6241
            14  C1y C    -0.1759   -1.4138
            15  C1y C     0.5483   -0.1828
            16  C1x C    -0.1586    1.0655
            17  O1a O    -3.7586   -1.8207
            18  O1a O     0.5379   -1.8241
            19  C2y C     0.5552    0.6448
            20  C1a C     1.2621   -0.5931
            21  C2b C     1.2759    1.0552
            22  C7a C     1.2793    1.8793
            23  O7a O     1.9966    2.2897
            24  O7a O     0.5586    2.2897
            25  C1b C     2.7138    1.8828
            26  C1b C     3.4241    2.2966
            27  N1c N     4.1414    1.8862
            28  C1a C     4.8586    2.3000
            29  C1a C     4.1414    1.0621
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     3   8 1
            8     3   9 1
            9     4  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   11  17 1 #Up
            17   14  18 1 #Up
            18   15  19 1
            19   15  20 1 #Down
            20   19  21 2
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   27  29 1
            29    8  14 1
            30   10  11 1
            31   16  19 1


entry: C08670
name: --- - Cassaine
formula: C24H39NO4
kcf:
ATOM        29
            1   C1z C    -1.6035   -0.5793
            2   C1y C    -1.6069   -1.4103
            3   C1y C    -0.8828   -0.1690
            4   C1x C    -2.3207   -0.1690
            5   C1a C    -1.6103    0.2483
            6   C1z C    -2.3207   -1.8241
            7   C1x C    -0.8897   -1.8276
            8   C1y C    -0.1724   -0.5862
            9   C1x C    -0.8759    0.6552
            10  C1x C    -3.0379   -0.5793
            11  C1y C    -3.0379   -1.4103
            12  C1a C    -2.7414   -2.5414
            13  C1a C    -2.1069   -2.6241
            14  C5x C    -0.1759   -1.4138
            15  C1y C     0.5483   -0.1828
            16  C1x C    -0.1586    1.0655
            17  O1a O    -3.7586   -1.8207
            18  O5x O     0.5379   -1.8241
            19  C2y C     0.5552    0.6448
            20  C1a C     1.2621   -0.5931
            21  C2b C     1.2759    1.0552
            22  C7a C     1.2793    1.8793
            23  O7a O     1.9966    2.2897
            24  O7a O     0.5586    2.2897
            25  C1b C     2.7138    1.8828
            26  C1b C     3.4241    2.2966
            27  N1c N     4.1414    1.8862
            28  C1a C     4.8586    2.3000
            29  C1a C     4.1414    1.0621
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     3   8 1
            8     3   9 1
            9     4  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   11  17 1 #Up
            17   14  18 2
            18   15  19 1
            19   15  20 1 #Down
            20   19  21 2
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   27  29 1
            29    8  14 1
            30   10  11 1
            31   16  19 1


entry: C08671
name: --- - Condelphine
formula: C25H39NO6
kcf:
ATOM        32
            1   C1z C    -0.6586   -0.0483
            2   C1y C    -0.1241    0.3828
            3   C1y C    -0.6690    0.6931
            4   C1y C    -0.6586   -0.7931
            5   C1y C    -1.3000    0.3241
            6   C1y C     0.5655    0.2276
            7   C1x C    -0.1862    1.0828
            8   C1y C     0.6000   -1.0690
            9   N1y N    -1.5690   -0.4690
            10  C1z C    -1.3000   -1.1655
            11  C1x C    -0.1000   -1.2345
            12  C1x C    -1.9483   -0.0483
            13  O1a O    -1.3000    1.0690
            14  C1z C     0.9034   -0.3931
            15  C1y C     0.9276    0.8276
            16  C1y C     0.4586    1.3552
            17  C1x C    -1.6035   -1.8103
            18  C1b C    -2.2172   -0.0966
            19  C1x C    -1.9483   -0.7931
            20  C1b C    -1.0069   -1.8103
            21  C1x C     1.7655    0.0138
            22  O1a O     1.5414   -0.7621
            23  O7a O     2.1931    1.4586
            24  C1y C     1.1621    1.3586
            25  C1a C    -2.8552   -0.4690
            26  O2a O    -1.0138   -2.5552
            27  C7a C     2.8034    1.1138
            28  O2a O     1.6069    1.9621
            29  C1a C    -1.5897   -2.8793
            30  C1a C     3.4034    1.4586
            31  O7a O     2.8034    0.4138
            32  C1a C     1.3138    2.6483
BOND        37
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    6  15 1
            15    7  16 1
            16    9  17 1
            17    9  18 1
            18   10  19 1
            19   10  20 1 #Up
            20   14  21 1
            21   14  22 1 #Up
            22   15  23 1 #Down
            23   16  24 1
            24   18  25 1
            25   20  26 1
            26   23  27 1
            27   24  28 1 #Up
            28   26  29 1
            29   27  30 1
            30   27  31 2
            31   28  32 1
            32    8  11 1
            33    8  14 1
            34   10  17 1 #Down
            35   12  19 1
            36   15  16 1
            37   21  24 1


entry: C08672
name: --- - Cuauchichicine - Veatchine,15-deoxy-16,17-dihydro-15-oxo-, (16-beta,20S)-
formula: C22H33NO2
kcf:
ATOM        25
            1   C1z C    -0.3897    0.0379
            2   C1y C     0.2793    0.4138
            3   C1y C    -0.3931   -0.7310
            4   C1y C    -0.4000    0.8034
            5   C1x C    -1.0517    0.4207
            6   C1z C     0.9345    0.0276
            7   C1x C     0.2862    1.1793
            8   C1z C    -1.0517   -1.1103
            9   C1x C     0.2724   -1.1138
            10  N1y N    -1.2897   -0.3483
            11  O2x O    -1.1379    1.0035
            12  C1x C    -1.7172    0.0379
            13  C1x C     1.5931    0.4034
            14  C5x C     1.5897   -0.3552
            15  C1x C     0.9414   -0.7345
            16  C1x C     0.9483    1.5448
            17  C1x C    -1.4448   -1.7759
            18  C1x C    -1.7172   -0.7276
            19  C1a C    -0.8586   -1.8552
            20  C1x C    -2.0862    0.0655
            21  C1x C    -1.8862    0.8069
            22  C1y C     1.6035    1.1621
            23  C1y C     2.2621    0.7793
            24  O5x O     1.7897   -1.0897
            25  C1a C     2.9241    1.1690
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1 #Up
            11    5  12 1
            12    6  13 1 #Down
            13    6  14 1
            14    6  15 1
            15    7  16 1
            16    8  17 1 #Down
            17    8  18 1
            18    8  19 1 #Up
            19   10  20 1
            20   11  21 1
            21   22  13 1 #Down
            22   14  23 1
            23   14  24 2
            24   23  25 1 #Up
            25    9  15 1
            26   10  17 1
            27   12  18 1
            28   16  22 1
            29   20  21 1
            30   22  23 1


entry: C08673
name: --- - 14-Deacetylnudicauline
formula: C36H48N2O10
kcf:
ATOM        48
            1   C1z C     0.3690    1.3379
            2   C1y C     0.3690    0.5414
            3   C1y C     0.3621    2.1241
            4   C1y C     0.9379    1.7931
            5   C1y C    -0.3103    1.7276
            6   C1z C    -0.3103    0.1517
            7   C1y C     0.9655    0.0724
            8   C1z C     1.7103    0.2552
            9   N1y N    -0.5966    0.8897
            10  C1y C     1.6690    1.6241
            11  C1x C     0.8724    2.5379
            12  C1x C    -0.9966    1.3379
            13  O2a O    -0.3103    2.5207
            14  C1x C    -0.6345   -0.5310
            15  C1x C    -0.9966    0.5448
            16  C1b C    -0.0069   -0.5310
            17  O2a O     0.7931   -0.6966
            18  C1z C     2.0207    0.9759
            19  O1a O     2.1759   -0.3793
            20  C1b C    -1.3103    1.3035
            21  C1y C     2.0517    2.2655
            22  C1y C     1.5552    2.8276
            23  C1a C    -0.9931    2.9138
            24  O7a O    -0.0103   -1.3207
            25  C1a C     1.3793   -1.2276
            26  C1x C     2.9448    1.4000
            27  O1a O     2.7034    0.5828
            28  C1a C    -2.0241    0.8931
            29  O1a O     3.3897    2.9345
            30  C1y C     2.3000    2.8310
            31  C7a C    -0.6207   -1.6690
            32  O2a O     2.7724    3.4655
            33  C8y C    -0.6241   -2.3759
            34  O7a O    -1.2310   -1.3138
            35  C1a C     2.4586    4.1862
            36  C8y C    -1.2345   -2.7207
            37  C8x C    -0.0207   -2.7276
            38  N1y N    -1.8414   -2.3655
            39  C8x C    -1.2414   -3.4207
            40  C8x C    -0.0241   -3.4310
            41  C5x C    -2.0448   -1.6862
            42  C5x C    -2.4207   -2.7621
            43  C8x C    -0.6345   -3.7828
            44  C1x C    -2.7448   -1.6759
            45  O5x O    -1.6138   -1.1241
            46  C1y C    -2.9793   -2.3379
            47  O5x O    -2.4379   -3.4655
            48  C1a C    -3.6517   -2.5414
BOND        55
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   30  32 1 #Up
            32   31  33 1
            33   31  34 2
            34   32  35 1
            35   33  36 2
            36   33  37 1
            37   36  38 1
            38   36  39 1
            39   37  40 2
            40   38  41 1
            41   38  42 1
            42   39  43 2
            43   41  44 1
            44   41  45 2
            45   42  46 1
            46   42  47 2
            47   46  48 1 #Up
            48    7   8 1
            49    9  14 1
            50   10  18 1
            51   12  15 1
            52   21  22 1
            53   26  30 1
            54   40  43 1
            55   44  46 1


entry: C08674
name: --- - Delavaine A
formula: C38H54N2O11
kcf:
ATOM        51
            1   C1z C     0.6000    1.4172
            2   C1y C     0.6000    0.6172
            3   C1y C     0.5931    2.2103
            4   C1y C     1.1724    1.8793
            5   C1y C    -0.0828    1.8138
            6   C1z C    -0.0828    0.2276
            7   C1y C     1.2000    0.1483
            8   C1z C     1.9483    0.3310
            9   N1y N    -0.3690    0.9690
            10  C1y C     1.9069    1.7103
            11  C1x C     1.1069    2.6276
            12  C1x C    -0.7690    1.4172
            13  O2a O    -0.0828    2.6103
            14  C1x C    -0.4069   -0.4586
            15  C1x C    -0.7690    0.6207
            16  C1b C     0.2241   -0.4586
            17  O2a O     1.0276   -0.6241
            18  C1z C     2.2586    1.0552
            19  O1a O     2.4207   -0.3069
            20  C1b C    -1.0897    1.3828
            21  C1y C     2.2897    2.3517
            22  C1y C     1.7931    2.9172
            23  C1a C    -0.7655    3.0035
            24  O7a O     0.2207   -1.2517
            25  C1a C     1.6172   -1.1586
            26  C1x C     3.1897    1.4793
            27  O1a O     2.9483    0.6586
            28  C1a C    -1.8069    0.9690
            29  O2a O     3.6379    3.0241
            30  C1y C     2.5448    2.9207
            31  C7a C    -0.3931   -1.6000
            32  C1a C     4.2862    2.6552
            33  O2a O     3.0172    3.5586
            34  C8y C    -0.3966   -2.3138
            35  O7a O    -1.0069   -1.2448
            36  C1a C     2.7034    4.2828
            37  C8y C    -1.0138   -2.6621
            38  C8x C     0.2103   -2.6690
            39  N1b N    -1.6207   -2.3034
            40  C8x C    -1.0207   -3.3621
            41  C8x C     0.2069   -3.3724
            42  C5a C    -2.2310   -2.6517
            43  C8x C    -0.4069   -3.7276
            44  C1c C    -2.8379   -2.2966
            45  O5a O    -2.2345   -3.3448
            46  C1b C    -3.4483   -2.6448
            47  C1a C    -2.8448   -1.5931
            48  C7a C    -4.0517   -2.2931
            49  O7a O    -4.6586   -2.6414
            50  O7a O    -4.0552   -1.5862
            51  C1a C    -5.2690   -2.2862
BOND        57
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36   34  37 2
            37   34  38 1
            38   37  39 1
            39   37  40 1
            40   38  41 2
            41   39  42 1
            42   40  43 2
            43   42  44 1
            44   42  45 2
            45   44  46 1
            46   44  47 1 #Either
            47   46  48 1
            48   48  49 1
            49   48  50 2
            50   49  51 1
            51    7   8 1
            52    9  14 1
            53   10  18 1
            54   12  15 1
            55   21  22 1
            56   26  30 1
            57   41  43 1


entry: C08675
name: --- - Delcorine
formula: C26H41NO7
kcf:
ATOM        34
            1   C1z C    -0.5000    0.0966
            2   C1y C    -0.5103    0.8414
            3   C1y C    -0.5000   -0.6552
            4   C1y C     0.0379    0.5276
            5   C1y C    -1.1483    0.4724
            6   C1z C     0.7586   -0.9310
            7   N1y N    -1.4207   -0.3241
            8   C1z C    -1.1483   -1.0241
            9   C1y C     0.0621   -1.1000
            10  C1y C     0.7276    0.3759
            11  C1x C    -0.0276    1.2310
            12  C1x C    -1.8000    0.0966
            13  O2a O    -1.1483    1.2172
            14  C1z C     1.0655   -0.2483
            15  O2x O     1.3103   -1.4310
            16  C1x C    -1.4517   -1.6759
            17  C1b C    -2.0690    0.0448
            18  C1x C    -1.8000   -0.6552
            19  C1b C    -0.8552   -1.6759
            20  O1a O    -0.1000   -1.8276
            21  C1y C     1.0897    0.9759
            22  C1y C     0.6207    1.5069
            23  C1a C    -1.7966    1.5931
            24  C1x C     1.9345    0.1552
            25  O2x O     1.8069   -0.3276
            26  C1x C     1.9621   -1.0586
            27  C1a C    -2.7103   -0.3241
            28  O2a O    -0.8621   -2.4241
            29  O2a O     2.3621    1.6103
            30  C1y C     1.3276    1.5103
            31  C1a C    -1.4414   -2.7483
            32  C1a C     2.9724    1.2621
            33  O2a O     1.7724    2.1172
            34  C1a C     1.4793    2.8034
BOND        40
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     6   2 1 #Down
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    6  15 1
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   14  24 1
            24   14  25 1 #Up
            25   15  26 1
            26   17  27 1
            27   19  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   28  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   33  34 1
            34    6   9 1
            35    8  16 1 #Down
            36   10  14 1
            37   12  18 1
            38   21  22 1
            39   24  30 1
            40   25  26 1


entry: C08676
name: --- - Delcosine
formula: C24H39NO7
kcf:
ATOM        32
            1   C1z C    -0.4138    0.2345
            2   C1y C    -0.4138   -0.5103
            3   C1y C    -0.4207    0.9724
            4   C1y C     0.1207    0.6621
            5   C1y C    -1.0483    0.6069
            6   C1z C    -1.0483   -0.8759
            7   C1y C     0.1448   -0.9483
            8   C1z C     0.8414   -0.7828
            9   N1y N    -1.3241   -0.1862
            10  C1y C     0.8069    0.5069
            11  C1x C     0.0586    1.3586
            12  C1x C    -1.6965    0.2345
            13  O1a O    -1.0483    1.3448
            14  C1x C    -1.3517   -1.5172
            15  C1x C    -1.6965   -0.5103
            16  C1b C    -0.7586   -1.5172
            17  O2a O    -0.0138   -1.6724
            18  C1z C     1.1379   -0.1103
            19  O1a O     1.4000   -1.3448
            20  C1b C    -1.9655    0.1862
            21  C1y C     1.1621    1.1069
            22  C1y C     0.7034    1.6345
            23  O2a O    -0.7655   -2.2621
            24  C1a C     0.5345   -2.1724
            25  C1x C     2.0035    0.2966
            26  O1a O     1.7759   -0.4759
            27  C1a C    -2.6000   -0.1862
            28  O1a O     2.4241    1.7345
            29  C1y C     1.4034    1.6379
            30  C1a C    -1.3448   -2.5828
            31  O2a O     1.8414    2.2345
            32  C1a C     1.5483    2.9138
BOND        37
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   16  23 1
            23   17  24 1
            24   18  25 1
            25   18  26 1 #Up
            26   20  27 1
            27   21  28 1 #Down
            28   22  29 1
            29   23  30 1
            30   29  31 1 #Up
            31   31  32 1
            32    7   8 1
            33    9  14 1
            34   10  18 1
            35   12  15 1
            36   21  22 1
            37   25  29 1


entry: C08677
name: --- - Delphinine
formula: C33H45NO9
kcf:
ATOM        43
            1   C1z C    -1.3207   -0.1379
            2   C1y C    -1.3207   -0.9069
            3   C1y C    -0.7690    0.3034
            4   C1y C    -1.3310    0.6276
            5   C1y C    -1.9793    0.2448
            6   C1y C    -0.7448   -1.3655
            7   C1z C    -1.9793   -1.2897
            8   C1y C    -0.0621    0.1448
            9   C1x C    -0.8345    1.0241
            10  C1y C    -0.0241   -1.1897
            11  N1y N    -2.2621   -0.5724
            12  C1x C    -2.6483   -0.1379
            13  O2a O    -1.9793    1.0103
            14  O2a O    -0.9069   -2.1138
            15  C1x C    -2.2966   -1.9517
            16  C1x C    -2.6483   -0.9069
            17  C1b C    -1.6828   -1.9517
            18  C1z C     0.2862   -0.4931
            19  C1y C     0.3103    0.7655
            20  C1z C    -0.1655    1.3103
            21  C1a C    -2.9241   -0.1897
            22  C1a C    -2.6448    1.3966
            23  C1a C    -0.3379   -2.6310
            24  O2a O    -1.6897   -2.7207
            25  C1x C     1.1793   -0.0759
            26  O7a O     0.9448   -0.8724
            27  O7a O     1.6138    1.4138
            28  C1y C     0.5586    1.3138
            29  O1a O    -0.0069    2.0207
            30  C1a C    -2.2828   -3.0552
            31  C7a C     0.9448   -1.6379
            32  C7a C     2.2448    1.0552
            33  O2a O     1.0103    1.9310
            34  C1a C     1.6103   -2.0241
            35  O7a O     0.2793   -2.0207
            36  C8y C     2.8655    1.4138
            37  O7a O     2.2448    0.3345
            38  C1a C     0.7138    2.6345
            39  C8x C     3.4862    1.0552
            40  C8x C     2.8655    2.1345
            41  C8x C     4.1138    1.4138
            42  C8x C     3.4862    2.4966
            43  C8x C     4.1103    2.1345
BOND        49
            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     3   9 1
            9    10   4 1 #Down
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    7  15 1 #Down
            15    7  16 1
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   11  21 1
            21   13  22 1
            22   14  23 1
            23   17  24 1
            24   18  25 1
            25   18  26 1 #Up
            26   19  27 1 #Down
            27   20  28 1
            28   20  29 1 #Up
            29   24  30 1
            30   26  31 1
            31   27  32 1
            32   28  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   32  36 1
            36   32  37 2
            37   33  38 1
            38   36  39 2
            39   36  40 1
            40   39  41 1
            41   40  42 2
            42   41  43 2
            43    6  10 1
            44   10  18 1
            45   11  15 1
            46   12  16 1
            47   19  20 1
            48   25  28 1
            49   42  43 1


entry: C08678
name: --- - Delsoline
formula: C25H41NO7
kcf:
ATOM        33
            1   C1z C    -0.5069    0.1897
            2   C1y C    -0.5069   -0.5517
            3   C1y C    -0.5172    0.9345
            4   C1y C     0.0310    0.6241
            5   C1y C    -1.1448    0.5655
            6   C1z C    -1.1448   -0.9241
            7   C1y C     0.0552   -0.9966
            8   C1z C     0.7552   -0.8276
            9   N1y N    -1.4207   -0.2276
            10  C1y C     0.7172    0.4690
            11  C1x C    -0.0345    1.3241
            12  C1x C    -1.7966    0.1897
            13  O1a O    -1.1448    1.3103
            14  C1x C    -1.4552   -1.5690
            15  C1x C    -1.7966   -0.5517
            16  C1b C    -0.8586   -1.5690
            17  O2a O    -0.1069   -1.7241
            18  C1z C     1.0517   -0.1517
            19  O1a O     1.3138   -1.3897
            20  C1b C    -2.0621    0.1414
            21  C1y C     1.0759    1.0690
            22  C1y C     0.6138    1.5966
            23  O2a O    -0.8655   -2.3138
            24  C1a C     0.4448   -2.2276
            25  C1x C     1.9207    0.2517
            26  O1a O     1.6931   -0.5241
            27  C1a C    -2.7069   -0.2276
            28  O2a O     2.3414    1.7000
            29  C1y C     1.3172    1.6000
            30  C1a C    -1.4414   -2.6379
            31  C1a C     2.9552    1.3552
            32  O2a O     1.7552    2.2000
            33  C1a C     1.4690    2.8897
BOND        38
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   16  23 1
            23   17  24 1
            24   18  25 1
            25   18  26 1 #Up
            26   20  27 1
            27   21  28 1 #Down
            28   22  29 1
            29   23  30 1
            30   28  31 1
            31   29  32 1 #Up
            32   32  33 1
            33    7   8 1
            34    9  14 1
            35   10  18 1
            36   12  15 1
            37   21  22 1
            38   25  29 1


entry: C08679
formula: C27H41NO8
name:
--- 
- Deltaline
- Aconitane-6,10-diol, 20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 1,14,16-trimethoxy-, 6-acetate, (1-alpha,6-beta,14-alpha,16-beta)-

kcf:
ATOM        36
            1   C1z C    -0.6310    0.1276
            2   C1y C    -0.6414    0.8828
            3   C1z C    -0.0862    0.5621
            4   C1y C    -0.6310   -0.6241
            5   C1y C    -1.2759    0.5069
            6   C1z C     0.6379   -0.9000
            7   N1y N    -1.5552   -0.2931
            8   C1y C     0.6034    0.4069
            9   C1x C    -0.1517    1.2690
            10  O1a O     0.3586    1.0207
            11  C1y C    -0.0690   -1.0724
            12  C1z C    -1.2759   -0.9966
            13  C1x C    -1.9345    0.1276
            14  O2a O    -1.2759    1.2552
            15  C1z C     0.9414   -0.2172
            16  O2x O     1.1897   -1.4000
            17  C1x C    -1.5862   -1.6483
            18  C1b C    -2.2069    0.0759
            19  C1y C     0.9655    1.0172
            20  C1y C     0.5000    1.5483
            21  O7a O    -0.2241   -1.7759
            22  C1x C    -1.9345   -0.6241
            23  C1a C    -1.0862   -1.7172
            24  C1a C    -1.9310    1.6345
            25  C1x C     1.8172    0.1897
            26  O2x O     1.6862   -0.2966
            27  C1x C     1.8379   -1.0276
            28  C1a C    -2.8552   -0.2931
            29  O2a O     2.2448    1.6517
            30  C1y C     1.2103    1.5517
            31  C7a C     0.3069   -2.2586
            32  C1a C     2.8655    1.3000
            33  O2a O     1.6552    2.1621
            34  C1a C     0.1517   -2.9621
            35  O7a O     0.9931   -2.0414
            36  C1a C     1.3621    2.8517
BOND        42
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     6   2 1 #Down
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 1
            12    5  13 1
            13    5  14 1 #Down
            14    6  15 1
            15    6  16 1
            16    7  17 1
            17    7  18 1
            18    8  19 1
            19    9  20 1
            20   11  21 1 #Up
            21   12  22 1
            22   12  23 1 #Up
            23   14  24 1
            24   15  25 1
            25   15  26 1 #Up
            26   16  27 1
            27   18  28 1
            28   19  29 1 #Down
            29   20  30 1
            30   21  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36    6  11 1
            37    8  15 1
            38   12  17 1 #Down
            39   13  22 1
            40   19  20 1
            41   25  30 1
            42   26  27 1


entry: C08680
name: --- - Denudatine
formula: C22H33NO2
kcf:
ATOM        25
            1   C1z C    -0.3034   -0.0448
            2   C1y C     0.3483    0.3241
            3   C1y C    -0.3069    0.7034
            4   C1y C    -0.3034   -0.7897
            5   C1x C    -0.9448    0.3276
            6   C1z C     0.9897   -0.0517
            7   C1y C     0.3517    1.0690
            8   C1y C     0.9897   -0.7966
            9   N1y N    -1.1759   -0.4241
            10  C1x C     0.3379   -1.1690
            11  C1z C    -0.9448   -1.1655
            12  C1x C    -1.5931   -0.0448
            13  C1y C     1.6345    0.3103
            14  C1x C     0.6069    0.5966
            15  C1y C     1.0000    1.4345
            16  O1a O    -0.2966    1.4448
            17  C1x C    -1.3276   -1.8103
            18  C1b C    -1.8241   -0.0483
            19  C1x C    -1.5931   -0.7897
            20  C1a C    -0.7552   -1.8862
            21  C2y C     1.6414    1.0586
            22  O1a O     2.2759   -0.0552
            23  C1x C     1.3690    0.7931
            24  C1a C    -2.4655   -0.4241
            25  C2a C     2.2862    1.4345
BOND        30
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15    7  16 1 #Up
            16    9  17 1
            17    9  18 1
            18   11  19 1
            19   11  20 1 #Up
            20   13  21 1
            21   13  22 1 #Up
            22   14  23 1
            23   18  24 1
            24   21  25 2
            25    6   8 1
            26    8  10 1
            27   11  17 1 #Down
            28   12  19 1
            29   15  21 1
            30   15  23 1 #Down


entry: C08681
formula: C38H50N2O10
name:
--- 
- Elatine
- Aconitane-4-methanol, 20-ethyl-7,8-(methylenebis(oxy))-, 1,6,14,16-tetramethoxy-2-(3-methyl-2,5-dioxo-1- pyrrolidinyl)benzoate(ester), (1-alpha,6-beta,14-alpha,16-beta)-

kcf:
ATOM        50
            1   C1z C     0.2241    1.2759
            2   C1y C     0.2172    2.0621
            3   C1y C     0.2241    0.4793
            4   C1y C     0.7931    1.7310
            5   C1y C    -0.4552    1.6655
            6   C1z C     1.5655    0.1897
            7   N1y N    -0.7414    0.8276
            8   C1y C     0.8207    0.0103
            9   C1z C    -0.4552    0.0897
            10  C1y C     1.5241    1.5621
            11  C1x C     0.7276    2.4759
            12  C1x C    -1.1414    1.2759
            13  O2a O    -0.4552    2.4586
            14  C1z C     1.8759    0.9138
            15  O2x O     2.1552   -0.3276
            16  C1x C    -0.7793   -0.5931
            17  C1b C    -1.4552    1.2414
            18  O2a O     0.6483   -0.7586
            19  C1x C    -1.1414    0.4828
            20  C1b C    -0.1517   -0.5931
            21  C1y C     1.9069    2.2034
            22  C1y C     1.4103    2.7655
            23  C1a C    -1.1379    2.8517
            24  C1x C     2.8000    1.3379
            25  O2x O     2.6621    0.8414
            26  C1x C     2.8345    0.0724
            27  C1a C    -2.1690    0.8276
            28  C1a C     1.2345   -1.2897
            29  O7a O    -0.1552   -1.3828
            30  O2a O     3.2448    2.8724
            31  C1y C     2.1552    2.7690
            32  C7a C    -0.7655   -1.7310
            33  C1a C     3.8897    2.5035
            34  O2a O     2.6276    3.4034
            35  C8y C    -0.7690   -2.4379
            36  O7a O    -1.3759   -1.3759
            37  C1a C     2.3138    4.1172
            38  C8y C    -1.3793   -2.7828
            39  C8x C    -0.1655   -2.7897
            40  N1y N    -1.9862   -2.4276
            41  C8x C    -1.3862   -3.4828
            42  C8x C    -0.1690   -3.4931
            43  C5x C    -2.5655   -2.8241
            44  C5x C    -2.1897   -1.7483
            45  C8x C    -0.7793   -3.8448
            46  C1y C    -3.1241   -2.4000
            47  O5x O    -2.5828   -3.5276
            48  C1x C    -2.8897   -1.7379
            49  O5x O    -1.7586   -1.1862
            50  C1a C    -3.7966   -2.6034
BOND        58
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     6   2 1 #Down
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    6  15 1
            15    7  16 1
            16    7  17 1
            17    8  18 1 #Up
            18    9  19 1
            19    9  20 1 #Up
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   14  24 1
            24   14  25 1 #Up
            25   15  26 1
            26   17  27 1
            27   18  28 1
            28   20  29 1
            29   21  30 1 #Down
            30   22  31 1
            31   29  32 1
            32   30  33 1
            33   31  34 1 #Up
            34   32  35 1
            35   32  36 2
            36   34  37 1
            37   35  38 2
            38   35  39 1
            39   38  40 1
            40   38  41 1
            41   39  42 2
            42   40  43 1
            43   40  44 1
            44   41  45 2
            45   43  46 1
            46   43  47 2
            47   44  48 1
            48   44  49 2
            49   46  50 1 #Either
            50    6   8 1
            51    9  16 1 #Down
            52   10  14 1
            53   12  19 1
            54   21  22 1
            55   24  31 1
            56   25  26 1
            57   42  45 1
            58   46  48 1


entry: C08682
name: --- - Erythrophleguine
formula: C25H39NO6
kcf:
ATOM        32
            1   C1y C    -1.4862   -1.0759
            2   C1z C    -1.4828   -0.2448
            3   C1z C    -2.2000   -1.4862
            4   C1y C    -0.7690   -1.4897
            5   C1y C    -0.7621    0.1690
            6   C1x C    -2.2000    0.1724
            7   C1a C    -1.4897    0.5828
            8   C1x C    -2.9207   -1.0759
            9   C7a C    -2.2069   -2.3172
            10  C1a C    -2.7966   -2.0759
            11  C5x C    -0.0552   -1.0793
            12  O1a O    -0.7793   -2.3172
            13  C1y C    -0.0517   -0.2517
            14  C1x C    -0.7552    0.9966
            15  C1x C    -2.9207   -0.2448
            16  O7a O    -1.4897   -2.7345
            17  O7a O    -2.9276   -2.7276
            18  O5x O     0.6552   -1.4862
            19  C1y C     0.6655    0.1552
            20  C1x C    -0.0379    1.4000
            21  C1a C    -1.4897   -3.5586
            22  C2y C     0.6724    0.9828
            23  C1a C     1.3793   -0.2586
            24  C2b C     1.3931    1.3862
            25  C7a C     1.3966    2.2138
            26  O7a O     2.1138    2.6310
            27  O7a O     0.6759    2.6310
            28  C1b C     2.8310    2.2172
            29  C1b C     3.5448    2.6345
            30  N1c N     4.2621    2.2207
            31  C1a C     4.9793    2.6379
            32  C1a C     4.2621    1.3966
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1 #Up
            9     3  10 1 #Down
            10    4  11 1
            11    4  12 1 #Down
            12    5  13 1
            13    5  14 1
            14    6  15 1
            15    9  16 1
            16    9  17 2
            17   11  18 2
            18   13  19 1
            19   14  20 1
            20   16  21 1
            21   19  22 1
            22   19  23 1 #Down
            23   22  24 2
            24   24  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32    8  15 1
            33   11  13 1
            34   20  22 1


entry: C08683
name: --- - Falaconitine
formula: C34H47NO10
kcf:
ATOM        45
            1   C1z C    -1.4828   -0.4966
            2   C1y C    -1.4828   -1.2724
            3   C1y C    -1.4931    0.2724
            4   C1y C    -0.9276   -0.0517
            5   C1y C    -2.1448   -0.1103
            6   C1z C    -2.1448   -1.6552
            7   C1y C    -0.9034   -1.7310
            8   C1y C    -0.1793   -1.5552
            9   N1y N    -2.4310   -0.9310
            10  C1y C    -0.2172   -0.2103
            11  C1x C    -0.9931    0.6724
            12  C1x C    -2.8207   -0.4966
            13  O2a O    -2.1448    0.6586
            14  C1x C    -2.4655   -2.3207
            15  C1y C    -2.8207   -1.2724
            16  C1b C    -1.8448   -2.3207
            17  O2a O    -1.0690   -2.4828
            18  C2y C     0.1310   -0.8517
            19  C1b C    -3.0966   -0.5483
            20  C1y C     0.1552    0.4103
            21  C1z C    -0.3241    0.9586
            22  C1a C    -2.8172    1.0448
            23  O1a O    -3.4897   -1.6517
            24  O2a O    -1.8517   -3.0931
            25  C1a C    -0.4966   -3.0035
            26  C2x C     1.0276   -0.4345
            27  C1a C    -3.7621   -0.9310
            28  O7a O     1.4655    1.0621
            29  C1y C     0.4034    0.9621
            30  O1a O    -0.1621    1.6724
            31  C1a C    -2.4517   -3.4276
            32  C7a C     2.1000    0.7034
            33  O2a O     0.8586    1.5828
            34  C8y C     2.7241    1.0621
            35  O7a O     2.1000   -0.0207
            36  C1a C     0.5586    2.2897
            37  C8x C     2.7241    1.7862
            38  C8x C     3.3483    0.7034
            39  C8y C     3.3483    2.1483
            40  C8x C     3.9793    1.0621
            41  C8y C     3.9759    1.7862
            42  O2a O     3.3483    2.8690
            43  O2a O     4.5931    2.1483
            44  C1a C     3.9690    3.2241
            45  C1a C     5.2172    1.7897
BOND        51
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Down
            17    8  18 1
            18    9  19 1
            19   10  20 1
            20   11  21 1
            21   13  22 1
            22   15  23 1 #Down
            23   16  24 1
            24   17  25 1
            25   18  26 2
            26   19  27 1
            27   20  28 1 #Down
            28   21  29 1
            29   21  30 1 #Up
            30   24  31 1
            31   28  32 1
            32   29  33 1 #Up
            33   32  34 1
            34   32  35 2
            35   33  36 1
            36   34  37 1
            37   34  38 2
            38   37  39 2
            39   38  40 1
            40   39  41 1
            41   39  42 1
            42   41  43 1
            43   42  44 1
            44   43  45 1
            45    7   8 1
            46    9  14 1
            47   10  18 1
            48   12  15 1
            49   20  21 1
            50   26  29 1
            51   40  41 2


entry: C08684
name: --- - Finaconitine
formula: C33H46N2O10
kcf:
ATOM        45
            1   C1z C     0.0207    0.9793
            2   C1z C     0.5828    1.4276
            3   C1y C     0.0138    1.7517
            4   C1y C     0.0207    0.1966
            5   C1y C    -0.6448    1.3655
            6   C1z C     1.3035    1.2621
            7   C1x C     0.5207    2.1621
            8   O1a O     1.0517    1.8966
            9   C1z C     1.3448   -0.0862
            10  N1y N    -0.9276    0.5379
            11  C1z C    -0.6448   -0.1897
            12  C1x C     0.6103   -0.2655
            13  C1x C    -1.3241    0.9793
            14  O2a O    -0.6448    2.1448
            15  C1z C     1.6517    0.6207
            16  C1y C     1.6793    1.8931
            17  O1a O     2.0310    1.2655
            18  C1y C     1.1897    2.4483
            19  O1a O     1.8035   -0.7138
            20  C1x C    -0.9655   -0.8621
            21  C1b C    -1.6345    0.9448
            22  C1x C    -1.3241    0.2000
            23  C1b C    -0.3448   -0.8621
            24  C1a C    -1.3207    2.5310
            25  C1x C     2.5586    1.0414
            26  O1a O     2.3207    0.2379
            27  O2a O     3.0000    2.5517
            28  C1y C     1.9276    2.4517
            29  C1a C    -2.3345    0.5414
            30  O7a O    -0.3483   -1.6379
            31  C1a C     3.6310    2.1897
            32  O2a O     2.3897    3.0724
            33  C7a C    -0.9517   -1.9828
            34  C1a C     2.0828    3.7862
            35  C8y C    -0.9552   -2.6793
            36  O7a O    -1.5552   -1.6345
            37  C8y C    -1.5586   -3.0172
            38  C8x C    -0.3586   -3.0241
            39  C8x C    -1.5655   -3.7069
            40  N1b N    -2.1552   -2.6690
            41  C8x C    -0.3621   -3.7172
            42  C8x C    -0.9655   -4.0655
            43  C5a C    -2.7517   -3.0069
            44  C1a C    -3.3483   -2.6655
            45  O5a O    -2.7552   -3.6931
BOND        51
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     9   3 1 #Down
            9     3  10 1
            10    4  11 1
            11    4  12 1
            12    5  13 1
            13    5  14 1 #Down
            14    6  15 1
            15    6  16 1
            16    6  17 1 #Up
            17    7  18 1
            18    9  19 1
            19   10  20 1
            20   10  21 1
            21   11  22 1
            22   11  23 1 #Up
            23   14  24 1
            24   15  25 1
            25   15  26 1 #Up
            26   16  27 1 #Down
            27   18  28 1
            28   21  29 1
            29   23  30 1
            30   27  31 1
            31   28  32 1 #Up
            32   30  33 1
            33   32  34 1
            34   33  35 1
            35   33  36 2
            36   35  37 2
            37   35  38 1
            38   37  39 1
            39   37  40 1
            40   38  41 2
            41   39  42 2
            42   40  43 1
            43   43  44 1
            44   43  45 2
            45    9  12 1
            46    9  15 1
            47   11  20 1 #Down
            48   13  22 1
            49   16  18 1
            50   25  28 1
            51   41  42 1


entry: C08685
name: --- - Garryine
formula: C22H33NO2
kcf:
ATOM        25
            1   C1z C    -0.3138    0.2552
            2   C1y C     0.3414    0.6276
            3   C1y C    -0.3138   -0.4966
            4   C1x C    -0.3207    1.0138
            5   C1x C    -0.9552    0.6310
            6   C1z C     0.9897    0.2621
            7   C1x C     0.3345    1.3793
            8   C1z C    -0.9552   -0.8862
            9   C1x C     0.3414   -0.8724
            10  N1y N    -1.2966   -0.1655
            11  C1x C    -1.5966    0.2552
            12  C1x C     1.6345    0.6379
            13  C1x C     0.9931   -0.4966
            14  C1y C     1.6310   -0.1138
            15  C1x C     0.9793    1.7621
            16  C1y C    -1.2966   -1.6931
            17  C1x C    -1.5966   -0.4966
            18  C1a C    -0.7690   -1.5966
            19  C1x C    -2.0414   -0.1655
            20  C1y C     1.6345    1.3862
            21  C2y C     2.2724    1.0207
            22  O1a O     1.8448   -0.9034
            23  O2x O    -2.0414   -1.6931
            24  C1x C    -2.4069   -1.0517
            25  C2a C     2.9103    1.3931
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17    8  18 1 #Up
            18   10  19 1
            19   20  12 1 #Down
            20   14  21 1
            21   14  22 1 #Down
            22   16  23 1 #Either
            23   19  24 1
            24   21  25 2
            25    9  13 1
            26   10  16 1
            27   11  17 1
            28   15  20 1
            29   20  21 1
            30   23  24 1


entry: C08686
name: --- - Heteratisine
formula: C22H33NO5
kcf:
ATOM        28
            1   C1z C    -0.2862   -0.0172
            2   C1y C    -0.2897    0.6586
            3   C1y C     0.2379    0.4069
            4   C1y C    -0.2862   -0.6897
            5   C1y C    -0.8690    0.3241
            6   C1y C     0.9069   -0.9552
            7   N1y N    -1.1828   -0.3931
            8   C1y C     0.8966    0.2690
            9   C1x C     0.0276    1.0517
            10  C1z C    -0.8690   -1.0310
            11  C1y C     0.2483   -1.1103
            12  C1x C    -1.4517   -0.0172
            13  O2a O    -0.8724    0.9931
            14  C1z C     1.1966   -0.3414
            15  C1x C    -1.1724   -1.6793
            16  C1b C    -1.7655   -0.0552
            17  C7x C     1.3517    0.7724
            18  C1y C     0.4793    1.5517
            19  C1x C    -1.4517   -0.6897
            20  C1a C    -0.6966   -1.6793
            21  O1a O     0.2448   -1.7793
            22  C1a C    -1.4517    1.3241
            23  C1x C     2.5966    0.1621
            24  O1a O     1.7724   -0.6724
            25  C1a C    -2.3483   -0.3931
            26  O7x O     1.1414    1.4103
            27  O7x O     2.0000    0.6000
            28  C1x C     1.9035    1.9828
BOND        33
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     6   2 1 #Down
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17    9  18 1
            18   10  19 1
            19   10  20 1 #Up
            20   11  21 1 #Up
            21   13  22 1
            22   14  23 1 #Down
            23   14  24 1 #Up
            24   16  25 1
            25   17  26 1
            26   17  27 2
            27   18  28 1 #Down
            28    6  11 1
            29    8  14 1
            30   10  15 1 #Down
            31   12  19 1
            32   18  26 1
            33   23  28 1


entry: C08687
name: --- - Hetisine
formula: C20H27NO3
kcf:
ATOM        24
            1   C1z C    -0.3931   -0.1172
            2   C1y C    -0.4000    0.5414
            3   C1y C     0.2586    0.2552
            4   C1y C    -0.3931   -0.8690
            5   C1x C    -1.0483    0.2586
            6   C1y C     0.5207    0.5345
            7   N1y N    -1.0862   -0.1276
            8   C1z C     0.9103   -0.1276
            9   C1y C     0.2655    1.0138
            10  C1y C     0.2517   -1.2517
            11  C1z C    -1.0483   -1.2483
            12  C1y C    -1.7000   -0.1172
            13  C1y C     1.2517    0.7379
            14  C1x C    -1.2448   -1.9724
            15  C1x C     0.9103   -0.8759
            16  C1x C     1.5621    0.2483
            17  C1y C     0.9241    1.3828
            18  O1a O    -0.3897    1.3897
            19  C1x C    -1.7000   -0.8690
            20  C1a C    -0.8586   -1.9724
            21  O1a O    -2.3517    0.2586
            22  O1a O     1.9759    0.5414
            23  C2y C     1.5690    1.0035
            24  C2a C     2.2172    1.3793
BOND        30
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 1
            16    9  17 1
            17    9  18 1 #Down
            18   11  19 1
            19   11  20 1 #Up
            20   12  21 1 #Down
            21   13  22 1 #Down
            22   16  23 1
            23   23  24 2
            24    8   6 1 #Down
            25    7  10 1
            26   10  15 1
            27   11  14 1 #Down
            28   12  19 1
            29   13  17 1
            30   17  23 1 #Up


entry: C08688
name: --- - Hypaconitine
formula: C33H45NO10
kcf:
ATOM        44
            1   C1z C    -1.3621   -0.1276
            2   C1y C    -0.8103    0.3138
            3   C1y C    -1.3621   -0.8966
            4   C1y C    -1.3724    0.6379
            5   C1y C    -2.0207    0.2552
            6   C1y C    -0.1034    0.1552
            7   C1x C    -0.8759    1.0345
            8   C1z C    -2.0207   -1.2793
            9   C1y C    -0.7862   -1.3552
            10  C1y C    -0.0655   -1.1793
            11  N1y N    -2.3034   -0.5621
            12  C1x C    -2.6897   -0.1276
            13  O2a O    -2.0207    1.0207
            14  C1z C     0.2448   -0.4828
            15  C1y C     0.2690    0.7759
            16  C1z C    -0.2069    1.3207
            17  C1x C    -2.3379   -1.9414
            18  C1x C    -2.6897   -0.8966
            19  C1b C    -1.7241   -1.9414
            20  O2a O    -0.9483   -2.1034
            21  C1a C    -2.9655   -0.1793
            22  C1a C    -2.6862    1.4069
            23  C1y C     1.1379   -0.0655
            24  O7a O     0.9034   -0.8621
            25  O7a O     1.5724    1.4241
            26  C1y C     0.5172    1.3241
            27  O1a O    -0.0483    2.0310
            28  O2a O    -1.7310   -2.7103
            29  C1a C    -0.3793   -2.6207
            30  O1a O     1.8069   -0.4414
            31  C7a C     0.9034   -1.6276
            32  C7a C     2.2034    1.0655
            33  O2a O     0.9690    1.9414
            34  C1a C    -2.3241   -3.0448
            35  C1a C     1.5690   -2.0138
            36  O7a O     0.2379   -2.0103
            37  C8y C     2.8241    1.4241
            38  O7a O     2.2034    0.3448
            39  C1a C     0.6724    2.6448
            40  C8x C     3.4448    1.0655
            41  C8x C     2.8241    2.1448
            42  C8x C     4.0724    1.4241
            43  C8x C     3.4448    2.5069
            44  C8x C     4.0690    2.1448
BOND        50
            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     3   9 1
            9    10   4 1 #Down
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    6  15 1
            15    7  16 1
            16    8  17 1 #Down
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Down
            20   11  21 1
            21   13  22 1
            22   14  23 1
            23   14  24 1 #Up
            24   15  25 1 #Down
            25   16  26 1
            26   16  27 1 #Up
            27   19  28 1
            28   20  29 1
            29   23  30 1 #Down
            30   24  31 1
            31   25  32 1
            32   26  33 1 #Up
            33   28  34 1
            34   31  35 1
            35   31  36 2
            36   32  37 1
            37   32  38 2
            38   33  39 1
            39   37  40 2
            40   37  41 1
            41   40  42 1
            42   41  43 2
            43   42  44 2
            44    9  10 1
            45   10  14 1
            46   11  17 1
            47   12  18 1
            48   15  16 1
            49   23  26 1
            50   43  44 1


entry: C08689
name: --- - Icaceine
formula: C22H33NO4
kcf:
ATOM        27
            1   C1y C    -0.7828   -0.8897
            2   C1z C    -0.8310   -0.1345
            3   C1y C    -0.1138   -1.3793
            4   C1z C    -1.4517   -1.3793
            5   C1y C    -0.1138    0.2724
            6   C1x C    -1.5414    0.2759
            7   C1a C    -0.8379    0.6897
            8   C2x C     0.5897   -0.9655
            9   O7x O    -0.3724   -2.1621
            10  C7x C    -1.1966   -2.1621
            11  C1y C    -2.2586   -0.9621
            12  C1a C    -2.1345   -1.9586
            13  C2y C     0.5931   -0.1448
            14  C1x C    -0.1069    1.0966
            15  C1x C    -2.2586   -0.1345
            16  O7x O    -1.7828   -2.7448
            17  O1a O    -2.9759   -1.3690
            18  C1y C     1.3069    0.2655
            19  C1x C     0.6069    1.5000
            20  C1z C     1.3138    1.0828
            21  O2x O     2.0828    0.0034
            22  C1y C     2.0966    1.3310
            23  C1a C     1.3069    1.9103
            24  C1x C     2.5724    0.6621
            25  N1c N     2.0862    2.1724
            26  C1a C     2.8172    2.5586
            27  C1a C     1.3828    2.5655
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Down
            12    5  13 1
            13    5  14 1
            14    6  15 1
            15   10  16 2
            16   11  17 1 #Up
            17   13  18 1
            18   14  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 1
            22   20  23 1 #Either
            23   21  24 1
            24   22  25 1 #Either
            25   25  26 1
            26   25  27 1
            27    8  13 2
            28    9  10 1
            29   11  15 1
            30   19  20 1
            31   22  24 1


entry: C08690
name: --- - Icacine
formula: C22H31NO6
kcf:
ATOM        29
            1   C1z C     0.5966   -0.1103
            2   C1y C    -0.1034    0.3000
            3   C1y C     0.5931   -0.9172
            4   C1y C     1.2966    0.2897
            5   O2x O     1.2897   -0.5069
            6   C1z C    -0.8069   -0.1034
            7   C1x C    -0.0966    1.1138
            8   C1y C    -0.1034   -1.3241
            9   C1z C     1.3103    1.1035
            10  O2x O     2.0655    0.0310
            11  C1y C    -0.7586   -0.8414
            12  C1x C    -1.5069    0.3034
            13  C1x C    -0.8138    0.7103
            14  C1x C     0.6103    1.5103
            15  O7x O    -0.3552   -2.0931
            16  C1y C     2.0793    1.3414
            17  C1a C     1.3035    1.9138
            18  C1x C     2.5483    0.6793
            19  C1z C    -1.4207   -1.3241
            20  C1x C    -2.2138   -0.1034
            21  O2x O    -1.6379   -0.3345
            22  C7x C    -1.1690   -2.0931
            23  N1c N     2.0862    2.1517
            24  C1z C    -2.2138   -0.9138
            25  C1a C    -2.0897   -1.8966
            26  O7x O    -1.7517   -2.6690
            27  C1a C     2.7931    2.5483
            28  C1a C     1.3793    2.5552
            29  O1a O    -2.9172   -1.3172
BOND        35
            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     4   9 1
            9     4  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1 #Up
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16    9  17 1 #Down
            17   10  18 1
            18   11  19 1
            19   12  20 1
            20   13  21 1
            21   15  22 1
            22   16  23 1 #Up
            23   19  24 1
            24   19  25 1 #Down
            25   22  26 2
            26   23  27 1
            27   23  28 1
            28   24  29 1
            29    3   5 1 #Up
            30    8  11 1
            31    9  14 1
            32   16  18 1
            33   19  22 1
            34   20  24 1
            35   24  21 1 #Up


entry: C08691
name: --- - Indaconitine
formula: C34H47NO10
kcf:
ATOM        45
            1   C1z C    -1.1655   -0.0966
            2   C1y C    -1.1655   -0.8655
            3   C1y C    -1.1759    0.6690
            4   C1y C    -0.6138    0.3448
            5   C1y C    -1.8276    0.2862
            6   C1z C    -1.8276   -1.2483
            7   C1y C    -0.5897   -1.3241
            8   C1y C     0.1310   -1.1483
            9   N1y N    -2.1069   -0.5310
            10  C1y C     0.0931    0.1862
            11  C1x C    -0.6793    1.0655
            12  C1x C    -2.4966   -0.0966
            13  O2a O    -1.8276    1.0517
            14  C1x C    -2.1414   -1.9103
            15  C1y C    -2.4966   -0.8655
            16  C1b C    -1.5276   -1.9103
            17  O2a O    -0.7552   -2.0724
            18  C1z C     0.4414   -0.4517
            19  C1b C    -2.7690   -0.1483
            20  C1y C     0.4655    0.8069
            21  C1z C    -0.0138    1.3517
            22  C1a C    -2.4931    1.4379
            23  O1a O    -3.1586   -1.2483
            24  O2a O    -1.5345   -2.6793
            25  C1a C    -0.1862   -2.5897
            26  C1x C     1.3345   -0.0345
            27  O7a O     1.1000   -0.8310
            28  C1a C    -3.4345   -0.5310
            29  O7a O     1.7690    1.4552
            30  C1y C     0.7103    1.3552
            31  O1a O     0.1483    2.0621
            32  C1a C    -2.1276   -3.0138
            33  C7a C     1.1000   -1.5966
            34  C7a C     2.3966    1.0966
            35  O2a O     1.1655    1.9724
            36  C1a C     1.7655   -1.9828
            37  O7a O     0.4345   -1.9793
            38  C8y C     3.0207    1.4552
            39  O7a O     2.3966    0.3759
            40  C1a C     0.8655    2.6759
            41  C8x C     3.6414    1.0966
            42  C8x C     3.0207    2.1759
            43  C8x C     4.2690    1.4552
            44  C8x C     3.6414    2.5379
            45  C8x C     4.2655    2.1759
BOND        51
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Down
            17    8  18 1
            18    9  19 1
            19   10  20 1
            20   11  21 1
            21   13  22 1
            22   15  23 1 #Down
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   19  28 1
            28   20  29 1 #Down
            29   21  30 1
            30   21  31 1 #Up
            31   24  32 1
            32   27  33 1
            33   29  34 1
            34   30  35 1 #Up
            35   33  36 1
            36   33  37 2
            37   34  38 1
            38   34  39 2
            39   35  40 1
            40   38  41 2
            41   38  42 1
            42   41  43 1
            43   42  44 2
            44   43  45 2
            45    7   8 1
            46    9  14 1
            47   10  18 1
            48   12  15 1
            49   20  21 1
            50   26  30 1
            51   44  45 1


entry: C08692
name: --- - Jesaconitine
formula: C35H49NO12
kcf:
ATOM        48
            1   C1z C    -1.4345   -0.1862
            2   C1y C    -1.4345   -0.9586
            3   C1y C    -0.8759    0.2586
            4   C1y C    -1.4448    0.5828
            5   C1y C    -2.0966    0.2000
            6   C1z C    -2.0966   -1.3414
            7   C1y C    -0.8552   -1.4172
            8   C1y C    -0.1655    0.1000
            9   C1x C    -0.9414    0.9828
            10  C1y C    -0.1276   -1.2414
            11  N1y N    -2.3793   -0.6207
            12  C1x C    -2.7690   -0.1862
            13  O2a O    -2.0966    0.9690
            14  C1x C    -2.4138   -2.0103
            15  C1y C    -2.7690   -0.9586
            16  C1b C    -1.7966   -2.0103
            17  O2a O    -1.0207   -2.1724
            18  C1z C     0.1828   -0.5414
            19  C1y C     0.2069    0.7207
            20  C1z C    -0.2724    1.2690
            21  C1b C    -3.0448   -0.2379
            22  C1a C    -2.7655    1.3552
            23  O1a O    -3.4345   -1.3414
            24  O2a O    -1.8035   -2.7828
            25  C1a C    -0.4448   -2.6931
            26  C1y C     1.0793   -0.1241
            27  O7a O     0.8448   -0.9241
            28  O7a O     1.5172    1.3724
            29  C1y C     0.4552    1.2724
            30  O1a O    -0.1103    1.9828
            31  C1a C    -3.7103   -0.6207
            32  C1a C    -2.4000   -3.1172
            33  O1a O     1.7517   -0.5000
            34  C7a C     0.8448   -1.6965
            35  C7a C     2.1483    1.0138
            36  O2a O     0.9103    1.8931
            37  C1a C     1.5138   -2.0828
            38  O7a O     0.1759   -2.0793
            39  C8y C     2.7724    1.3724
            40  O7a O     2.1483    0.2897
            41  C1a C     0.6103    2.6034
            42  C8x C     3.4000    1.0138
            43  C8x C     2.7724    2.0966
            44  C8x C     4.0310    1.3724
            45  C8x C     3.4000    2.4586
            46  C8y C     4.0276    2.0966
            47  O2a O     4.6448    2.4586
            48  C1a C     5.2690    2.1000
BOND        54
            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     3   9 1
            9    10   4 1 #Down
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Down
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   11  21 1
            21   13  22 1
            22   15  23 1 #Down
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   19  28 1 #Down
            28   20  29 1
            29   20  30 1 #Up
            30   21  31 1
            31   24  32 1
            32   26  33 1 #Down
            33   27  34 1
            34   28  35 1
            35   29  36 1 #Up
            36   34  37 1
            37   34  38 2
            38   35  39 1
            39   35  40 2
            40   36  41 1
            41   39  42 2
            42   39  43 1
            43   42  44 1
            44   43  45 2
            45   44  46 2
            46   46  47 1
            47   47  48 1
            48    7  10 1
            49   10  18 1
            50   11  14 1
            51   12  15 1
            52   19  20 1
            53   26  29 1
            54   45  46 1


entry: C08693
formula: C22H35NO4
name:
--- 
- Karakoline
- Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-

kcf:
ATOM        27
            1   C1z C    -0.4138   -0.1379
            2   C1y C    -0.4241    0.5931
            3   C1y C     0.1103    0.2862
            4   C1y C    -0.4138   -0.8690
            5   C1y C    -1.0379    0.2310
            6   C1y C     0.8241   -1.1345
            7   N1y N    -1.3103   -0.5483
            8   C1y C     0.7862    0.1345
            9   C1x C     0.0517    0.9724
            10  C1z C    -1.0379   -1.2310
            11  C1x C     0.1345   -1.3035
            12  C1x C    -1.6793   -0.1379
            13  O1a O    -1.0379    0.9586
            14  C1z C     1.1172   -0.4724
            15  C1x C    -1.3414   -1.8621
            16  C1b C    -1.9379   -0.1862
            17  C1y C     1.1414    0.7241
            18  C1y C     0.6862    1.2448
            19  C1x C    -1.6793   -0.8690
            20  C1a C    -0.7552   -1.8621
            21  C1x C     1.9690   -0.0759
            22  O1a O     1.7448   -0.8345
            23  C1a C    -2.5724   -0.5483
            24  O1a O     2.3828    1.3414
            25  C1y C     1.3724    1.2448
            26  O2a O     1.8069    1.8345
            27  C1a C     1.5241    2.5035
BOND        32
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     6   2 1 #Down
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17    9  18 1
            18   10  19 1
            19   10  20 1 #Up
            20   14  21 1
            21   14  22 1 #Up
            22   16  23 1
            23   17  24 1 #Down
            24   18  25 1
            25   25  26 1 #Up
            26   26  27 1
            27    6  11 1
            28    8  14 1
            29   10  15 1 #Down
            30   12  19 1
            31   17  18 1
            32   21  25 1


entry: C08694
name: --- - Lappaconitine
formula: C32H44N2O8
kcf:
ATOM        42
            1   C1z C     0.1414    0.8448
            2   C1y C     0.1414    0.0655
            3   C1y C     0.1345    1.6103
            4   C1y C     0.6966    1.2862
            5   C1y C    -0.5241    1.2207
            6   C1z C    -0.5241   -0.3138
            7   C1x C     0.7241   -0.3897
            8   C1y C     1.4483   -0.2138
            9   N1y N    -0.8000    0.4034
            10  C1z C     1.4069    1.1241
            11  C1x C     0.6310    2.0172
            12  C1x C    -1.1931    0.8448
            13  O2a O    -0.5241    2.0000
            14  C1x C    -0.8379   -0.9793
            15  C1x C    -1.1931    0.0690
            16  O7a O    -0.4172   -1.3138
            17  C1z C     1.7483    0.4897
            18  C1b C    -1.5000    0.8103
            19  C1y C     1.7793    1.7483
            20  O1a O     2.1276    1.1276
            21  C1y C     1.2966    2.2966
            22  C1a C    -1.1897    2.3793
            23  C7a C    -1.0138   -1.6552
            24  C1x C     2.6517    0.9034
            25  O1a O     2.4172    0.1069
            26  C1a C    -2.1966    0.4069
            27  O2a O     3.0862    2.4000
            28  C1y C     2.0241    2.3000
            29  C8y C    -1.0172   -2.3448
            30  O7a O    -1.6069   -1.3069
            31  C1a C     3.7138    2.0379
            32  O2a O     2.4862    2.9172
            33  C8y C    -1.6103   -2.6828
            34  C8x C    -0.4276   -2.6897
            35  C1a C     2.1793    3.6207
            36  C8x C    -1.6172   -3.3655
            37  N1b N    -2.2069   -2.3345
            38  C8x C    -0.4310   -3.3759
            39  C8x C    -1.0276   -3.7207
            40  C5a C    -2.7966   -2.6724
            41  C1a C    -3.3828   -2.3276
            42  O5a O    -2.8000   -3.3517
BOND        48
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    8  17 1
            17    9  18 1
            18   10  19 1
            19   10  20 1 #Up
            20   11  21 1
            21   13  22 1
            22   16  23 1
            23   17  24 1
            24   17  25 1 #Up
            25   18  26 1
            26   19  27 1 #Down
            27   21  28 1
            28   23  29 1
            29   23  30 2
            30   27  31 1
            31   28  32 1 #Up
            32   29  33 2
            33   29  34 1
            34   32  35 1
            35   33  36 1
            36   33  37 1
            37   34  38 2
            38   36  39 2
            39   37  40 1
            40   40  41 1
            41   40  42 2
            42    7   8 1
            43    9  14 1
            44   10  17 1
            45   12  15 1
            46   19  21 1
            47   24  28 1
            48   38  39 1


entry: C08695
name: --- - Lindheimerine
formula: C22H31NO2
kcf:
ATOM        25
            1   C1z C     0.4793    0.3586
            2   C1y C    -0.2138    0.7517
            3   C1y C     1.1828   -0.0517
            4   C1x C     1.1690    0.7621
            5   C1x C     0.4793   -0.4483
            6   C1z C    -0.9034    0.3517
            7   C1x C    -0.2207    1.5517
            8   C2y C     1.8690    1.1552
            9   O7a O     1.8586   -0.4448
            10  C1y C     1.1621    1.5621
            11  C1x C    -0.2138   -0.8517
            12  C1y C    -0.9034   -0.4517
            13  C1x C    -1.5897    0.7517
            14  C2x C    -1.4931    0.3931
            15  C1x C     0.4690    1.9586
            16  C2a C     2.5759    1.5690
            17  C7a C     1.8586   -1.2310
            18  C1z C    -1.5897   -0.8621
            19  C1x C    -2.2759    0.3517
            20  N2x N    -1.8724   -0.2207
            21  C1a C     2.5448   -1.6276
            22  O7a O     1.1759   -1.6276
            23  C1x C    -2.2759   -0.4552
            24  C1x C    -1.8759   -1.6379
            25  C1a C    -1.3897   -1.6207
BOND        29
            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     3   9 1 #Up
            9    10   4 1 #Down
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15    8  16 2
            16    9  17 1
            17   12  18 1
            18   13  19 1
            19   14  20 2
            20   17  21 1
            21   17  22 2
            22   18  23 1
            23   18  24 1 #Down
            24   18  25 1 #Up
            25    8  10 1
            26   10  15 1
            27   11  12 1
            28   19  23 1
            29   20  24 1


entry: C08696
name: --- - Lycaconitine
formula: C36H48N2O10
kcf:
ATOM        48
            1   C1z C     0.2069    1.2310
            2   C1y C     0.2069    0.4379
            3   C1y C     0.2034    2.0103
            4   C1y C     0.7759    1.6793
            5   C1y C    -0.4690    1.6138
            6   C1z C    -0.4690    0.0483
            7   C1y C     0.8034   -0.0310
            8   C1z C     1.5414    0.1483
            9   N1y N    -0.7517    0.7828
            10  C1y C     1.5035    1.5103
            11  C1x C     0.7103    2.4207
            12  C1x C    -1.1517    1.2310
            13  O2a O    -0.4690    2.4035
            14  C1x C    -0.7897   -0.6310
            15  C1x C    -1.1517    0.4414
            16  C1b C    -0.1655   -0.6310
            17  O2a O     0.6310   -0.7966
            18  C1z C     1.8552    0.8690
            19  O1a O     2.1276   -0.3690
            20  C1b C    -1.4621    1.1931
            21  C1y C     1.8828    2.1517
            22  C1y C     1.3897    2.7103
            23  C1a C    -1.1483    2.7966
            24  O7a O    -0.1690   -1.4172
            25  C1a C     1.2138   -1.3241
            26  C1x C     2.7690    1.2931
            27  O1a O     2.4310    0.2897
            28  C1a C    -2.1724    0.7828
            29  O2a O     3.2138    2.8172
            30  C1y C     2.1310    2.7138
            31  C7a C    -0.7759   -1.7655
            32  C1a C     3.8552    2.4483
            33  O2a O     2.6034    3.3448
            34  C8y C    -0.7793   -2.4690
            35  O7a O    -1.3862   -1.4103
            36  C1a C     2.2897    4.0621
            37  C8y C    -1.3897   -2.8069
            38  C8x C    -0.1793   -2.8138
            39  N1y N    -1.9897   -2.4586
            40  C8x C    -1.3966   -3.5069
            41  C8x C    -0.1828   -3.5172
            42  C5x C    -2.1931   -1.7828
            43  C5x C    -2.5655   -2.8483
            44  C8x C    -0.7897   -3.8655
            45  C1x C    -2.8897   -1.7724
            46  O5x O    -1.7621   -1.2207
            47  C1x C    -3.1207   -2.4310
            48  O5x O    -2.5828   -3.5517
BOND        55
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36   34  37 2
            37   34  38 1
            38   37  39 1
            39   37  40 1
            40   38  41 2
            41   39  42 1
            42   39  43 1
            43   40  44 2
            44   42  45 1
            45   42  46 2
            46   43  47 1
            47   43  48 2
            48    7   8 1
            49    9  14 1
            50   10  18 1
            51   12  15 1
            52   21  22 1
            53   26  30 1
            54   41  44 1
            55   45  47 1


entry: C08697
name: --- - Lycoctonine
formula: C25H41NO7
kcf:
ATOM        33
            1   C1z C    -0.4931    0.0586
            2   C1y C    -0.4931   -0.6897
            3   C1y C    -0.5034    0.8034
            4   C1y C     0.0483    0.4862
            5   C1y C    -1.1276    0.4345
            6   C1y C     0.0724   -1.1310
            7   C1z C    -1.1276   -1.0552
            8   C1z C     0.7724   -0.9586
            9   N1y N    -1.4034   -0.3586
            10  C1y C     0.7345    0.3379
            11  C1x C    -0.0172    1.1931
            12  C1x C    -1.7828    0.0586
            13  O2a O    -1.1276    1.1793
            14  O2a O    -0.0897   -1.8586
            15  C1x C    -1.4379   -1.7000
            16  C1x C    -1.7828   -0.6897
            17  C1b C    -0.8414   -1.7000
            18  C1z C     1.0690   -0.2828
            19  O1a O     1.3310   -1.5207
            20  C1b C    -2.0448    0.0103
            21  C1y C     1.0931    0.9379
            22  C1y C     0.6310    1.4655
            23  C1a C    -1.7793    1.5483
            24  C1a C     0.4621   -2.3586
            25  O1a O    -1.0276   -2.3793
            26  C1x C     1.9379    0.1207
            27  O1a O     1.7103   -0.6552
            28  C1a C    -2.6897   -0.3586
            29  O2a O     2.3586    1.5655
            30  C1y C     1.3345    1.4690
            31  C1a C     2.9690    1.2172
            32  O2a O     1.7724    2.0690
            33  C1a C     1.4862    2.7517
BOND        38
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Up
            14    7  15 1 #Down
            15    7  16 1
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   14  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   29  31 1
            31   30  32 1 #Up
            32   32  33 1
            33    6   8 1
            34    9  15 1
            35   10  18 1
            36   12  16 1
            37   21  22 1
            38   26  30 1


entry: C08698
name: --- - Mesaconitine
formula: C33H45NO11
kcf:
ATOM        45
            1   C1z C    -1.2897   -0.1000
            2   C1y C    -1.2862   -0.8690
            3   C1y C    -0.7345    0.3448
            4   C1y C    -1.2966    0.6690
            5   C1y C    -1.9517    0.2828
            6   C1z C    -1.9517   -1.2483
            7   C1y C    -0.7138   -1.3276
            8   C1y C    -0.0276    0.1862
            9   C1x C    -0.8034    1.0655
            10  C1y C     0.0103   -1.1483
            11  N1y N    -2.2310   -0.5310
            12  C1x C    -2.6172   -0.1000
            13  O2a O    -1.9517    1.0517
            14  C1x C    -2.2621   -1.9103
            15  C1y C    -2.6172   -0.8655
            16  C1b C    -1.6517   -1.9103
            17  O2a O    -0.8759   -2.0724
            18  C1z C     0.3172   -0.4517
            19  C1y C     0.3414    0.8069
            20  C1z C    -0.1345    1.3517
            21  C1a C    -2.8931   -0.1483
            22  C1a C    -2.6138    1.4345
            23  O1a O    -3.2828   -1.2483
            24  O2a O    -1.6586   -2.6793
            25  C1a C    -0.3069   -2.5931
            26  C1y C     1.2103   -0.0379
            27  O7a O     0.9793   -0.8310
            28  O7a O     1.6448    1.4517
            29  C1y C     0.5862    1.3552
            30  O1a O     0.0241    2.0586
            31  C1a C    -2.2517   -3.0172
            32  O1a O     1.8828   -0.4138
            33  C7a C     0.9793   -1.6000
            34  C7a C     2.2759    1.0966
            35  O2a O     1.0414    1.9690
            36  C1a C     1.6414   -1.9828
            37  O7a O     0.3138   -1.9828
            38  C8y C     2.9000    1.4552
            39  O7a O     2.2759    0.3759
            40  C1a C     0.7414    2.6759
            41  C8x C     3.5207    1.0966
            42  C8x C     2.9000    2.1759
            43  C8x C     4.1448    1.4552
            44  C8x C     3.5207    2.5379
            45  C8x C     4.1448    2.1759
BOND        51
            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     3   9 1
            9    10   4 1 #Down
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Down
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   11  21 1
            21   13  22 1
            22   15  23 1 #Down
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   19  28 1 #Down
            28   20  29 1
            29   20  30 1 #Up
            30   24  31 1
            31   26  32 1 #Down
            32   27  33 1
            33   28  34 1
            34   29  35 1 #Up
            35   33  36 1
            36   33  37 2
            37   34  38 1
            38   34  39 2
            39   35  40 1
            40   38  41 2
            41   38  42 1
            42   41  43 1
            43   42  44 2
            44   43  45 2
            45    7  10 1
            46   10  18 1
            47   11  14 1
            48   12  15 1
            49   19  20 1
            50   26  29 1
            51   44  45 1


entry: C08699
name: --- - Methyllycaconitine
formula: C37H50N2O10
kcf:
ATOM        49
            1   C1z C     0.2862    1.2897
            2   C1y C     0.2862    0.4931
            3   C1y C     0.2793    2.0759
            4   C1y C     0.8552    1.7448
            5   C1y C    -0.3931    1.6793
            6   C1z C    -0.3931    0.1034
            7   C1y C     0.8828    0.0241
            8   C1z C     1.6276    0.2034
            9   N1y N    -0.6793    0.8414
            10  C1y C     1.5862    1.5759
            11  C1x C     0.7897    2.4897
            12  C1x C    -1.0793    1.2897
            13  O2a O    -0.3931    2.4724
            14  C1x C    -0.7172   -0.5793
            15  C1x C    -1.0793    0.4966
            16  C1b C    -0.0897   -0.5793
            17  O2a O     0.7103   -0.7448
            18  C1z C     1.9379    0.9276
            19  O1a O     2.2172   -0.3172
            20  C1b C    -1.3931    1.2517
            21  C1y C     1.9690    2.2172
            22  C1y C     1.4724    2.7793
            23  C1a C    -1.0759    2.8655
            24  O7a O    -0.0931   -1.3690
            25  C1a C     1.2966   -1.2759
            26  C1x C     2.8621    1.3517
            27  O1a O     2.5207    0.3448
            28  C1a C    -2.1069    0.8414
            29  O2a O     3.3069    2.8862
            30  C1y C     2.2172    2.7828
            31  C7a C    -0.7034   -1.7172
            32  C1a C     3.9517    2.5172
            33  O2a O     2.6897    3.4172
            34  C8y C    -0.7069   -2.4241
            35  O7a O    -1.3138   -1.3621
            36  C1a C     2.3759    4.1379
            37  C8y C    -1.3172   -2.7690
            38  C8x C    -0.1034   -2.7759
            39  N1y N    -1.9241   -2.4138
            40  C8x C    -1.3241   -3.4690
            41  C8x C    -0.1069   -3.4793
            42  C5x C    -2.1276   -1.7345
            43  C5x C    -2.5035   -2.8103
            44  C8x C    -0.7172   -3.8310
            45  C1x C    -2.8276   -1.7241
            46  O5x O    -1.6965   -1.1724
            47  C1y C    -3.0621   -2.3862
            48  O5x O    -2.5207   -3.5138
            49  C1a C    -3.7345   -2.5897
BOND        56
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36   34  37 2
            37   34  38 1
            38   37  39 1
            39   37  40 1
            40   38  41 2
            41   39  42 1
            42   39  43 1
            43   40  44 2
            44   42  45 1
            45   42  46 2
            46   43  47 1
            47   43  48 2
            48   47  49 1 #Either
            49    7   8 1
            50    9  14 1
            51   10  18 1
            52   12  15 1
            53   21  22 1
            54   26  30 1
            55   41  44 1
            56   45  47 1


entry: C08700
name: --- - Napelline
formula: C22H33NO3
kcf:
ATOM        26
            1   C1z C    -0.3828    0.0034
            2   C1y C     0.2552    0.3655
            3   C1y C    -0.3897    0.6034
            4   C1y C    -0.3828   -0.7414
            5   C1y C    -1.0103    0.3690
            6   C1z C     0.8966    0.0103
            7   C1x C     0.2517    1.1000
            8   C1y C     0.8966   -0.7414
            9   N1y N    -1.3448   -0.4103
            10  C1z C    -1.0103   -1.1172
            11  C1x C     0.2586   -1.1103
            12  C1x C    -1.6379    0.0034
            13  O1a O    -1.0207    1.0966
            14  C1x C     1.5345    0.3759
            15  C1y C     1.5172   -0.3552
            16  C1y C     0.8862    1.4724
            17  C1x C    -1.3483   -1.9103
            18  C1b C    -1.9724   -0.0517
            19  C1x C    -1.6379   -0.7414
            20  C1a C    -0.8241   -1.8172
            21  C1y C     1.5207    1.1069
            22  C2y C     2.1483    0.7483
            23  O1a O     1.7379   -1.1621
            24  O1a O     0.8862    2.2069
            25  C1a C    -2.6034   -0.4138
            26  C2a C     2.7724    1.1172
BOND        31
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    7  16 1
            16    9  17 1
            17    9  18 1
            18   10  19 1
            19   10  20 1 #Up
            20   21  14 1 #Down
            21   15  22 1
            22   15  23 1 #Up
            23   16  24 1 #Down
            24   18  25 1
            25   22  26 2
            26    6   8 1
            27    8  11 1
            28   10  17 1 #Down
            29   12  19 1
            30   16  21 1
            31   21  22 1


entry: C08701
name: --- - Norerythrostachaldine
formula: C23H37NO5
kcf:
ATOM        29
            1   C1y C    -0.6724   -0.0310
            2   C1z C    -1.3931   -0.4414
            3   C1y C     0.0414   -0.4483
            4   C1x C    -0.6655    0.7966
            5   C1y C    -1.3966   -1.2690
            6   C1x C    -2.1103   -0.0276
            7   C1a C    -1.4000    0.3897
            8   C1y C     0.0414   -1.2759
            9   C1y C     0.7621   -0.0448
            10  C1x C     0.0552    1.2034
            11  C1z C    -2.1103   -1.6862
            12  C1x C    -0.6793   -1.6897
            13  C1x C    -2.8241   -0.4414
            14  O1a O     0.7552   -1.6897
            15  C2y C     0.7690    0.7828
            16  C1a C     1.4759   -0.4552
            17  C1y C    -2.8241   -1.2690
            18  C4a C    -2.1138   -2.5103
            19  C1a C    -2.7000   -2.2690
            20  C2b C     1.4862    1.1931
            21  O1a O    -3.5448   -1.6828
            22  O4a O    -1.3966   -2.9241
            23  C7a C     1.4897    2.0172
            24  O7a O     2.2069    2.4310
            25  O7a O     0.7690    2.4310
            26  C1b C     2.9241    2.0207
            27  C1b C     3.6379    2.4345
            28  N1b N     4.3552    2.0241
            29  C1a C     5.0690    2.4379
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1 #Up
            14    9  15 1
            15    9  16 1 #Down
            16   11  17 1
            17   11  18 1 #Up
            18   11  19 1 #Down
            19   15  20 2
            20   17  21 1 #Up
            21   18  22 2
            22   20  23 1
            23   23  24 1
            24   23  25 2
            25   24  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29    8  12 1
            30   10  15 1
            31   13  17 1


entry: C08702
name: --- - Nudicauline
formula: C38H50N2O11
kcf:
ATOM        51
            1   C1z C     0.1207    1.1966
            2   C1y C     0.1207    0.4000
            3   C1y C     0.1138    1.9828
            4   C1y C     0.6897    1.6517
            5   C1y C    -0.5586    1.5862
            6   C1z C    -0.5586    0.0103
            7   C1y C     0.7172   -0.0690
            8   C1z C     1.4586    0.1103
            9   N1y N    -0.8448    0.7483
            10  C1y C     1.4207    1.4828
            11  C1x C     0.6241    2.3966
            12  C1x C    -1.2448    1.1966
            13  O2a O    -0.5586    2.3793
            14  C1x C    -0.8828   -0.6724
            15  C1x C    -1.2448    0.4034
            16  C1b C    -0.2552   -0.6724
            17  O2a O     0.5448   -0.8379
            18  C1z C     1.7724    0.8345
            19  O1a O     2.0517   -0.4103
            20  C1b C    -1.5586    1.1621
            21  C1y C     1.8035    2.1241
            22  C1y C     1.3069    2.6862
            23  C1a C    -1.2414    2.7724
            24  O7a O    -0.2586   -1.4621
            25  C1a C     1.1310   -1.3690
            26  C1x C     2.6966    1.2586
            27  O1a O     2.3517    0.2517
            28  C1a C    -2.2724    0.7483
            29  O7a O     3.1414    2.7931
            30  C1y C     2.0517    2.6897
            31  C7a C    -0.8690   -1.8103
            32  C7a C     3.7862    2.4241
            33  O2a O     2.5241    3.3241
            34  C8y C    -0.8724   -2.5172
            35  O7a O    -1.4793   -1.4552
            36  C1a C     4.4276    2.8034
            37  O7a O     3.7828    1.6862
            38  C1a C     2.2103    4.0448
            39  C8y C    -1.4828   -2.8621
            40  C8x C    -0.2690   -2.8690
            41  N1y N    -2.0897   -2.5069
            42  C8x C    -1.4897   -3.5621
            43  C8x C    -0.2724   -3.5724
            44  C5x C    -2.2931   -1.8276
            45  C5x C    -2.6690   -2.9035
            46  C8x C    -0.8828   -3.9241
            47  C1x C    -2.9931   -1.8172
            48  O5x O    -1.8621   -1.2655
            49  C1y C    -3.2276   -2.4793
            50  O5x O    -2.6862   -3.6069
            51  C1a C    -3.9103   -2.6552
BOND        58
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   32  36 1
            36   32  37 2
            37   33  38 1
            38   34  39 2
            39   34  40 1
            40   39  41 1
            41   39  42 1
            42   40  43 2
            43   41  44 1
            44   41  45 1
            45   42  46 2
            46   44  47 1
            47   44  48 2
            48   45  49 1
            49   45  50 2
            50   49  51 1 #Up
            51    7   8 1
            52    9  14 1
            53   10  18 1
            54   12  15 1
            55   21  22 1
            56   26  30 1
            57   43  46 1
            58   47  49 1


entry: C08703
name: --- - Ovatine
formula: C24H35NO3
kcf:
ATOM        28
            1   C1z C    -0.6379    0.2103
            2   C1y C     0.0172    0.5931
            3   C1y C    -0.6379   -0.5552
            4   C1y C    -0.6483    0.9621
            5   C1x C    -1.2931    0.5931
            6   C1z C     0.6793    0.2172
            7   C1x C     0.0138    1.3517
            8   C1z C    -1.2931   -0.9483
            9   C1x C     0.0207   -0.9345
            10  N1y N    -1.6414   -0.2138
            11  O2x O    -1.3000    1.3414
            12  C1x C    -1.9483    0.2103
            13  C1y C     1.3276   -0.1586
            14  C1x C     1.3379    0.6000
            15  C1x C     0.6828   -0.5552
            16  C1x C     0.6690    1.7379
            17  C1x C    -1.6414   -1.7690
            18  C1x C    -1.9483   -0.5552
            19  C1a C    -1.1000   -1.6724
            20  C1x C    -2.2517    0.1034
            21  C1x C    -2.2483    0.8586
            22  C2y C     1.9793    0.9862
            23  O7a O     1.9759   -0.5345
            24  C1y C     1.3310    1.3586
            25  C2a C     2.6276    1.3655
            26  C7a C     1.9759   -1.2828
            27  C1a C     2.6276   -1.6552
            28  O7a O     1.3207   -1.6552
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1 #Either
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    6  15 1
            15    7  16 1
            16    8  17 1 #Down
            17    8  18 1
            18    8  19 1 #Up
            19   10  20 1
            20   11  21 1
            21   13  22 1
            22   13  23 1 #Up
            23   24  14 1 #Down
            24   22  25 2
            25   23  26 1
            26   26  27 1
            27   26  28 2
            28    9  15 1
            29   10  17 1
            30   12  18 1
            31   16  24 1
            32   20  21 1
            33   22  24 1


entry: C08704
name: --- - Pseudoaconitine
formula: C36H51NO12
kcf:
ATOM        49
            1   C1z C    -1.5586   -0.3345
            2   C1y C    -1.5586   -1.1103
            3   C1y C    -1.5690    0.4379
            4   C1y C    -0.9966    0.1103
            5   C1y C    -2.2241    0.0517
            6   C1z C    -2.2241   -1.5000
            7   C1y C    -0.9724   -1.5759
            8   C1y C    -0.2448   -1.4000
            9   N1y N    -2.5069   -0.7724
            10  C1y C    -0.2828   -0.0483
            11  C1x C    -1.0621    0.8414
            12  C1x C    -2.8966   -0.3345
            13  O2a O    -2.2241    0.8276
            14  C1x C    -2.5414   -2.1690
            15  C1y C    -2.8966   -1.1103
            16  C1b C    -1.9207   -2.1690
            17  O2a O    -1.1379   -2.3310
            18  C1z C     0.0655   -0.6931
            19  C1b C    -3.1793   -0.3862
            20  C1y C     0.0897    0.5759
            21  C1z C    -0.3897    1.1276
            22  C1a C    -2.8931    1.2172
            23  O1a O    -3.5690   -1.5000
            24  O2a O    -1.9276   -2.9414
            25  C1a C    -0.5621   -2.8517
            26  C1x C     0.9655   -0.2724
            27  O7a O     0.7310   -1.0759
            28  C1a C    -3.8448   -0.7724
            29  O7a O     1.4103    1.2345
            30  C1y C     0.3414    1.1310
            31  O1a O    -0.2276    1.8448
            32  C1a C    -2.5276   -3.2793
            33  C7a C     0.7310   -1.8517
            34  C7a C     2.0448    0.8724
            35  O2a O     0.7966    1.7552
            36  C1a C     1.4069   -2.2414
            37  O7a O     0.0586   -2.2379
            38  C8y C     2.6690    1.2345
            39  O7a O     2.0448    0.1414
            40  C1a C     0.4966    2.4690
            41  C8x C     2.6690    1.9586
            42  C8x C     3.3000    0.8724
            43  C8y C     3.3000    2.3241
            44  C8x C     3.9345    1.2345
            45  C8y C     3.9310    1.9586
            46  O2a O     3.2966    3.0483
            47  O2a O     4.5517    2.3241
            48  C1a C     3.9241    3.4069
            49  C1a C     5.1759    1.9586
BOND        55
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Down
            17    8  18 1
            18    9  19 1
            19   10  20 1
            20   11  21 1
            21   13  22 1
            22   15  23 1 #Down
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   19  28 1
            28   20  29 1 #Down
            29   21  30 1
            30   21  31 1 #Up
            31   24  32 1
            32   27  33 1
            33   29  34 1
            34   30  35 1 #Up
            35   33  36 1
            36   33  37 2
            37   34  38 1
            38   34  39 2
            39   35  40 1
            40   38  41 1
            41   38  42 2
            42   41  43 2
            43   42  44 1
            44   43  45 1
            45   43  46 1
            46   45  47 1
            47   46  48 1
            48   47  49 1
            49    7   8 1
            50    9  14 1
            51   10  18 1
            52   12  15 1
            53   20  21 1
            54   26  30 1
            55   44  45 2


entry: C08705
name: --- - Ryanodine
formula: C25H35NO9
kcf:
ATOM        35
            1   C1z C     1.4241    0.3103
            2   C1z C     0.5138    0.5414
            3   C1z C     1.4241   -0.4966
            4   O2x O     1.4310    1.1207
            5   C1y C     2.1172    0.7172
            6   C1z C     0.0724   -0.1345
            7   C1z C     0.0103    1.1690
            8   O1a O    -0.2621    0.3310
            9   C1z C     0.6414   -0.7000
            10  C1x C     2.1172   -0.9000
            11  O1a O     1.4310   -1.3069
            12  C1z C     0.7138    1.5724
            13  C1y C     2.8207    0.3103
            14  O1a O     2.1241    1.5241
            15  C1y C    -0.7034    0.0793
            16  O1a O     0.0793   -0.9379
            17  C1z C    -0.7414    0.8793
            18  C1a C     0.0172    1.9793
            19  C1x C     0.8517    0.0828
            20  C1a C     0.6483   -1.5103
            21  C1x C     2.8207   -0.4966
            22  O1a O     0.7172    2.3828
            23  C1a C     3.5207    0.7172
            24  O7a O    -1.4000   -0.3207
            25  C1c C    -1.5448    0.8828
            26  O1a O    -0.9483    1.6655
            27  C7a C    -1.4000   -1.1276
            28  C1a C    -1.9448    1.5828
            29  C1a C    -2.1172    0.3103
            30  C8y C    -2.0931   -1.5241
            31  O7a O    -0.6966   -1.5276
            32  C8x C    -2.3448   -2.2966
            33  N4x N    -2.7483   -1.0517
            34  C8x C    -3.1517   -2.2966
            35  C8x C    -3.4069   -1.5241
BOND        40
            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     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    3  11 1 #Up
            11    4  12 1
            12    5  13 1
            13    5  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1
            17    7  18 1 #Up
            18    9  19 1 #Down
            19    9  20 1
            20   10  21 1
            21   12  22 1
            22   13  23 1 #Up
            23   15  24 1 #Down
            24   17  25 1 #Down
            25   17  26 1 #Up
            26   24  27 1
            27   25  28 1
            28   25  29 1
            29   27  30 1
            30   27  31 2
            31   30  32 2
            32   30  33 1
            33   32  34 1
            34   33  35 1
            35    6   9 1
            36    7  12 1
            37   12  19 1 #Down
            38   13  21 1
            39   15  17 1
            40   34  35 2


entry: C08706
name: --- - Septentrionine
formula: C38H54N2O11
kcf:
ATOM        51
            1   C1z C     0.4690    1.3690
            2   C1y C     0.4690    0.5724
            3   C1y C     0.4621    2.1552
            4   C1y C     1.0379    1.8241
            5   C1y C    -0.2103    1.7586
            6   C1z C    -0.2103    0.1828
            7   C1y C     1.0655    0.1034
            8   C1z C     1.8103    0.2862
            9   N1y N    -0.4966    0.9207
            10  C1y C     1.7690    1.6552
            11  C1x C     0.9724    2.5690
            12  C1x C    -0.8966    1.3690
            13  O2a O    -0.2103    2.5517
            14  C1x C    -0.5345   -0.5000
            15  C1x C    -0.8966    0.5759
            16  C1b C     0.0931   -0.5000
            17  O2a O     0.8931   -0.6655
            18  C1z C     2.1207    1.0069
            19  O1a O     2.2759   -0.3483
            20  C1b C    -1.2103    1.3345
            21  C1y C     2.1517    2.2966
            22  C1y C     1.6552    2.8586
            23  C1a C    -0.8931    2.9448
            24  O7a O     0.0897   -1.2897
            25  C1a C     1.4793   -1.1966
            26  C1x C     3.0448    1.4310
            27  O2a O     2.8034    0.6138
            28  C1a C    -1.9241    0.9207
            29  O2a O     3.4897    2.9655
            30  C1y C     2.4000    2.8621
            31  C7a C    -0.5207   -1.6379
            32  C1a C     3.6241    0.6172
            33  C1a C     4.1345    2.5966
            34  O2a O     2.8724    3.4966
            35  C8y C    -0.5241   -2.3448
            36  O7a O    -1.1310   -1.2828
            37  C1a C     2.5586    4.2172
            38  C8y C    -1.1345   -2.6897
            39  C8x C     0.0793   -2.6966
            40  N1b N    -1.7414   -2.3345
            41  C8x C    -1.1414   -3.3897
            42  C8x C     0.0759   -3.4000
            43  C5a C    -2.3483   -2.6793
            44  C8x C    -0.5345   -3.7517
            45  C1b C    -2.9517   -2.3276
            46  O5a O    -2.3517   -3.3759
            47  C1b C    -3.5586   -2.6759
            48  C7a C    -4.1621   -2.3241
            49  O7a O    -4.7655   -2.6724
            50  O7a O    -4.1655   -1.6241
            51  C1a C    -5.3690   -2.3207
BOND        57
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   27  32 1
            32   29  33 1
            33   30  34 1 #Up
            34   31  35 1
            35   31  36 2
            36   34  37 1
            37   35  38 2
            38   35  39 1
            39   38  40 1
            40   38  41 1
            41   39  42 2
            42   40  43 1
            43   41  44 2
            44   43  45 1
            45   43  46 2
            46   45  47 1
            47   47  48 1
            48   48  49 1
            49   48  50 2
            50   49  51 1
            51    7   8 1
            52    9  14 1
            53   10  18 1
            54   12  15 1
            55   21  22 1
            56   26  30 1
            57   42  44 1


entry: C08707
name: --- - Songorine
formula: C22H31NO3
kcf:
ATOM        26
            1   C1z C    -0.3931   -0.0034
            2   C1y C     0.2483    0.3655
            3   C1y C    -0.4000    0.7345
            4   C1y C    -0.3966   -0.7379
            5   C1y C    -1.0241    0.3655
            6   C1z C     0.8724   -0.0103
            7   C1x C     0.2586    1.0897
            8   C1y C     0.8793   -0.7414
            9   N1y N    -1.2586   -0.3724
            10  C1z C    -1.0241   -1.1069
            11  C1x C     0.2414   -1.1103
            12  C1x C    -1.6655   -0.0034
            13  O1a O    -1.0310    1.1035
            14  C1x C     1.5103    0.3483
            15  C1y C     1.5103   -0.3759
            16  C5x C     0.8897    1.4483
            17  C1x C    -1.4000   -1.7379
            18  C1b C    -1.8897   -0.0069
            19  C1x C    -1.6655   -0.7345
            20  C1a C    -0.8414   -1.8138
            21  C1y C     1.5207    1.0793
            22  C2y C     2.1517    0.7103
            23  O1a O     1.7207   -1.1759
            24  O5x O     0.8828    2.1862
            25  C1a C    -2.5276   -0.3724
            26  C2a C     2.8621    0.9069
BOND        31
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    7  16 1
            16    9  17 1
            17    9  18 1
            18   10  19 1
            19   10  20 1 #Up
            20   21  14 1 #Down
            21   15  22 1
            22   15  23 1 #Up
            23   16  24 2
            24   18  25 1
            25   22  26 2
            26    6   8 1
            27    8  11 1
            28   10  17 1 #Down
            29   12  19 1
            30   16  21 1
            31   21  22 1


entry: C08708
name: --- - Spiradine A
formula: C20H25NO2
kcf:
ATOM        23
            1   C1z C    -0.4172    0.0138
            2   C1y C    -0.4172   -0.7345
            3   C1y C     0.2345    0.3862
            4   C1y C    -0.4655    0.6655
            5   C1x C    -1.0621    0.3897
            6   C1z C     0.2276   -1.1138
            7   C1z C    -1.0621   -1.1103
            8   C1z C     0.8828    0.0034
            9   C5x C     0.2414    1.1345
            10  C1y C     0.4966    0.6621
            11  N1y N    -1.1000   -0.0828
            12  C1x C    -1.7138    0.0138
            13  C1x C     0.8828   -0.7414
            14  O1a O     0.2207   -1.9483
            15  C1x C    -1.3069   -1.8379
            16  C1x C    -1.7138   -0.7345
            17  C1a C    -0.8759   -1.8379
            18  C1x C     1.5310    0.3793
            19  C1y C     0.8966    1.5035
            20  O5x O    -0.4138    1.5103
            21  C1x C     1.2207    0.8621
            22  C2y C     1.5379    1.1241
            23  C2a C     2.1862    1.5000
BOND        29
            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     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1 #Down
            15    7  16 1
            16    7  17 1 #Up
            17    8  18 1
            18    9  19 1
            19    9  20 2
            20   10  21 1
            21   18  22 1
            22   22  23 2
            23    6  11 1
            24    8  10 1 #Down
            25    8  13 1
            26   11  15 1
            27   12  16 1
            28   19  21 1 #Down
            29   19  22 1


entry: C08709
name: --- - Spiramine A
formula: C24H33NO4
kcf:
ATOM        29
            1   C1z C    -0.5103    0.2241
            2   C1y C     0.1690    0.6138
            3   C1y C    -0.5138   -0.5586
            4   C1y C    -0.5172    1.0069
            5   C1x C    -1.1862    0.6172
            6   C1z C     0.8379    0.2172
            7   C1x C     0.1759    1.3897
            8   C1z C    -1.1862   -0.9448
            9   C1x C     0.1621   -0.9483
            10  N1y N    -1.4931   -0.2379
            11  O2x O     0.2828   -0.0034
            12  C1x C    -1.8655    0.2241
            13  C1y C     0.8379   -0.5655
            14  C1y C     1.5172    0.6034
            15  C1x C     0.4448    0.9000
            16  C1y C     0.8517    1.7759
            17  C1y C    -1.4931   -1.5414
            18  C1x C    -1.8655   -0.5586
            19  C1a C    -0.9862   -1.7000
            20  C1x C    -2.2724   -0.2379
            21  C2y C     1.5241    1.3828
            22  O7a O     2.1897    0.2138
            23  C1x C     1.1966    1.1035
            24  O2x O    -2.2724   -1.5379
            25  C1x C    -2.6690   -0.9138
            26  C2a C     2.0759    1.9379
            27  C7a C     2.1897   -0.5621
            28  C1a C     2.8655   -0.9517
            29  O7a O     1.5103   -0.9517
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16    8  17 1
            17    8  18 1 #Up
            18    8  19 1 #Up
            19   10  20 1
            20   14  21 1
            21   14  22 1 #Down
            22   15  23 1
            23   17  24 1 #Up
            24   20  25 1
            25   21  26 2
            26   22  27 1
            27   27  28 1
            28   27  29 2
            29    9  13 1
            30   10  17 1
            31   13  11 1 #Down
            32   12  18 1
            33   16  21 1
            34   16  23 1 #Down
            35   24  25 1


entry: C08710
name: --- - Spirasine I
formula: C22H29NO3
kcf:
ATOM        26
            1   C1z C    -0.1759    0.2172
            2   C1z C     0.5103    0.6069
            3   C1y C    -0.1862    0.9276
            4   C1y C    -0.1793   -0.5724
            5   C1x C    -0.8586    0.6138
            6   C1z C     1.1931    0.2103
            7   C1x C     0.5172    1.4000
            8   O1a O     0.5034   -0.1759
            9   C1y C     0.7931    0.9000
            10  N1y N    -1.1759   -0.2517
            11  C1z C    -0.8586   -0.9724
            12  C5x C     0.5034   -0.9724
            13  C1x C    -1.5517    0.2172
            14  C1x C     1.1931   -0.5793
            15  C2x C     1.8793    0.6000
            16  C1y C     1.2069    1.7897
            17  C1x C     1.5552    1.1138
            18  C1y C    -1.1759   -1.5793
            19  C1x C    -1.9690   -0.2517
            20  C1x C    -1.5517   -0.5724
            21  C1a C    -0.6621   -1.7345
            22  O5x O     0.4966   -1.7655
            23  C2y C     1.8862    1.3862
            24  O2x O    -1.9690   -1.5724
            25  C1x C    -2.3690   -0.9379
            26  C1a C     2.4517    1.9552
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1 #Down
            10    4  11 1
            11    4  12 1
            12    5  13 1
            13    6  14 1
            14    6  15 1
            15    7  16 1
            16    9  17 1
            17   10  18 1
            18   10  19 1
            19   11  20 1 #Up
            20   11  21 1 #Up
            21   12  22 2
            22   15  23 2
            23   18  24 1 #Either
            24   19  25 1
            25   23  26 1
            26    6   9 1 #Down
            27   11  18 1
            28   12  14 1
            29   13  20 1
            30   16  17 1 #Down
            31   16  23 1
            32   24  25 1


entry: C08711
name: --- - Spiredine
formula: C22H27NO3
kcf:
ATOM        26
            1   C1z C    -0.1517    0.1414
            2   C1y C    -0.1586    0.8517
            3   C1y C     0.5414    0.5345
            4   C1y C    -0.1552   -0.6517
            5   C1x C    -0.8379    0.5379
            6   C1y C     0.8138    0.8241
            7   N1y N    -1.1448   -0.3241
            8   C1z C     1.2172    0.1345
            9   C5x C     0.5414    1.3276
            10  C1z C    -0.8379   -1.0483
            11  C5x C     0.5345   -1.0517
            12  C1x C    -1.5241    0.1414
            13  C1x C     1.5793    1.0345
            14  C1y C    -1.1448   -1.6552
            15  C1x C    -1.9414   -0.3241
            16  C1x C     1.2172   -0.6586
            17  C1x C     1.9069    0.5241
            18  C1y C     1.2276    1.7138
            19  O5x O    -0.1448    1.7207
            20  C1x C    -1.5241   -0.6517
            21  C1a C    -0.6379   -1.8138
            22  O5x O     0.5241   -1.8414
            23  O2x O    -1.9414   -1.6517
            24  C1x C    -2.3414   -1.0103
            25  C2y C     1.9138    1.3172
            26  C2a C     2.4724    1.8793
BOND        32
            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 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17    9  18 1
            18    9  19 2
            19   10  20 1 #Up
            20   10  21 1 #Up
            21   11  22 2
            22   14  23 1 #Either
            23   15  24 1
            24   17  25 1
            25   25  26 2
            26    8   6 1 #Down
            27   10  14 1
            28   11  16 1
            29   12  20 1
            30   18  13 1 #Down
            31   18  25 1
            32   23  24 1


entry: C08712
name: --- - Staphidine
formula: C42H58N2O
kcf:
ATOM        45
            1   C1z C     1.6586   -0.1483
            2   C1y C     0.9690    0.2517
            3   C1y C     1.7759    0.8172
            4   C1y C     2.3448    0.2483
            5   C1x C     1.6552   -0.9448
            6   C1z C     0.9690    1.0483
            7   O2x O     0.2793   -0.1448
            8   C1x C     1.3690    0.3552
            9   C2x C     2.3483    1.0414
            10  C1x C     0.9690   -1.3448
            11  C2y C     1.6586    1.4379
            12  C1x C     0.2862    1.4483
            13  C1z C     0.2759   -0.9448
            14  C2y C     1.6655    2.2310
            15  C1x C     0.2931    2.2448
            16  C1y C    -0.4103   -0.5414
            17  C1x C     0.2724   -1.7414
            18  C2y C     0.9828    2.6345
            19  C1x C     2.3552    2.6172
            20  C1x C    -1.1069   -0.9345
            21  C1x C    -0.0621   -1.2276
            22  C1z C    -0.4241   -2.1414
            23  C1z C     0.9966    3.4276
            24  C1y C     2.3655    3.4069
            25  C1y C    -1.1138   -1.7310
            26  C1y C    -0.8310   -1.4414
            27  C1x C    -0.4241   -2.9379
            28  C1x C     1.6862    3.8138
            29  C1x C     0.9897    4.2310
            30  C1a C     0.2966    3.8310
            31  C1x C     2.3586    4.2103
            32  C1z C    -1.8069   -2.1310
            33  C1y C    -1.8138   -1.3276
            34  C1x C    -1.1207   -3.3345
            35  N1y N     1.6759    4.6345
            36  C1y C    -1.8103   -2.9310
            37  C1x C    -2.5000   -1.7276
            38  N1y N    -2.8138   -2.6034
            39  C1a C     1.6724    5.4345
            40  C1z C    -2.5000   -3.3310
            41  C1x C    -3.1931   -2.1310
            42  C1x C    -2.8138   -3.9414
            43  C1a C    -3.9345   -2.6448
            44  C1x C    -3.1931   -2.9310
            45  C1a C    -2.3000   -4.1034
BOND        57
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12   13   7 1 #Up
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   14  18 2
            18   14  19 1
            19   16  20 1
            20   16  21 1 #Down
            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 #Up
            28   23  29 1
            29   23  30 1
            30   24  31 1
            31   25  32 1
            32   26  33 1
            33   27  34 1
            34   29  35 1
            35   32  36 1
            36   32  37 1
            37   33  38 1
            38   35  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   38  43 1
            43   40  44 1
            44   40  45 1 #Up
            45    4   3 1 #Down
            46    6   8 1 #Down
            47    9  11 2
            48   13  10 1 #Down
            49   15  18 1
            50   22  25 1
            51   22  26 1 #Down
            52   24  28 1 #Up
            53   31  35 1
            54   32  33 1 #Down
            55   34  36 1
            56   40  42 1 #Down
            57   41  44 1


entry: C08713
name: --- - Talatizamine
formula: C24H39NO5
kcf:
ATOM        30
            1   C1z C    -0.2897    0.0000
            2   C1y C    -0.2897   -0.7379
            3   C1y C    -0.3000    0.7379
            4   C1y C     0.2414    0.4241
            5   C1y C    -0.9241    0.3724
            6   C1z C    -0.9241   -1.1069
            7   C1x C     0.2655   -1.1759
            8   C1y C     0.9552   -1.0103
            9   N1y N    -1.1931   -0.4138
            10  C1y C     0.9241    0.2759
            11  C1x C     0.1793    1.1207
            12  C1x C    -1.5655    0.0000
            13  O2a O    -0.9241    1.1069
            14  C1x C    -1.2276   -1.7414
            15  C1x C    -1.5655   -0.7379
            16  C1b C    -0.6345   -1.7414
            17  C1z C     1.2552   -0.3379
            18  C1b C    -1.8310   -0.0483
            19  C1y C     1.2793    0.8690
            20  C1y C     0.8207    1.3931
            21  C1a C    -1.5621    1.4759
            22  O2a O    -0.6379   -2.4345
            23  C1x C     2.1138    0.0586
            24  O1a O     1.8897   -0.7034
            25  C1a C    -2.4655   -0.4138
            26  O1a O     2.5310    1.4931
            27  C1y C     1.5138    1.3966
            28  C1a C    -1.2414   -2.7828
            29  O2a O     1.9483    1.9897
            30  C1a C     1.6621    2.6690
BOND        35
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    8  17 1
            17    9  18 1
            18   10  19 1
            19   11  20 1
            20   13  21 1
            21   16  22 1
            22   17  23 1
            23   17  24 1 #Up
            24   18  25 1
            25   19  26 1 #Down
            26   20  27 1
            27   22  28 1
            28   27  29 1 #Up
            29   29  30 1
            30    7   8 1
            31    9  14 1
            32   10  17 1
            33   12  15 1
            34   19  20 1
            35   23  27 1


entry: C08714
name: --- - Thalicsessine
formula: C22H27NO4
kcf:
ATOM        27
            1   C1z C    -0.0448    0.1207
            2   C1y C     0.6379    0.5103
            3   C1y C    -0.0517    0.9034
            4   C1y C    -0.0483   -0.6655
            5   C1x C    -0.7207    0.5138
            6   C1z C     1.3138    0.1138
            7   C5x C     0.6448    1.2931
            8   C1y C     0.9138    0.8000
            9   N1y N    -1.0310   -0.3448
            10  C1z C    -0.7207   -1.0586
            11  C5x C     0.6310   -1.0621
            12  C1x C    -1.4034    0.1207
            13  C1x C     1.3138   -0.6724
            14  C1x C     1.9966    0.4966
            15  C1y C     1.3276    1.6793
            16  O5x O    -0.0414    1.6862
            17  C1x C     1.6724    1.0035
            18  C5x C    -1.0310   -1.6586
            19  C1b C    -1.7103    0.0483
            20  C1x C    -1.4034   -0.6655
            21  C1a C    -0.5241   -1.8172
            22  O5x O     0.6207   -1.8414
            23  C2y C     2.0035    1.2828
            24  O5x O    -1.4276   -2.3345
            25  C1b C    -2.3862   -0.3448
            26  C2a C     2.5552    1.8414
            27  O1a O    -3.0655    0.0483
BOND        32
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    8  17 1
            17    9  18 1
            18    9  19 1
            19   10  20 1
            20   10  21 1 #Up
            21   11  22 2
            22   14  23 1
            23   18  24 2
            24   19  25 1
            25   23  26 2
            26   25  27 1
            27    6   8 1 #Down
            28   10  18 1 #Down
            29   11  13 1
            30   12  20 1
            31   15  17 1 #Down
            32   15  23 1


entry: C08715
name: --- - Tricornine
formula: C27H43NO8
kcf:
ATOM        36
            1   C1z C    -0.3621    0.3034
            2   C1y C    -0.3621   -0.4552
            3   C1y C    -0.3724    1.0517
            4   C1y C     0.1828    0.7345
            5   C1y C    -1.0069    0.6759
            6   C1z C    -1.0069   -0.8241
            7   C1y C     0.2034   -0.9000
            8   C1z C     0.9103   -0.7276
            9   N1y N    -1.2862   -0.1241
            10  C1y C     0.8724    0.5828
            11  C1x C     0.1172    1.4448
            12  C1x C    -1.6621    0.3034
            13  O2a O    -1.0069    1.4310
            14  C1x C    -1.3172   -1.4724
            15  C1x C    -1.6621   -0.4552
            16  C1b C    -0.7138   -1.4724
            17  O2a O     0.0414   -1.6345
            18  C1z C     1.2138   -0.0448
            19  O1a O     1.4793   -1.3000
            20  C1b C    -1.9345    0.2517
            21  C1y C     1.2379    1.1862
            22  C1y C     0.7690    1.7207
            23  C1a C    -1.6586    1.8069
            24  O7a O    -0.7172   -2.1828
            25  C1a C     0.6000   -2.1414
            26  C1x C     2.0897    0.3621
            27  O1a O     1.8586   -0.4207
            28  C1a C    -2.5828   -0.1241
            29  O2a O     2.5138    1.8241
            30  C1y C     1.4828    1.7241
            31  C7a C    -1.3310   -2.5345
            32  C1a C     3.1345    1.4759
            33  O2a O     1.9241    2.3310
            34  C1a C    -1.3345   -3.2448
            35  O7a O    -1.9448   -2.1793
            36  C1a C     1.6310    3.0207
BOND        41
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36    7   8 1
            37    9  14 1
            38   10  18 1
            39   12  15 1
            40   21  22 1
            41   26  30 1


entry: C08716
name: --- - Malvidin - Malvidin chloride
formula: C17H15O7
kcf:
ATOM        24
            1   C8y C     0.6897    0.1897
            2   C8y C    -0.0310   -0.2207
            3   C8x C     1.4034   -0.2276
            4   C8x C     0.6897    1.0138
            5   O2x O    -0.7483    0.1931 #+
            6   C8y C    -0.0345   -1.0517
            7   C8y C     2.1241    0.1793
            8   C8y C     1.4103    1.4276
            9   C8y C    -1.4690   -0.2138
            10  C8x C    -0.7552   -1.4655
            11  O1a O     0.6828   -1.4690
            12  C8y C     2.1276    1.0103
            13  O2a O     2.8379   -0.2345
            14  O2a O     1.4138    2.2586
            15  C8y C    -1.4724   -1.0448
            16  C8x C    -2.1828    0.1966
            17  O1a O     2.8448    1.4241
            18  C1a C     3.5586    0.1724
            19  C1a C     0.6966    2.6724
            20  C8y C    -2.1828   -1.4621
            21  C8y C    -2.9000   -0.2138
            22  C8x C    -2.9000   -1.0448
            23  O1a O    -2.1828   -2.2897
            24  O1a O    -3.6207    0.1966
BOND        26
            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 2
            8     5   9 1
            9     6  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 2
            15    9  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 2
            21   20  22 2
            22   20  23 1
            23   21  24 1
            24    8  12 1
            25   10  15 1
            26   21  22 1


entry: C08717
name: --- - Silychristin
formula: C25H22O10
kcf:
ATOM        35
            1   C1y C     2.6325  -12.3268
            2   O2x O     1.9188  -11.9096
            3   C1y C     2.6291  -13.1510
            4   C8y C     1.2015  -12.3199
            5   C5x C     1.9119  -13.5613
            6   O1a O     3.3394  -13.5648
            7   C8y C     1.1981  -13.1441
            8   C8x C     0.4912  -11.9061
            9   O5x O     1.9084  -14.3855
            10  C8y C     0.4912  -13.5579
            11  C8y C    -0.2261  -12.3199
            12  C8x C    -0.2261  -13.1441
            13  O1a O     0.4912  -14.3820
            14  O1a O    -0.9399  -11.9061
            15  C8y C     3.3490  -11.9177
            16  C8y C     4.7739  -11.9199
            17  C8y C     4.7774  -11.0992
            18  C1y C     5.5567  -12.1786
            19  C8x C     4.0601  -12.3337
            20  O2x O     5.5601  -10.8475
            21  C8y C     4.0670  -10.6820
            22  C1y C     6.0394  -11.5130
            23  C1b C     6.3257  -12.6130
            24  C8x C     3.3498  -11.0924
            25  O1a O     4.0705   -9.8579
            26  O1a O     7.0808  -12.1130
            27  C8y C     6.7561  -11.1019
            28  C8x C     7.4636  -11.5130
            29  C8x C     6.7498  -10.2751
            30  C8y C     8.1808  -11.1027
            31  C8x C     7.4636   -9.8648
            32  C8y C     8.1808  -10.2751
            33  O2a O     8.8946  -11.5130
            34  O1a O     8.8946   -9.8648
            35  C1a C     9.6084  -11.1027
BOND        39
            1    10  13 1
            2    11  14 1
            3     5   7 1
            4    11  12 1
            5     1  15 1 #Down
            6     1   2 1
            7     1   3 1
            8     2   4 1
            9    16  17 2
            10   16  18 1
            11   16  19 1
            12   17  20 1
            13   17  21 1
            14   18  22 1
            15   18  23 1 #Down
            16   19  15 2
            17   21  24 2
            18   21  25 1
            19   23  26 1
            20   20  22 1
            21   15  24 1
            22   22  27 1 #Up
            23    3   5 1
            24    3   6 1 #Up
            25    4   7 2
            26    4   8 1
            27    5   9 2
            28    7  10 1
            29    8  11 2
            30   10  12 2
            31   27  28 2
            32   27  29 1
            33   28  30 1
            34   29  31 2
            35   30  32 2
            36   30  33 1
            37   32  34 1
            38   33  35 1
            39   31  32 1


entry: C08718
name: --- - Malvin
formula: C29H35O17
kcf:
ATOM        46
            1   C8y C     0.3552    1.2069
            2   C8y C     0.3483    0.3759
            3   C8y C     1.0690    1.6138
            4   O2x O    -0.3621    1.6241 #+
            5   C8x C    -0.3690   -0.0310
            6   O2a O     1.0621   -0.0379
            7   C8x C     1.7793    1.1966
            8   C8x C     1.0724    2.4379
            9   C8y C    -1.0828    1.2172
            10  C8y C    -1.0862    0.3862
            11  C1y C     1.8931   -0.5759
            12  C8y C     2.4966    1.6069
            13  C8y C     1.7862    2.8483
            14  C8x C    -1.8000    1.6276
            15  C8y C    -1.8000   -0.0310
            16  O2x O     1.8862   -1.3966
            17  C1y C     2.6103   -0.1655
            18  C8y C     2.5000    2.4310
            19  O2a O     3.2069    1.1897
            20  O2a O     1.7931    3.6724
            21  C8y C    -2.5207    1.2172
            22  O2a O    -1.8000   -0.8379
            23  C8x C    -2.5207    0.3828
            24  C1y C     2.6000   -1.8138
            25  C1y C     3.3207   -0.5828
            26  O1a O     2.6138    0.6586
            27  O1a O     3.2172    2.8379
            28  C1a C     3.9241    1.5966
            29  C1a C     1.0793    4.0862
            30  O1a O    -3.2345    1.6310
            31  C1y C    -2.5897   -1.3345
            32  C1y C     3.3138   -1.4103
            33  C1b C     2.5931   -2.6414
            34  O1a O     4.0379   -0.1759
            35  O2x O    -3.3000   -0.9207
            36  C1y C    -2.5897   -2.1586
            37  O1a O     4.0276   -1.8276
            38  O1a O     1.8759   -3.0483
            39  C1y C    -4.0172   -1.3345
            40  C1y C    -3.3000   -2.5724
            41  O1a O    -1.8724   -2.5724
            42  C1y C    -4.0172   -2.1586
            43  C1b C    -4.7310   -0.9207
            44  O1a O    -3.3000   -3.3966
            45  O1a O    -4.7310   -2.5724
            46  O1a O    -5.4448   -1.3345
BOND        50
            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   11   6 1 #Up
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1
            17   12  18 2
            18   12  19 1
            19   13  20 1
            20   14  21 2
            21   15  22 1
            22   15  23 2
            23   16  24 1
            24   17  25 1
            25   17  26 1 #Down
            26   18  27 1
            27   19  28 1
            28   20  29 1
            29   21  30 1
            30   31  22 1 #Up
            31   24  32 1
            32   24  33 1 #Up
            33   25  34 1 #Up
            34   31  35 1
            35   31  36 1
            36   32  37 1 #Down
            37   33  38 1
            38   35  39 1
            39   36  40 1
            40   36  41 1 #Down
            41   39  42 1
            42   39  43 1 #Up
            43   40  44 1 #Up
            44   42  45 1 #Down
            45   43  46 1
            46    9  10 2
            47   13  18 1
            48   21  23 1
            49   25  32 1
            50   40  42 1


entry: C08719
name: --- - Sophoranone
formula: C30H36O4
kcf:
ATOM        34
            1   C8y C     2.8339  -13.1260
            2   C8y C     2.8305  -13.9536
            3   C8y C     2.1201  -12.7122
            4   O2x O     3.5546  -12.7156
            5   C5x C     3.5477  -14.3742
            6   C8x C     2.1201  -14.3708
            7   C8y C     1.3995  -13.1260
            8   C1b C     2.1236  -11.8846
            9   C1y C     4.2719  -13.1329
            10  C1x C     4.2650  -13.9605
            11  O5x O     3.5443  -15.2053
            12  C8x C     1.3995  -13.9536
            13  O1a O     0.6822  -12.7122
            14  C2b C     2.8374  -11.4674
            15  C2c C     2.8374  -10.6398
            16  C1a C     3.5581  -10.2260
            17  C1a C     2.1236  -10.2260
            18  C8y C     4.9887  -12.7246
            19  C8x C     5.7064  -13.1398
            20  C8x C     4.9926  -11.8949
            21  C8y C     6.4270  -12.7294
            22  C8y C     5.7133  -11.4811
            23  C8y C     6.4305  -11.9018
            24  C1b C     7.1408  -13.1467
            25  C1b C     5.7167  -10.6536
            26  O1a O     7.1512  -11.4880
            27  C2b C     7.8581  -12.7363
            28  C2b C     6.4374  -10.2432
            29  C2c C     8.5753  -13.1536
            30  C2c C     6.4408   -9.4122
            31  C1a C     9.2960  -12.7432
            32  C1a C     8.5719  -13.9811
            33  C1a C     7.1615   -8.9984
            34  C1a C     5.7236   -8.9949
BOND        36
            1     7  12 1
            2     9  10 1
            3     9  18 1 #Down
            4     1   2 2
            5     1   3 1
            6     1   4 1
            7     2   5 1
            8     2   6 1
            9     3   7 2
            10    3   8 1
            11    4   9 1
            12    5  10 1
            13    5  11 2
            14    6  12 2
            15    7  13 1
            16    8  14 1
            17   14  15 2
            18   15  16 1
            19   15  17 1
            20   18  19 2
            21   18  20 1
            22   19  21 1
            23   20  22 2
            24   21  23 2
            25   21  24 1
            26   22  25 1
            27   23  26 1
            28   24  27 1
            29   25  28 1
            30   27  29 2
            31   28  30 2
            32   29  31 1
            33   29  32 1
            34   30  33 1
            35   30  34 1
            36   22  23 1


entry: C08720
name: --- - Maritimetin
formula: C15H10O6
kcf:
ATOM        21
            1   C8y C    -1.3828   -0.5966
            2   C8y C    -1.3793    0.2310
            3   C5x C    -0.5966   -0.8552
            4   C8x C    -2.0931   -1.0103
            5   O2x O    -0.5897    0.4828
            6   C8y C    -2.0931    0.6483
            7   C2y C    -0.1069   -0.1897
            8   O5x O    -0.3448   -1.6448
            9   C8x C    -2.8103   -0.6000
            10  C8y C    -2.8103    0.2310
            11  O1a O    -2.0931    1.4759
            12  C2b C     0.6103   -0.6034
            13  O1a O    -3.5276    0.6483
            14  C8y C     1.3310   -0.1897
            15  C8x C     2.0448   -0.6069
            16  C8x C     1.3276    0.6379
            17  C8y C     2.7586   -0.1897
            18  C8x C     2.0448    1.0517
            19  C8y C     2.7586    0.6379
            20  O1a O     3.4793   -0.6069
            21  O1a O     3.4793    1.0517
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     6  10 2
            10    6  11 1
            11    7  12 2
            12   10  13 1
            13   12  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    5   7 1
            22    9  10 1
            23   18  19 1


entry: C08721
name: --- - Polysialic acid acetylated at O-9
formula: OR(C11H14NO8R3)n
kcf:
ATOM        26
            1   C1y C     0.1793    0.3103
            2   C1y C     0.1793   -0.5207
            3   C1c C    -0.5414    0.7207
            4   O2x O     0.9000    0.7207
            5   C1y C     0.9000   -0.9379
            6   N1b N    -0.5414   -0.9379
            7   C1c C    -1.2621    0.3172
            8   O2a O    -0.5483    1.5552
            9   C1z C     1.6138    0.3103
            10  C1x C     1.6138   -0.5207
            11  O2a O     0.9000   -1.7655
            12  R   R    -0.7586   -1.7379
            13  C1b C    -1.2690   -0.5103
            14  O2a O    -2.2828    0.7310
            15  R   R    -1.2690    1.9724
            16  C6a C     2.0207    1.0310
            17  O1a O     2.4414    0.3103
            18  R   R     1.3069   -2.4793
            19  O7a O    -1.9897   -0.9241
            20  R   R    -3.1138    0.7310
            21  O6a O     1.6035    1.7517
            22  O6a O     2.8483    1.0310
            23  Z   *     3.6414    0.3103
            24  C7a C    -2.8172   -0.9241
            25  C1a C    -3.5379   -0.5069
            26  O7a O    -3.0310   -1.7207
BOND        26
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1 #Up
            16    9  17 1
            17   11  18 1
            18   13  19 1
            19   14  20 1
            20   16  21 1
            21   16  22 2
            22   17  23 1
            23   19  24 1
            24   24  25 1
            25   24  26 2
            26    9  10 1


entry: C08722
name: --- - 4,5-Methylenedioxy-6-hydroxyaurone
formula: C16H10O5
kcf:
ATOM        21
            1   C8y C    -0.7310   -0.2690
            2   C8y C    -1.4414   -0.6897
            3   C8y C    -0.7276    0.5552
            4   C5x C     0.0552   -0.5310
            5   C8y C    -2.1586   -0.2724
            6   O2x O    -1.6172   -1.5000
            7   O2x O     0.0621    0.8069
            8   C8x C    -1.4414    0.9690
            9   C2y C     0.5414    0.1345
            10  O5x O     0.3034   -1.3207
            11  C8y C    -2.1621    0.5552
            12  O2x O    -2.7759   -0.8241
            13  C1x C    -2.4414   -1.5828
            14  C2b C     1.2586   -0.2793
            15  O1a O    -2.8828    0.9655
            16  C8y C     1.9793    0.1345
            17  C8x C     2.6931   -0.2828
            18  C8x C     1.9759    0.9586
            19  C8x C     3.4103    0.1310
            20  C8x C     2.6931    1.3759
            21  C8x C     3.4103    0.9586
BOND        24
            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 1
            13    9  14 2
            14   11  15 1
            15   14  16 1
            16   16  17 2
            17   16  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21    7   9 1
            22    8  11 2
            23   12  13 1
            24   20  21 1


entry: C08723
name: --- - Monardaein
formula: C42H41O23
kcf:
ATOM        65
            1   C8y C    -0.6138    1.0655
            2   C8y C    -0.6138    1.6793
            3   C8y C    -1.1414    0.7690
            4   C8x C    -0.0862    0.7690
            5   O2x O    -0.0862    1.9897 #+
            6   C8x C    -1.1414    1.9897
            7   O2a O    -1.1414    0.1586
            8   C8x C    -1.6655    1.0655
            9   C8y C     0.4448    1.0655
            10  C8y C     0.4448    1.6793
            11  C8y C    -1.6655    1.6793
            12  C1y C    -1.7345   -0.2138
            13  O2a O     0.9897    0.7621
            14  C8y C     0.9724    1.9897
            15  O1a O    -2.1931    1.9897
            16  O2x O    -2.2690    0.0621
            17  C1y C    -1.7103   -0.8172
            18  C1y C     1.6138    0.3862
            19  C8x C     1.5069    1.6793
            20  C8x C     0.9724    2.6000
            21  C1y C    -2.7862   -0.2586
            22  C1y C    -2.2276   -1.1483
            23  O1a O    -1.1724   -1.1103
            24  O2x O     1.6000   -0.2207
            25  C1y C     2.1379    0.6828
            26  C8x C     2.0310    1.9897
            27  C8x C     1.5000    2.9069
            28  C1y C    -2.7655   -0.8586
            29  C1b C    -3.3276    0.0276
            30  O1a O    -2.2069   -1.7414
            31  C1y C     2.1207   -0.5310
            32  C1y C     2.6621    0.3759
            33  O1a O     2.1448    1.2828
            34  C8y C     2.0310    2.6069
            35  O7a O    -3.2862   -1.1828
            36  O7a O    -3.8517   -0.2724
            37  C1y C     2.6552   -0.2345
            38  C1b C     2.1103   -1.1379
            39  O1a O     3.1931    0.6655
            40  O1a O     2.5552    2.9069
            41  C7a C    -3.2690   -1.8000
            42  C7a C    -4.3862    0.0276
            43  O1a O     3.1690   -0.5483
            44  O7a O     2.6138   -1.4414
            45  C1b C    -3.7931   -2.1241
            46  O7a O    -2.7276   -2.0897
            47  C1b C    -4.9103   -0.2724
            48  O7a O    -4.3862    0.6379
            49  C7a C     3.1586   -1.7483
            50  C6a C    -4.3379   -1.8310
            51  C6a C    -5.4379    0.0276
            52  C2b C     3.6897   -1.4414
            53  O7a O     3.1586   -2.3552
            54  O6a O    -4.8586   -2.1552
            55  O6a O    -4.3552   -1.2138
            56  O6a O    -5.4379    0.6379
            57  O6a O    -5.9655   -0.2724
            58  C2b C     4.2069   -1.7483
            59  C8y C     4.7379   -1.4414
            60  C8x C     5.2552   -1.7483
            61  C8x C     4.7345   -0.8345
            62  C8x C     5.7862   -1.4414
            63  C8x C     5.2552   -0.5379
            64  C8y C     5.7862   -0.8345
            65  O1a O     6.3103   -0.5379
BOND        70
            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 2
            11   12   7 1 #Up
            12    9  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   18  13 1 #Up
            18   14  19 2
            19   14  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Down
            23   18  24 1
            24   18  25 1
            25   19  26 1
            26   20  27 2
            27   21  28 1
            28   21  29 1 #Up
            29   22  30 1 #Up
            30   24  31 1
            31   25  32 1
            32   25  33 1 #Down
            33   26  34 2
            34   28  35 1 #Down
            35   29  36 1
            36   31  37 1
            37   31  38 1 #Up
            38   32  39 1 #Up
            39   34  40 1
            40   35  41 1
            41   36  42 1
            42   37  43 1 #Down
            43   38  44 1
            44   41  45 1
            45   41  46 2
            46   42  47 1
            47   42  48 2
            48   44  49 1
            49   45  50 1
            50   47  51 1
            51   49  52 1
            52   49  53 2
            53   50  54 1
            54   50  55 2
            55   51  56 1
            56   51  57 2
            57   52  58 2
            58   58  59 1
            59   59  60 2
            60   59  61 1
            61   60  62 1
            62   61  63 2
            63   62  64 2
            64   64  65 1
            65    8  11 1
            66    9  10 1
            67   22  28 1
            68   27  34 1
            69   32  37 1
            70   63  64 1


entry: C08724
name: --- - Okanin
formula: C15H12O6
kcf:
ATOM        21
            1   C8y C    -0.9862   -0.6828
            2   C8y C    -1.7035   -1.1000
            3   C5a C    -0.2690   -1.1000
            4   C8x C    -0.9862    0.1448
            5   C8y C    -2.4241   -0.6828
            6   O1a O    -1.7035   -1.9241
            7   C2b C     0.4448   -0.6897
            8   O5a O    -0.2690   -1.9241
            9   C8x C    -1.7035    0.5586
            10  C8y C    -2.4241    0.1448
            11  O1a O    -3.1379   -1.0966
            12  C2b C     0.4483    0.1379
            13  O1a O    -3.1379    0.5586
            14  C8y C     1.1621    0.5483
            15  C8x C     1.8724    0.1345
            16  C8x C     1.1621    1.3724
            17  C8y C     2.5897    0.5448
            18  C8x C     1.8759    1.7828
            19  C8y C     2.5897    1.3690
            20  O1a O     3.3034    0.1310
            21  O1a O     3.3034    1.7828
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    7  12 2
            12   10  13 1
            13   12  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    9  10 1
            22   18  19 1


entry: C08725
name: --- - Pelargonin
formula: C27H31O15
kcf:
ATOM        42
            1   C8y C    -0.8448    0.6345
            2   C8y C    -0.8414    1.4621
            3   C8y C    -1.5552    0.2172
            4   C8x C    -0.1276    0.2172
            5   O2x O    -0.1207    1.8655 #+
            6   C8x C    -1.5552    1.8690
            7   O2a O    -1.5552   -0.5828
            8   C8x C    -2.2724    0.6310
            9   C8y C     0.5862    0.6241
            10  C8y C     0.5931    1.4517
            11  C8y C    -2.2724    1.4621
            12  C1y C    -2.3414   -1.0759
            13  O2a O     1.2931    0.2103
            14  C8y C     1.3000    1.8552
            15  O1a O    -2.9828    1.8724
            16  O2x O    -3.0483   -0.6655
            17  C1y C    -2.3414   -1.8966
            18  C1y C     2.1207   -0.3207
            19  C8x C     2.0069    1.4414
            20  C8x C     1.3035    2.6759
            21  C1y C    -3.7586   -1.0759
            22  C1y C    -3.0483   -2.3103
            23  O1a O    -1.6276   -2.3103
            24  O2x O     2.1138   -1.1379
            25  C1y C     2.8345    0.0828
            26  C8x C     2.7207    1.8483
            27  C8x C     2.0138    3.0862
            28  C1y C    -3.7586   -1.8966
            29  C1b C    -4.4690   -0.6655
            30  O1a O    -3.0483   -3.1310
            31  C1y C     2.8241   -1.5552
            32  C1y C     3.5414   -0.3276
            33  O1a O     2.8379    0.9034
            34  C8y C     2.7241    2.6690
            35  O1a O    -4.4690   -2.3103
            36  O1a O    -5.1793   -1.0759
            37  C1y C     3.5345   -1.1517
            38  C1b C     2.8172   -2.3793
            39  O1a O     4.2552    0.0724
            40  O1a O     3.4379    3.0759
            41  O1a O     4.2448   -1.5690
            42  O1a O     2.1034   -2.7828
BOND        46
            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 2
            11   12   7 1 #Up
            12    9  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   18  13 1 #Up
            18   14  19 2
            19   14  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Down
            23   18  24 1
            24   18  25 1
            25   19  26 1
            26   20  27 2
            27   21  28 1
            28   21  29 1 #Up
            29   22  30 1 #Up
            30   24  31 1
            31   25  32 1
            32   25  33 1 #Down
            33   26  34 2
            34   28  35 1 #Down
            35   29  36 1
            36   31  37 1
            37   31  38 1 #Up
            38   32  39 1 #Up
            39   34  40 1
            40   37  41 1 #Down
            41   38  42 1
            42    8  11 1
            43    9  10 1
            44   22  28 1
            45   27  34 1
            46   32  37 1


entry: C08726
name: --- - Peonidin - 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride
formula: C16H13O6
kcf:
ATOM        22
            1   C8y C     0.0655    0.0000
            2   C8y C     0.7862    0.4138
            3   O2x O    -0.6517    0.4172 #+
            4   C8y C     0.0621   -0.8310
            5   C8x C     1.5000   -0.0069
            6   C8x C     0.7862    1.2414
            7   C8y C    -1.3724    0.0069
            8   C8x C    -0.6586   -1.2379
            9   O1a O     0.7724   -1.2448
            10  C8y C     2.2207    0.4069
            11  C8x C     1.5069    1.6552
            12  C8y C    -1.3759   -0.8241
            13  C8x C    -2.0897    0.4207
            14  C8y C     2.2241    1.2379
            15  O2a O     2.9345   -0.0069
            16  C8y C    -2.0897   -1.2379
            17  C8y C    -2.8034    0.0069
            18  O1a O     2.9379    1.6483
            19  C1a C     3.6517    0.4034
            20  C8x C    -2.8034   -0.8241
            21  O1a O    -2.0862   -2.0621
            22  O1a O    -3.5207    0.4172
BOND        24
            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 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 2
            12    7  13 1
            13   10  14 2
            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   16  21 1
            21   17  22 1
            22    8  12 1
            23   11  14 1
            24   17  20 1


entry: C08727
name: --- - Petunidin - Petunidin chloride
formula: C16H13O7
kcf:
ATOM        23
            1   C8y C     0.7207    0.3034
            2   C8y C     0.0000   -0.1034
            3   C8x C     1.4345   -0.1138
            4   C8x C     0.7207    1.1310
            5   O2x O    -0.7172    0.3103 #+
            6   C8y C    -0.0034   -0.9345
            7   C8y C     2.1552    0.2966
            8   C8y C     1.4414    1.5448
            9   C8y C    -1.4379   -0.1000
            10  C8x C    -0.7241   -1.3483
            11  O1a O     0.7138   -1.3552
            12  C8y C     2.1586    1.1241
            13  O2a O     2.8690   -0.1207
            14  O1a O     1.4448    2.3759
            15  C8y C    -1.4414   -0.9276
            16  C8x C    -2.1552    0.3138
            17  O1a O     2.8759    1.5379
            18  C1a C     3.5862    0.2897
            19  C8y C    -2.1552   -1.3448
            20  C8y C    -2.8690   -0.1000
            21  C8x C    -2.8690   -0.9276
            22  O1a O    -2.1517   -2.1724
            23  O1a O    -3.5897    0.3138
BOND        25
            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 2
            8     5   9 1
            9     6  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 2
            15    9  16 1
            16   12  17 1
            17   13  18 1
            18   15  19 1
            19   16  20 2
            20   19  21 2
            21   19  22 1
            22   20  23 1
            23    8  12 1
            24   10  15 1
            25   20  21 1


entry: C08728
name: --- - Riccionidin A
formula: C15H9O6
kcf:
ATOM        21
            1   C8y C     0.3345    0.0862
            2   C8y C     1.1276    0.3379
            3   C8y C     0.3310   -0.7414
            4   O2x O    -0.3759    0.5034 #+
            5   C8y C     1.6069   -0.3345
            6   C8y C     1.4690    1.0931
            7   O2x O     1.1172   -1.0035
            8   C8x C    -0.3828   -1.1483
            9   C8y C    -1.0931    0.0931
            10  C8x C     2.4310   -0.2552
            11  C8x C     2.2931    1.1724
            12  O1a O     0.9897    1.7621
            13  C8y C    -1.0966   -0.7310
            14  C8x C    -1.8035    0.5069
            15  C8y C     2.7759    0.5000
            16  C8x C    -1.8035   -1.1448
            17  C8y C    -2.5207    0.0931
            18  O1a O     3.5966    0.5793
            19  C8y C    -2.5207   -0.7310
            20  O1a O    -3.2345    0.5069
            21  O1a O    -3.2345   -1.1448
BOND        24
            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     3   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12    8  13 1
            13    9  14 1
            14   10  15 2
            15   13  16 1
            16   14  17 2
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   19  21 1
            21    5   7 1
            22    9  13 2
            23   11  15 1
            24   17  19 1


entry: C08729
name: --- - Rosinidin
formula: C17H15O6
kcf:
ATOM        23
            1   C8y C    -1.1862    0.0069
            2   C8y C    -1.1897   -0.8241
            3   O2x O    -0.4655    0.4207 #+
            4   C8x C    -1.9000    0.4241
            5   C8x C    -0.4724   -1.2379
            6   C8y C    -1.9000   -1.2345
            7   C8y C     0.2483    0.0000
            8   C8y C    -2.6207    0.0069
            9   C8y C     0.2448   -0.8276
            10  C8x C    -2.6207   -0.8241
            11  O1a O    -1.9000   -2.0655
            12  C8y C     0.9690    0.4138
            13  O2a O    -3.3414    0.4241
            14  O1a O     0.9621   -1.2448
            15  C8x C     1.6828   -0.0069
            16  C8x C     0.9690    1.2414
            17  C1a C    -4.0586    0.0069
            18  C8y C     2.4035    0.4069
            19  C8x C     1.6897    1.6517
            20  C8y C     2.4069    1.2345
            21  O2a O     3.1207   -0.0138
            22  O1a O     3.1276    1.6448
            23  C1a C     3.8414    0.4000
BOND        25
            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 2
            8     5   9 2
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   12  15 2
            15   12  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 2
            19   18  20 2
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23    7   9 1
            24    8  10 1
            25   19  20 1


entry: C08730
name: --- - Sulphuretin - Sulfuretin
formula: C15H10O5
kcf:
ATOM        20
            1   C8y C    -1.4828    0.3069
            2   C8y C    -1.4862   -0.5207
            3   O2x O    -0.6931    0.5552
            4   C8x C    -2.2000    0.7172
            5   C5x C    -0.7034   -0.7828
            6   C8x C    -2.2000   -0.9414
            7   C2y C    -0.2103   -0.1172
            8   C8y C    -2.9138    0.3069
            9   O5x O    -0.4483   -1.5759
            10  C8x C    -2.9138   -0.5241
            11  C2b C     0.5069   -0.5310
            12  O1a O    -3.6345    0.7172
            13  C8y C     1.2276   -0.1172
            14  C8x C     1.9414   -0.5310
            15  C8x C     1.2207    0.7138
            16  C8y C     2.6552   -0.1172
            17  C8x C     1.9414    1.1276
            18  C8y C     2.6552    0.7138
            19  O1a O     3.3724   -0.5310
            20  O1a O     3.3724    1.1276
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     6  10 2
            10    7  11 2
            11    8  12 1
            12   11  13 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   16  19 1
            19   18  20 1
            20    5   7 1
            21    8  10 1
            22   17  18 1


entry: C08731
name: --- - Xenognosin A
formula: C16H16O3
kcf:
ATOM        19
            1   C8y C    -0.8655   -0.7207
            2   C8y C    -1.5828   -1.1345
            3   C8x C    -0.8655    0.1069
            4   C1b C    -0.1483   -1.1345
            5   C8x C    -2.3034   -0.7207
            6   O2a O    -1.5828   -1.9621
            7   C8x C    -1.5828    0.5241
            8   C2b C     0.5655   -0.7207
            9   C8y C    -2.3034    0.1069
            10  C1a C    -2.3000   -2.3793
            11  C2b C     0.5655    0.1103
            12  O1a O    -3.0207    0.5241
            13  C8y C     1.2828    0.5276
            14  C8x C     2.0000    0.1069
            15  C8x C     1.2793    1.3517
            16  C8x C     2.7172    0.5241
            17  C8x C     1.9966    1.7655
            18  C8y C     2.7172    1.3552
            19  O1a O     3.4345    1.7655
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     4   8 1
            8     5   9 2
            9     6  10 1
            10    8  11 2
            11    9  12 1
            12   11  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    7   9 1
            20   17  18 1


entry: C08732
name: --- - Albafuran A
formula: C24H26O4
kcf:
ATOM        28
            1   C8y C     1.3828    1.0069
            2   C8y C     0.5517    1.0035
            3   C8y C     1.7966    0.2862
            4   C8x C     1.7931    1.7207
            5   C8x C     0.0690    1.6759
            6   O2x O     0.0724    0.3310
            7   C8y C     2.6241    0.2862
            8   C1b C     1.3793   -0.4310
            9   C8y C     2.6241    1.7241
            10  C8y C    -0.7172    1.4172
            11  C8y C    -0.7138    0.5931
            12  C8x C     3.0414    1.0035
            13  O1a O     3.0379   -0.4310
            14  C2b C     0.5517   -0.4345
            15  O1a O     3.0379    2.4448
            16  C8x C    -1.4345    1.8310
            17  C8x C    -1.4276    0.1759
            18  C2c C     0.1414   -1.1448
            19  C8x C    -2.1517    1.4138
            20  C8y C    -2.1483    0.5828
            21  C1b C    -0.6897   -1.1483
            22  C1a C     0.5517   -1.8655
            23  O1a O    -2.8621    0.1655
            24  C1b C    -1.1035   -1.8655
            25  C2b C    -1.9345   -1.8655
            26  C2c C    -2.3517   -2.5828
            27  C1a C    -3.1793   -2.5862
            28  C1a C    -1.9345   -3.3000
BOND        30
            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    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 2
            18   16  19 2
            19   17  20 2
            20   18  21 1
            21   18  22 1
            22   20  23 1
            23   21  24 1
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   26  28 1
            28    9  12 2
            29   10  11 2
            30   19  20 1


entry: C08733
name: --- - 2-Hydroxy-4,6-diamino-1,3,5-triazine - Ammeline
formula: C3H5N5O
kcf:
ATOM        9
            1   C8y C    -0.7138   -0.4138
            2   N5x N     0.0000   -0.8241
            3   N5x N    -0.7138    0.4138
            4   N1a N    -1.4276   -0.8241
            5   C8y C     0.7138   -0.4138
            6   C8y C     0.0000    0.8241
            7   N5x N     0.7138    0.4138
            8   N1a N     1.4276   -0.8241
            9   O1a O     0.0034    1.6483
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     6   7 2


entry: C08734
name: --- - 2,4-Dihydroxy-6-amino-1,3,5-triazine - Ammelide
formula: C3H4N4O2
kcf:
ATOM        9
            1   C8y C     0.7172   -0.4172
            2   N5x N     0.0000   -0.8276
            3   N5x N     0.7172    0.4138
            4   N1a N     1.4379   -0.8276
            5   C8y C    -0.7207   -0.4172
            6   C8y C     0.0000    0.8310
            7   N5x N    -0.7207    0.4138
            8   O1a O    -1.4379   -0.8276
            9   O1a O     0.0034    1.6586
BOND        9
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     5   7 2
            7     5   8 1
            8     6   9 1
            9     6   7 1


entry: C08735
name: --- - 2-Chloro-4-hydroxy-6-amino-1,3,5-triazine
formula: C3H3ClN4O
kcf:
ATOM        9
            1   C8y C     0.7138   -0.4138
            2   N5x N     0.0000   -0.8241
            3   N5x N     0.7138    0.4138
            4   N1a N     1.4276   -0.8241
            5   C8y C    -0.7138   -0.4138
            6   C8y C     0.0000    0.8241
            7   N5x N    -0.7138    0.4138
            8   O1a O    -1.4276   -0.8241
            9   X   Cl    0.0034    1.6483
BOND        9
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     5   7 2
            7     5   8 1
            8     6   9 1
            9     6   7 1


entry: C08736
name: --- - 2-Chloro-4,6-dihydroxy-1,3,5-triazine
formula: C3H2ClN3O2
kcf:
ATOM        9
            1   C8y C    -0.7138   -0.4138
            2   N5x N     0.0000   -0.8241
            3   N5x N    -0.7138    0.4138
            4   O1a O    -1.4276   -0.8241
            5   C8y C     0.7138   -0.4138
            6   C8y C     0.0000    0.8241
            7   N5x N     0.7138    0.4138
            8   O1a O     1.4276   -0.8241
            9   X   Cl    0.0034    1.6483
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     6   7 2


entry: C08737
name: --- - Melamine - 2,4,6-Triamino-1,3,5-triazine
formula: C3H6N6
kcf:
ATOM        9
            1   C8y C    -0.7138   -0.4138
            2   N5x N    -0.7138    0.4138
            3   N5x N     0.0000   -0.8241
            4   N1a N    -1.4276   -0.8241
            5   C8y C     0.0000    0.8241
            6   C8y C     0.7138   -0.4138
            7   N5x N     0.7138    0.4138
            8   N1a N     0.0034    1.6483
            9   N1a N     1.4276   -0.8241
BOND        9
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     5   7 2
            7     5   8 1
            8     6   9 1
            9     6   7 1


entry: C08738
name: --- - Albanol A - Mulberrofuran G
formula: C34H26O8
kcf:
ATOM        42
            1   C1y C     1.1690   -0.7862
            2   C1z C     1.1690    0.0379
            3   C1y C     0.4621   -1.2000
            4   C1y C     1.8828   -1.1931
            5   C8y C     1.2034    0.9034
            6   O2x O     0.4517    0.4448
            7   O2x O     1.8828    0.4483
            8   C8y C    -0.2552   -0.7931
            9   C2x C     0.4655   -2.0207
            10  C8y C     2.5966   -0.7828
            11  C1x C     1.8828   -2.0138
            12  C8y C     1.9207    1.3172
            13  C8x C     0.4828    1.3172
            14  C8y C    -0.2586    0.0310
            15  C8y C     2.5966    0.0379
            16  C8y C    -0.9621   -1.2207
            17  C2y C     1.1759   -2.4241
            18  C8x C     3.3034   -1.1931
            19  C8x C     1.9207    2.1448
            20  O1a O     2.6379    0.9034
            21  C8x C     0.4828    2.1448
            22  C8x C    -0.9828    0.4379
            23  C8x C     3.3069    0.4448
            24  C8x C    -1.6828   -0.8138
            25  O1a O    -0.9517   -2.0483
            26  C1a C     1.1793   -3.2517
            27  C8x C     4.0138   -0.7828
            28  C8y C     1.2034    2.5621
            29  C8y C    -1.6931    0.0172
            30  C8y C     4.0172    0.0345
            31  O1a O     1.2034    3.3897
            32  C8y C    -2.4172    0.4241
            33  O1a O     4.7310    0.4483
            34  O2x O    -2.9103   -0.2448
            35  C8x C    -2.9035    1.1000
            36  C8y C    -3.7000    0.0138
            37  C8y C    -3.6966    0.8448
            38  C8x C    -4.4103   -0.4000
            39  C8x C    -4.4103    1.2586
            40  C8y C    -5.1310    0.0172
            41  C8x C    -5.1310    0.8448
            42  O1a O    -5.8448   -0.4000
BOND        49
            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
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 2
            12    5  13 1
            13    6  14 1
            14    7  15 1
            15    8  16 1
            16    9  17 2
            17   10  18 1
            18   12  19 1
            19   12  20 1
            20   13  21 2
            21   14  22 1
            22   15  23 1
            23   16  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 2
            27   19  28 2
            28   22  29 2
            29   23  30 2
            30   28  31 1
            31   29  32 1
            32   30  33 1
            33   32  34 1
            34   32  35 2
            35   34  36 1
            36   35  37 1
            37   36  38 1
            38   37  39 1
            39   38  40 2
            40   39  41 2
            41   40  42 1
            42    8  14 2
            43   10  15 2
            44   11  17 1
            45   21  28 1
            46   24  29 1
            47   27  30 1
            48   36  37 2
            49   40  41 1


entry: C08739
name: --- - alpha-Cotonefuran
formula: C15H14O6
kcf:
ATOM        21
            1   C8y C     0.3828    0.8345
            2   C8y C     0.3828    0.0448
            3   C8y C    -0.9828    0.8414
            4   C8x C     1.0759    1.2310
            5   C8y C     1.0690   -0.3552
            6   O2x O    -0.2966   -0.3552
            7   C8y C    -0.9828    0.0483
            8   C8x C    -1.6655    1.2345
            9   C8y C     1.7586    0.8310
            10  C8y C     1.7552    0.0379
            11  O2a O     1.0690   -1.1793
            12  C8y C    -1.6655   -0.3517
            13  C8x C    -2.3517    0.8414
            14  O1a O     2.4759    1.2414
            15  O2a O     2.4690   -0.3759
            16  C1a C     1.7793   -1.5931
            17  C8y C    -2.3517    0.0483
            18  O2a O    -1.6621   -1.1414
            19  C1a C     3.1862    0.0345
            20  O1a O    -3.0655   -0.3621
            21  C1a C    -2.3759   -1.5586
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 2
            9     5  10 2
            10    5  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   12  17 2
            17   12  18 1
            18   15  19 1
            19   17  20 1
            20   18  21 1
            21    6   7 1
            22    9  10 1
            23   13  17 1


entry: C08740
name: --- - beta-Cotonefuran
formula: C16H16O6
kcf:
ATOM        22
            1   C8y C     0.2379    0.8034
            2   C8y C     0.2345    0.0103
            3   C8y C    -1.1276    0.8069
            4   C8x C     0.9276    1.1966
            5   C8y C     0.9241   -0.3897
            6   O2x O    -0.4448   -0.3897
            7   C8y C    -1.1310    0.0138
            8   C8x C    -1.8207    1.1966
            9   C8y C     1.6138    0.7966
            10  C8y C     1.6103    0.0069
            11  O2a O     0.9207   -1.2172
            12  C8y C    -1.8069   -0.3897
            13  C8x C    -2.5035    0.7931
            14  O2a O     2.3276    1.2069
            15  O2a O     2.3241   -0.4069
            16  C1a C     1.6345   -1.6310
            17  C8y C    -2.4931    0.0000
            18  O2a O    -1.7966   -1.1828
            19  C1a C     3.0414    0.7931
            20  C1a C     3.0379    0.0034
            21  O1a O    -3.2034   -0.4172
            22  C1a C    -2.5069   -1.6035
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 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   12  17 2
            17   12  18 1
            18   14  19 1
            19   15  20 1
            20   17  21 1
            21   18  22 1
            22    6   7 1
            23    9  10 1
            24   13  17 1


entry: C08741
name: --- - Dehydrotremetone
formula: C13H12O2
kcf:
ATOM        15
            1   C8y C     0.0966    0.2241
            2   C8y C     0.0931   -0.6034
            3   C8x C     0.8862    0.4759
            4   C8x C    -0.6138    0.6345
            5   O2x O     0.8793   -0.8621
            6   C8x C    -0.6138   -1.0138
            7   C8y C     1.3690   -0.1966
            8   C8y C    -1.3310    0.2241
            9   C8x C    -1.3310   -0.6034
            10  C2c C     2.1931   -0.2000
            11  C5a C    -2.0448    0.6345
            12  C1a C     2.6034   -0.9138
            13  C2a C     2.6103    0.5138
            14  C1a C    -2.0448    1.4621
            15  O5a O    -2.7586    0.2241
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     4   8 2
            8     6   9 2
            9     7  10 1
            10    8  11 1
            11   10  12 1
            12   10  13 2
            13   11  14 1
            14   11  15 2
            15    5   7 1
            16    8   9 1


entry: C08742
name: --- - 2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran
formula: C15H14O6
kcf:
ATOM        21
            1   C8y C     0.5310    0.6379
            2   C8y C     0.5276   -0.1621
            3   C8y C    -0.8517    0.6414
            4   C8x C     1.2241    1.0345
            5   C8y C     1.2207   -0.5621
            6   O2x O    -0.1586   -0.5655
            7   C8y C    -0.8552   -0.1586
            8   C8x C    -1.5379    1.0586
            9   C8y C     1.9172    0.6310
            10  C8y C     1.9138   -0.1655
            11  O2a O     1.2172   -1.3621
            12  C8x C    -1.5690   -0.5414
            13  C8y C    -2.2379    0.6724
            14  O1a O     2.6103    1.0310
            15  O2a O     2.6069   -0.5690
            16  C1a C     1.9103   -1.7690
            17  C8y C    -2.2552   -0.1310
            18  O1a O    -2.9241    1.0862
            19  C1a C     3.3000   -0.1690
            20  O2a O    -2.9552   -0.5207
            21  C1a C    -3.6414   -0.1069
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 2
            9     5  10 2
            10    5  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   12  17 2
            17   13  18 1
            18   15  19 1
            19   17  20 1
            20   20  21 1
            21    6   7 1
            22    9  10 1
            23   13  17 1


entry: C08743
name: --- - Eriobofuran
formula: C14H12O4
kcf:
ATOM        18
            1   C8y C    -0.0034    0.6241
            2   C8y C    -0.0069   -0.1690
            3   C8y C    -1.3724    0.6241
            4   C8x C     0.6828    1.0172
            5   C8y C     0.6759   -0.5690
            6   O2x O    -0.6862   -0.5690
            7   C8y C    -1.3759   -0.1655
            8   C8x C    -2.0586    1.0276
            9   C8y C     1.3690    0.6207
            10  C8y C     1.3655   -0.1759
            11  O2a O     0.6724   -1.3931
            12  C8x C    -2.0621   -0.5586
            13  C8x C    -2.7448    0.6310
            14  O2a O     2.0586    1.0103
            15  O1a O     2.0793   -0.5931
            16  C1a C     1.3862   -1.8069
            17  C8x C    -2.7448   -0.1621
            18  C1a C     2.7690    0.5966
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 2
            9     5  10 2
            10    5  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   12  17 2
            17   14  18 1
            18    6   7 1
            19    9  10 1
            20   13  17 1


entry: C08744
name: --- - 6-Hydroxytremetone
formula: C13H14O3
kcf:
ATOM        16
            1   C8y C     0.2241   -0.5414
            2   C8y C     0.2276    0.2862
            3   O2x O     1.0069   -0.8000
            4   C8x C    -0.4862   -0.9517
            5   C8x C    -0.4862    0.7000
            6   C1x C     1.0138    0.5379
            7   C1y C     1.4966   -0.1310
            8   C8y C    -1.2034   -0.5379
            9   C8y C    -1.2034    0.2862
            10  C2c C     2.3207   -0.1345
            11  O1a O    -1.9172   -0.9517
            12  C5a C    -1.9172    0.7000
            13  C1a C     2.7310   -0.8517
            14  C2a C     2.7379    0.5793
            15  C1a C    -1.9172    1.5241
            16  O5a O    -2.6310    0.2862
BOND        17
            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     7  10 1 #Down
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 2
            14   12  15 1
            15   12  16 2
            16    6   7 1
            17    8   9 1


entry: C08745
name: --- - Lithospermic acid
formula: C27H22O12
kcf:
ATOM        39
            1   C8y C     0.9207   -0.7931
            2   C1y C     1.7103   -0.5414
            3   C8y C     0.9172   -1.6241
            4   C8y C     0.2034   -0.3793
            5   C1y C     2.2000   -1.2172
            6   C6a C     1.9690    0.2483
            7   O2x O     1.7069   -1.8862
            8   C8y C     0.2034   -2.0379
            9   C8x C    -0.5172   -0.7931
            10  C2b C     0.2034    0.4483
            11  C8y C     3.0276   -1.2207
            12  O6a O     2.7828    0.4138
            13  O6a O     1.4207    0.8655
            14  C8x C    -0.5172   -1.6207
            15  O1a O     0.2034   -2.8690
            16  C2b C    -0.5138    0.8655
            17  C8x C     3.4414   -0.5034
            18  C8x C     3.4345   -1.9414
            19  C7a C    -0.5138    1.6965
            20  C8y C     4.2690   -0.5069
            21  C8x C     4.2621   -1.9448
            22  O7a O    -1.2276    2.1103
            23  O7a O     0.2069    2.1069
            24  C8y C     4.6828   -1.2276
            25  O1a O     4.6897    0.2103
            26  C1c C    -1.9448    1.6965
            27  O1a O     5.5103   -1.2310
            28  C1b C    -2.6621    2.1103
            29  C6a C    -1.9483    0.8690
            30  C8y C    -3.3828    1.7000
            31  O6a O    -1.2276    0.4517
            32  O6a O    -2.6655    0.4517
            33  C8x C    -3.3793    0.8690
            34  C8x C    -4.0966    2.1103
            35  C8y C    -4.1000    0.4517
            36  C8x C    -4.8172    1.7000
            37  C8y C    -4.8172    0.8690
            38  O1a O    -4.1000   -0.3759
            39  O1a O    -5.5379    0.4552
BOND        42
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Either
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1 #Either
            11    6  12 1
            12    6  13 2
            13    8  14 2
            14    8  15 1
            15   10  16 2
            16   11  17 1
            17   11  18 2
            18   16  19 1
            19   17  20 2
            20   18  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   20  25 1
            25   22  26 1
            26   24  27 1
            27   26  28 1
            28   26  29 1 #Up
            29   28  30 1
            30   29  31 1
            31   29  32 2
            32   30  33 1
            33   30  34 2
            34   33  35 2
            35   34  36 1
            36   35  37 1
            37   35  38 1
            38   37  39 1
            39    5   7 1
            40    9  14 1
            41   21  24 2
            42   36  37 2


entry: C08746
name: --- - Ailanthinone
formula: C25H34O9
kcf:
ATOM        34
            1   C1z C    -0.2379   -0.1931
            2   C1y C    -0.9586    0.2345
            3   C1y C     0.4966    0.2207
            4   C1y C    -0.2414   -1.0310
            5   C1x C     0.0207    0.3759
            6   C1z C    -1.6931   -0.1828
            7   C1z C    -0.9517    1.0724
            8   C1y C     1.2207   -0.2034
            9   C1y C     0.5034    1.0621
            10  C1x C    -0.9655   -1.4552
            11  O7x O     0.4828   -1.4586
            12  O2x O    -0.3034    1.0207
            13  C1y C    -1.6965   -1.0241
            14  C1y C    -2.4172    0.2379
            15  C1a C    -1.7000    0.6586
            16  C1y C    -0.2241    1.4862
            17  O1a O    -1.6862    1.4966
            18  C7x C     1.2552   -1.0448
            19  O7a O     1.9552    0.2103
            20  C1a C     1.2310    1.4759
            21  C2y C    -2.4172   -1.4517
            22  C5x C    -3.1483   -0.1828
            23  O1a O    -2.4241    1.0793
            24  O1a O    -0.2276    2.3310
            25  O7x O     1.9414   -1.4724
            26  C7a C     2.6793   -0.2138
            27  C2x C    -3.1483   -1.0241
            28  C1a C    -2.4138   -2.2931
            29  O5x O    -3.8759    0.2379
            30  C1c C     3.4103    0.2069
            31  O7a O     2.6793   -1.0552
            32  C1b C     4.1345   -0.2172
            33  C1a C     3.8276    0.9379
            34  C1a C     4.8621    0.2000
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Down
            20   13  21 1
            21   14  22 1
            22   14  23 1 #Up
            23   16  24 1 #Down
            24   18  25 2
            25   19  26 1
            26   21  27 2
            27   21  28 1
            28   22  29 2
            29   26  30 1
            30   26  31 2
            31   30  32 1
            32   30  33 1
            33   32  34 1
            34    7  12 1 #Up
            35    9  16 1
            36   10  13 1
            37   11  18 1
            38   22  27 1


entry: C08747
name: --- - Ailanthone
formula: C20H24O7
kcf:
ATOM        27
            1   C1z C     0.6483   -0.1966
            2   C1y C    -0.0897    0.2310
            3   C1y C     0.6448   -1.0448
            4   C1y C     1.3897    0.2207
            5   C1x C     0.8517    0.4552
            6   C1z C    -0.8172   -0.1897
            7   C1z C    -0.0724    1.0862
            8   C1x C    -0.0862   -1.4690
            9   O7x O     1.3793   -1.4724
            10  C2y C     1.3966    1.0724
            11  C1x C     2.1241   -0.2069
            12  O2x O     0.4621    1.0138
            13  C1y C    -0.8207   -1.0379
            14  C1y C    -1.5552    0.2345
            15  C1a C    -0.8241    0.6655
            16  C1y C     0.6690    1.5035
            17  O1a O    -0.8103    1.5103
            18  C7x C     2.1172   -1.0552
            19  C2a C     2.1379    1.4931
            20  C2y C    -1.5552   -1.4655
            21  C5x C    -2.2897   -0.1897
            22  O1a O    -1.5517    1.0897
            23  O1a O     0.6759    2.3517
            24  O7x O     2.8483   -1.4862
            25  C2x C    -2.2897   -1.0379
            26  C1a C    -1.5517   -2.3138
            27  O5x O    -3.0276    0.2414
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     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    9  18 1
            18   10  19 2
            19   13  20 1
            20   14  21 1
            21   14  22 1 #Up
            22   16  23 1 #Down
            23   18  24 2
            24   20  25 2
            25   20  26 1
            26   21  27 2
            27    7  12 1 #Up
            28    8  13 1
            29   10  16 1
            30   11  18 1
            31   21  25 1


entry: C08748
name: --- - Azadirachtin A - Azadirachtin
formula: C35H44O16
kcf:
ATOM        51
            1   C1z C     2.3690    0.0897
            2   C1z C     0.6034   -0.3310
            3   C1z C     2.3655    0.8724
            4   C1y C     2.9966   -0.4034
            5   O2x O     1.6931    0.4759
            6   C1y C    -0.0966    0.0759
            7   C1y C     0.6000   -1.1276
            8   C1a C     1.3000   -0.7345
            9   C1y C     2.9897    1.3724
            10  C1a C     2.3621    1.6621
            11  C1x C     3.4172    0.4621
            12  O2x O     3.7690   -0.2172
            13  C1z C    -0.7931   -0.3241
            14  C1z C    -0.1034    0.8759
            15  C1y C    -0.1000   -1.5241
            16  O1a O     1.3000   -1.5379
            17  C1z C     3.7655    1.2034
            18  C1y C     4.1000    0.4966
            19  C1y C    -0.7931   -1.1276
            20  C1y C    -1.4793    0.0793
            21  C1x C    -1.0448    0.4793
            22  O2x O    -0.8069    1.2724
            23  C7a C     0.5862    1.2793
            24  O1a O     0.5931    0.4724
            25  O2x O    -0.3207   -2.3103
            26  C2x C     4.3310    1.7414
            27  O1a O     3.3897    1.9655
            28  O2x O     4.8759    0.6034
            29  C1z C    -1.4828   -1.5241
            30  C1x C    -2.1793   -0.3241
            31  O7a O    -1.4897    0.8759
            32  O7a O     0.5793    2.1000
            33  O7a O     1.2931    0.8759
            34  C1x C    -1.2759   -2.3103
            35  C2x C     5.0207    1.3724
            36  C1y C    -2.1793   -1.1276
            37  C7a C    -1.8931   -2.2207
            38  C7a C    -2.1828    1.2759
            39  C1a C     1.2793    2.5138
            40  O7a O    -2.8724   -1.5241
            41  O7a O    -2.7034   -2.2138
            42  O7a O    -1.4966   -2.9241
            43  C2c C    -2.8724    0.8759
            44  O7a O    -2.1828    2.0793
            45  C7a C    -3.5690   -1.1207
            46  C1a C    -3.1138   -2.9069
            47  C2b C    -3.5690    1.2759
            48  C1a C    -2.8793    0.0793
            49  C1a C    -4.2621   -1.5172
            50  O7a O    -3.5690   -0.3207
            51  C1a C    -4.2621    0.8759
BOND        58
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1 #Down
            10    4  11 1 #Up
            11    4  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16    9  17 1
            17   12  18 1
            18   13  19 1
            19   13  20 1
            20   13  21 1 #Up
            21   14  22 1
            22   14  23 1 #Down
            23   14  24 1 #Up
            24   15  25 1
            25   17  26 1
            26   17  27 1 #Down
            27   18  28 1
            28   19  29 1
            29   20  30 1
            30   20  31 1 #Down
            31   23  32 1
            32   23  33 2
            33   25  34 1
            34   26  35 2
            35   29  36 1
            36   29  37 1 #Up
            37   31  38 1
            38   32  39 1
            39   36  40 1 #Down
            40   37  41 1
            41   37  42 2
            42   38  43 1
            43   38  44 2
            44   40  45 1
            45   41  46 1
            46   43  47 2
            47   43  48 1
            48   45  49 1
            49   45  50 2
            50   47  51 1
            51    3   5 1 #Up
            52    9  11 1 #Up
            53   15  19 1
            54   17  18 1
            55   21  22 1
            56   28  35 1
            57   29  34 1
            58   30  36 1


entry: C08749
name: --- - Bruceantin
formula: C28H36O11
kcf:
ATOM        39
            1   C1z C    -0.5966   -0.2276
            2   C1y C     0.1276    0.1828
            3   C1y C    -1.3103    0.1931
            4   C1y C    -0.6000   -1.0552
            5   C1x C    -1.0207    0.5000
            6   C1z C     0.1345    1.0138
            7   C1y C     0.8483   -0.2379
            8   C1z C    -2.0345   -0.2207
            9   C1y C    -1.3035    1.0241
            10  C1x C    -1.3172   -1.4724
            11  O7x O     0.1172   -1.4793
            12  O2x O    -0.7000    1.0138
            13  C1y C    -0.5828    1.4345
            14  C7a C     0.8552    1.4310
            15  C7x C     0.8414   -1.0690
            16  O7a O     1.5655    0.1690
            17  C1y C    -2.0379   -1.0517
            18  C1x C    -2.7552    0.1966
            19  C1a C    -2.0414    0.6138
            20  O1a O    -2.0207    1.4483
            21  O1a O    -0.5759    2.2690
            22  O7a O     1.5759    1.0138
            23  O7a O     0.8552    2.2655
            24  O7x O     1.5621   -1.4931
            25  C7a C     2.2862   -0.2448
            26  C2y C    -2.7552   -1.4690
            27  C5x C    -3.4793   -0.2207
            28  C1a C     2.2931    1.4345
            29  C2b C     2.9966    0.1690
            30  O7a O     2.2862   -1.0759
            31  C2y C    -3.4793   -1.0517
            32  C1a C    -2.7517   -2.3034
            33  O5x O    -4.1966    0.1966
            34  C2c C     3.7103   -0.2448
            35  O1a O    -4.1966   -1.4690
            36  C1c C     4.4241    0.1690
            37  C1a C     3.7103   -1.0690
            38  C1a C     5.1345   -0.2448
            39  C1a C     4.4241    0.9931
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 1
            27   22  28 1
            28   25  29 1
            29   25  30 2
            30   26  31 2
            31   26  32 1
            32   27  33 2
            33   29  34 2
            34   31  35 1
            35   34  36 1
            36   34  37 1
            37   36  38 1
            38   36  39 1
            39    6  12 1 #Up
            40    9  13 1
            41   10  17 1
            42   11  15 1
            43   27  31 1


entry: C08750
name: --- - Bruceantinol
formula: C30H38O13
kcf:
ATOM        43
            1   C1z C    -1.1241   -0.2724
            2   C1y C    -0.4034    0.1379
            3   C1y C    -1.8414    0.1517
            4   C1y C    -1.1276   -1.1000
            5   C1x C    -1.5448    0.4586
            6   C1z C    -0.3966    0.9690
            7   C1y C     0.3172   -0.2828
            8   C1z C    -2.5655   -0.2621
            9   C1y C    -1.8345    0.9828
            10  C1x C    -1.8483   -1.5172
            11  O7x O    -0.4138   -1.5241
            12  O2x O    -1.2310    0.9690
            13  C1y C    -1.1103    1.3897
            14  C7a C     0.3207    1.3862
            15  C7x C     0.3103   -1.1138
            16  O7a O     1.0345    0.1276
            17  C1y C    -2.5690   -1.0966
            18  C1x C    -3.2862    0.1517
            19  C1a C    -2.5724    0.5690
            20  O1a O    -2.5552    1.4034
            21  O1a O    -1.1035    2.2241
            22  O7a O     1.0414    0.9690
            23  O7a O     0.3207    2.2207
            24  O7x O     1.0276   -1.5379
            25  C7a C     1.7483   -0.2828
            26  C2y C    -3.2862   -1.5138
            27  C5x C    -4.0069   -0.2621
            28  C1a C     1.7621    1.3897
            29  C2b C     2.4690    0.1345
            30  O7a O     1.7517   -1.1172
            31  C2y C    -4.0069   -1.0966
            32  C1a C    -3.2862   -2.3483
            33  O5x O    -4.7310    0.1552
            34  C2c C     3.1897   -0.2793
            35  O1a O    -4.7310   -1.5138
            36  C1d C     3.9103    0.1379
            37  C1a C     3.1931   -1.1138
            38  O7a O     4.6276   -0.2759
            39  C1a C     4.3241    0.8621
            40  C1a C     3.4897    0.8621
            41  C7a C     5.3483    0.1414
            42  C1a C     6.0690   -0.2724
            43  O7a O     5.3483    0.9759
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 1
            27   22  28 1
            28   25  29 1
            29   25  30 2
            30   26  31 2
            31   26  32 1
            32   27  33 2
            33   29  34 2
            34   31  35 1
            35   34  36 1
            36   34  37 1
            37   36  38 1
            38   36  39 1
            39   36  40 1
            40   38  41 1
            41   41  42 1
            42   41  43 2
            43    6  12 1 #Up
            44    9  13 1
            45   10  17 1
            46   11  15 1
            47   27  31 1


entry: C08751
name: --- - Bruceine B
formula: C23H28O11
kcf:
ATOM        34
            1   C1z C     0.0276   -0.2379
            2   C1y C     0.7552    0.1759
            3   C1y C    -0.7000    0.1862
            4   C1y C     0.0241   -1.0759
            5   C1x C    -0.2517    0.4069
            6   C1z C     0.7621    1.0138
            7   C1y C     1.4862   -0.2517
            8   C1z C    -1.4276   -0.2310
            9   C1y C    -0.6931    1.0241
            10  C1x C    -0.7069   -1.5000
            11  O7x O     0.7448   -1.5069
            12  O2x O     0.0931    1.0000
            13  C1y C     0.0414    1.4379
            14  C7a C     1.4897    1.4345
            15  C7x C     1.4759   -1.0931
            16  O7a O     2.2069    0.1724
            17  C1y C    -1.4310   -1.0724
            18  C1x C    -2.1552    0.1897
            19  C1a C    -1.4345    0.6103
            20  O1a O    -1.4172    1.4517
            21  O1a O     0.0483    2.2793
            22  O7a O     2.2138    1.0172
            23  O7a O     1.4862    2.2759
            24  O7x O     2.2000   -1.5207
            25  C7a C     2.9345   -0.2483
            26  C2y C    -2.1552   -1.5000
            27  C5x C    -2.8862   -0.2310
            28  C1a C     2.9448    1.4414
            29  C1a C     3.6621    0.1724
            30  O7a O     2.9345   -1.0931
            31  C2y C    -2.8862   -1.0724
            32  C1a C    -2.1552   -2.3414
            33  O5x O    -3.6172    0.1897
            34  O1a O    -3.6172   -1.5000
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 1
            27   22  28 1
            28   25  29 1
            29   25  30 2
            30   26  31 2
            31   26  32 1
            32   27  33 2
            33   31  34 1
            34    6  12 1 #Up
            35    9  13 1
            36   10  17 1
            37   11  15 1
            38   27  31 1


entry: C08752
name: --- - Bruceine D
formula: C20H26O9
kcf:
ATOM        29
            1   C1z C     0.5069   -0.1793
            2   C1y C    -0.2138    0.2414
            3   C1z C     1.2345    0.2310
            4   C1y C     0.5034   -1.0138
            5   C1x C     0.1517    0.4207
            6   C1z C    -0.9414   -0.1724
            7   C1y C    -0.2103    1.0759
            8   C1z C     1.2414    1.0655
            9   C1y C     1.9552   -0.1897
            10  O1a O     1.2276   -0.6034
            11  C1x C    -0.2241   -1.4345
            12  O7x O     1.2241   -1.4379
            13  O2x O     0.6138    1.0966
            14  C1y C    -0.9448   -1.0103
            15  C1y C    -1.6655    0.2448
            16  C1a C    -0.9483    0.6655
            17  C1y C     0.5207    1.4897
            18  O1a O    -0.9276    1.5035
            19  C1a C     1.9621    1.4897
            20  C7x C     1.9483   -1.0276
            21  O1a O     2.6862    0.2207
            22  C2y C    -1.6655   -1.4310
            23  C5x C    -2.3931   -0.1724
            24  O1a O    -1.6724    1.0828
            25  O1a O     0.5276    2.3276
            26  O7x O     2.6724   -1.4552
            27  C2x C    -2.3931   -1.0103
            28  C1a C    -1.6621   -2.2690
            29  O5x O    -3.1172    0.2448
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 1
            12    5  13 1
            13    6  14 1
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1
            17    7  18 1 #Up
            18    8  19 1
            19    9  20 1
            20    9  21 1 #Up
            21   14  22 1
            22   15  23 1
            23   15  24 1 #Up
            24   17  25 1 #Down
            25   20  26 2
            26   22  27 2
            27   22  28 1
            28   23  29 2
            29    8  13 1 #Up
            30    8  17 1
            31   11  14 1
            32   12  20 1
            33   23  27 1


entry: C08753
name: --- - Bruceoside A
formula: C32H42O16
kcf:
ATOM        48
            1   C1z C     0.9690   -0.4897
            2   C1y C     1.6897   -0.0793
            3   C1y C     0.2414   -0.0690
            4   C1y C     0.9621   -1.3172
            5   C1x C     0.6172    0.1069
            6   C1z C     1.6965    0.7517
            7   C1y C     2.4103   -0.5000
            8   C1z C    -0.4724   -0.4793
            9   C1y C     0.2586    0.7655
            10  C1x C     0.2448   -1.7345
            11  O7x O     1.6793   -1.7379
            12  O2x O     0.8621    0.7517
            13  C1y C     0.9828    1.1759
            14  C7a C     2.4172    1.1690
            15  C7x C     2.4035   -1.3310
            16  O7a O     3.1276   -0.0931
            17  C1y C    -0.4759   -1.3138
            18  C2x C    -1.1931   -0.0621
            19  C1a C    -0.4793    0.3517
            20  O1a O    -0.4586    1.1931
            21  O1a O     0.9897    2.0069
            22  O7a O     3.1379    0.7517
            23  O7a O     2.4172    2.0035
            24  O7x O     3.1241   -1.7552
            25  C7a C     3.8448   -0.5034
            26  C1y C    -1.1931   -1.7310
            27  C2y C    -1.9138   -0.4793
            28  C1a C     3.8586    1.1690
            29  C2b C     4.5655   -0.0862
            30  O7a O     3.8448   -1.3379
            31  C5x C    -1.9138   -1.3138
            32  C1a C    -1.1897   -2.5621
            33  O2a O    -2.6379   -0.0621
            34  C2c C     5.2862   -0.5000
            35  O5x O    -2.6379   -1.7310
            36  C1y C    -3.3586    0.3552
            37  C1a C     6.0069   -0.0828
            38  C1a C     5.2828   -1.3345
            39  O2x O    -3.3621    1.1793
            40  C1y C    -4.0724   -0.0621
            41  C1y C    -4.0793    1.5897
            42  C1y C    -4.7897    0.3483
            43  O1a O    -4.0690   -0.8862
            44  C1y C    -4.7931    1.1724
            45  C1b C    -4.0828    2.4138
            46  O1a O    -5.5000   -0.0690
            47  O1a O    -5.5103    1.5828
            48  O1a O    -4.7966    2.8241
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 2
            27   22  28 1
            28   25  29 1
            29   25  30 2
            30   26  31 1
            31   26  32 1 #Down
            32   27  33 1
            33   29  34 2
            34   31  35 2
            35   36  33 1 #Up
            36   34  37 1
            37   34  38 1
            38   36  39 1
            39   36  40 1
            40   39  41 1
            41   40  42 1
            42   40  43 1 #Down
            43   41  44 1
            44   41  45 1 #Up
            45   42  46 1 #Up
            46   44  47 1 #Down
            47   45  48 1
            48    6  12 1 #Up
            49    9  13 1
            50   10  17 1
            51   11  15 1
            52   27  31 1
            53   42  44 1


entry: C08754
name: --- - Brusatol
formula: C26H32O11
kcf:
ATOM        37
            1   C1z C    -0.3552   -0.2034
            2   C1y C     0.3724    0.2172
            3   C1y C    -1.0897    0.2241
            4   C1y C    -0.3621   -1.0448
            5   C1x C    -0.4172    0.3655
            6   C1z C     0.3828    1.0586
            7   C1y C     1.0966   -0.2138
            8   C1z C    -1.8207   -0.1931
            9   C1y C    -1.0793    1.0690
            10  C1x C    -1.0931   -1.4655
            11  O7x O     0.3655   -1.4724
            12  O2x O    -0.1586    1.0069
            13  C1y C    -0.3414    1.4862
            14  C7a C     1.1207    1.4724
            15  C7x C     1.0966   -1.0586
            16  O7a O     1.8138    0.1931
            17  C1y C    -1.8241   -1.0414
            18  C1x C    -2.5517    0.2276
            19  C1a C    -1.8276    0.6517
            20  O1a O    -1.8138    1.4966
            21  O1a O    -0.3379    2.3345
            22  O7a O     1.8414    1.0414
            23  O7a O     1.1276    2.3172
            24  O7x O     1.8310   -1.4828
            25  C7a C     2.5448   -0.2207
            26  C2y C    -2.5517   -1.4621
            27  C5x C    -3.2862   -0.1931
            28  C1a C     2.5690    1.4690
            29  C2b C     3.2759    0.2000
            30  O7a O     2.5448   -1.0724
            31  C2y C    -3.2862   -1.0414
            32  C1a C    -2.5517   -2.3103
            33  O5x O    -4.0207    0.2276
            34  C2c C     4.0069   -0.2172
            35  O1a O    -4.0207   -1.4621
            36  C1a C     4.7379    0.2034
            37  C1a C     4.0069   -1.0690
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 1
            27   22  28 1
            28   25  29 1
            29   25  30 2
            30   26  31 2
            31   26  32 1
            32   27  33 2
            33   29  34 2
            34   31  35 1
            35   34  36 1
            36   34  37 1
            37    6  12 1 #Up
            38    9  13 1
            39   10  17 1
            40   11  15 1
            41   27  31 1


entry: C08755
name: --- - Castelanone
formula: C25H34O9
kcf:
ATOM        34
            1   C1z C    -0.2345   -0.1379
            2   C1y C    -0.9621    0.2897
            3   C1y C     0.5000    0.2793
            4   C1y C    -0.2414   -0.9828
            5   C1x C    -0.0828    0.4690
            6   C1z C    -1.6931   -0.1276
            7   C1z C    -0.9552    1.1345
            8   C1y C     1.2310   -0.1517
            9   C1y C     0.5069    1.1241
            10  C1x C    -0.9690   -1.4000
            11  O7x O     0.4897   -1.4069
            12  O2x O    -0.4241    1.1103
            13  C1y C    -1.6965   -0.9759
            14  C1y C    -2.4276    0.2931
            15  C1a C    -1.7035    0.7172
            16  C1y C    -0.2172    1.5517
            17  O1a O    -1.6828    1.5655
            18  C7x C     1.2241   -0.9931
            19  O7a O     1.9517    0.2517
            20  C1a C     1.2414    1.5414
            21  C2y C    -2.4276   -1.3966
            22  C5x C    -3.1586   -0.1276
            23  O1a O    -2.4276    1.1379
            24  O1a O    -0.2103    2.3966
            25  O7x O     1.9552   -1.4207
            26  C7a C     2.6793   -0.1655
            27  C2x C    -3.1586   -0.9759
            28  C1a C    -2.4241   -2.2448
            29  O5x O    -3.8966    0.2931
            30  C1b C     3.4138    0.2552
            31  O7a O     2.6828   -1.0138
            32  C1c C     4.1414   -0.1586
            33  C1a C     4.8759    0.2621
            34  C1a C     4.1448   -1.0103
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Down
            20   13  21 1
            21   14  22 1
            22   14  23 1 #Up
            23   16  24 1 #Down
            24   18  25 2
            25   19  26 1
            26   21  27 2
            27   21  28 1
            28   22  29 2
            29   26  30 1
            30   26  31 2
            31   30  32 1
            32   32  33 1
            33   32  34 1
            34    7  12 1 #Up
            35    9  16 1
            36   10  13 1
            37   11  18 1
            38   22  27 1


entry: C08756
name: --- - Chaparrin
formula: C20H28O7
kcf:
ATOM        27
            1   C1z C     0.6586   -0.1966
            2   C1y C    -0.0759    0.2379
            3   C1y C     0.6552   -1.0414
            4   C1y C     1.3966    0.2207
            5   C1x C     0.7690    0.4172
            6   C1z C    -0.8138   -0.1897
            7   C1z C    -0.0690    1.0862
            8   C1x C    -0.0828   -1.4655
            9   O7x O     1.3862   -1.4724
            10  C1y C     1.4034    1.0724
            11  C1x C     2.1310   -0.2069
            12  O2x O     0.3862    1.0172
            13  C1y C    -0.8172   -1.0379
            14  C1y C    -1.5448    0.2414
            15  C1a C    -0.8207    0.6655
            16  C1y C     0.6724    1.5035
            17  O1a O    -0.8000    1.5172
            18  C7x C     2.1207   -1.0552
            19  C1a C     2.1414    1.4931
            20  C2y C    -1.5448   -1.4621
            21  C1y C    -2.2862   -0.1897
            22  O1a O    -1.5448    1.0897
            23  O1a O     0.6793    2.3552
            24  O7x O     2.8586   -1.4862
            25  C2x C    -2.2862   -1.0379
            26  C1a C    -1.5517   -2.3138
            27  O1a O    -3.0207    0.2414
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     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    9  18 1
            18   10  19 1 #Down
            19   13  20 1
            20   14  21 1
            21   14  22 1 #Up
            22   16  23 1 #Down
            23   18  24 2
            24   20  25 2
            25   20  26 1
            26   21  27 1 #Down
            27    7  12 1 #Up
            28    8  13 1
            29   10  16 1
            30   11  18 1
            31   21  25 1


entry: C08757
name: --- - Chaparrinone
formula: C20H26O7
kcf:
ATOM        27
            1   C1z C     0.6414   -0.2000
            2   C1y C    -0.0828    0.2310
            3   C1y C     0.6379   -1.0414
            4   C1y C     1.3793    0.2172
            5   C1x C     0.8862    0.4966
            6   C1z C    -0.8172   -0.1897
            7   C1z C    -0.0759    1.0724
            8   C1x C    -0.0897   -1.4621
            9   O7x O     1.3690   -1.4690
            10  C1y C     1.3862    1.0621
            11  C1x C     2.1103   -0.2103
            12  O2x O     0.5000    1.0483
            13  C1y C    -0.8207   -1.0379
            14  C1y C    -1.5483    0.2310
            15  C1a C    -0.8241    0.6586
            16  C1y C     0.6586    1.4897
            17  O1a O    -0.8034    1.5035
            18  C7x C     2.1000   -1.0552
            19  C1a C     2.1207    1.4793
            20  C2y C    -1.5483   -1.4586
            21  C5x C    -2.2828   -0.1897
            22  O1a O    -1.5483    1.0793
            23  O1a O     0.6655    2.3379
            24  O7x O     2.8310   -1.4828
            25  C2x C    -2.2828   -1.0379
            26  C1a C    -1.5483   -2.3034
            27  O5x O    -3.0172    0.2345
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     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    9  18 1
            18   10  19 1 #Down
            19   13  20 1
            20   14  21 1
            21   14  22 1 #Up
            22   16  23 1 #Down
            23   18  24 2
            24   20  25 2
            25   20  26 1
            26   21  27 2
            27    7  12 1 #Up
            28    8  13 1
            29   10  16 1
            30   11  18 1
            31   21  25 1


entry: C08758
name: --- - Chaparrolide
formula: C20H30O6
kcf:
ATOM        26
            1   C1y C    -0.0552    0.2586
            2   C1z C     0.6586   -0.1586
            3   C1z C    -0.7759   -0.1517
            4   C5x C    -0.0483    1.0862
            5   C1y C     1.3793    0.2448
            6   C1y C     0.6552   -0.9862
            7   C1a C     0.6517    0.6724
            8   C1y C    -0.7793   -0.9793
            9   C1y C    -1.4897    0.2621
            10  C1a C    -0.7828    0.6759
            11  C1y C     0.6724    1.4931
            12  O5x O    -0.7621    1.5069
            13  C1y C     1.3862    1.0724
            14  C1x C     2.0966   -0.1724
            15  C1x C    -0.0621   -1.4000
            16  O7x O     1.3690   -1.4069
            17  C1y C    -1.4897   -1.3966
            18  C1y C    -2.2069   -0.1517
            19  O1a O    -1.4897    1.0897
            20  O1a O     0.6793    2.3241
            21  C1a C     2.1069    1.4828
            22  C7x C     2.0897   -0.9966
            23  C1x C    -2.2069   -0.9793
            24  C1a C    -1.4897   -2.2276
            25  O1a O    -2.9241    0.2621
            26  O7x O     2.8034   -1.4207
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 2
            12    5  13 1
            13    5  14 1
            14    6  15 1
            15    6  16 1
            16    8  17 1
            17    9  18 1
            18    9  19 1 #Up
            19   11  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   17  23 1
            23   17  24 1 #Down
            24   18  25 1 #Down
            25   22  26 2
            26    8  15 1
            27   11  13 1
            28   16  22 1
            29   18  23 1


entry: C08759
name: --- - Eurycomalactone
formula: C19H24O6
kcf:
ATOM        25
            1   C1y C     0.0034    0.1276
            2   C1z C     0.7069   -0.2862
            3   C1z C    -0.7103   -0.2793
            4   C1y C     0.0069    0.9448
            5   C1y C     1.4172    0.1138
            6   C5x C     0.7069   -1.1069
            7   C1a C     0.7000    0.5379
            8   C1y C    -0.7138   -1.1000
            9   C1y C    -1.4172    0.1276
            10  C1a C    -0.7172    0.5414
            11  C1y C     0.7207    1.3517
            12  O1a O    -0.7000    1.3621
            13  C1y C     1.4241    0.9345
            14  C7x C     2.0000    0.7034
            15  C1x C    -0.0069   -1.5138
            16  O5x O     1.4172   -1.5207
            17  C2y C    -1.4172   -1.5138
            18  C5x C    -2.1310   -0.2793
            19  O1a O    -1.4172    0.9517
            20  O7x O     1.5103    1.5655
            21  C1a C     2.2172    1.1517
            22  O7x O     2.7897    0.4931
            23  C2x C    -2.1310   -1.1000
            24  C1a C    -1.4172   -2.3345
            25  O5x O    -2.8448    0.1310
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 1 #Up
            12    5  13 1
            13    5  14 1 #Down
            14    6  15 1
            15    6  16 2
            16    8  17 1
            17    9  18 1
            18    9  19 1 #Up
            19   11  20 1 #Down
            20   13  21 1 #Down
            21   14  22 2
            22   17  23 2
            23   17  24 1
            24   18  25 2
            25    8  15 1
            26   11  13 1
            27   14  20 1
            28   18  23 1


entry: C08760
name: --- - Glaucarubin
formula: C25H36O10
kcf:
ATOM        35
            1   C1z C    -0.3172   -0.2276
            2   C1y C    -1.0379    0.1966
            3   C1y C     0.4172    0.1862
            4   C1y C    -0.3207   -1.0655
            5   C1x C    -0.0759    0.4172
            6   C1z C    -1.7690   -0.2207
            7   C1z C    -1.0310    1.0379
            8   C1y C     1.1414   -0.2379
            9   C1y C     0.4241    1.0241
            10  C1x C    -1.0448   -1.4897
            11  O7x O     0.4069   -1.4966
            12  O2x O    -0.5034    0.9655
            13  C1y C    -1.7724   -1.0621
            14  C1y C    -2.4931    0.2000
            15  C1a C    -1.7759    0.6207
            16  C1y C    -0.3034    1.4517
            17  O1a O    -1.7655    1.4586
            18  C7x C     1.1345   -1.0828
            19  O7a O     1.8690    0.1897
            20  C1a C     1.1552    1.4414
            21  C2y C    -2.4931   -1.4862
            22  C1y C    -3.2276   -0.2207
            23  O1a O    -2.4931    1.0414
            24  O1a O    -0.2966    2.2931
            25  O7x O     1.8621   -1.5103
            26  C7a C     2.5966   -0.2241
            27  C2x C    -3.2276   -1.0621
            28  C1a C    -2.4931   -2.3276
            29  O1a O    -3.9586    0.2000
            30  C1d C     3.3241    0.2000
            31  O7a O     2.6034   -1.0655
            32  C1b C     4.0517   -0.2103
            33  C1a C     3.7379    0.9310
            34  O1a O     2.8966    0.9310
            35  C1a C     4.7759    0.2138
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Down
            20   13  21 1
            21   14  22 1
            22   14  23 1 #Up
            23   16  24 1 #Down
            24   18  25 2
            25   19  26 1
            26   21  27 2
            27   21  28 1
            28   22  29 1 #Down
            29   26  30 1
            30   26  31 2
            31   30  32 1
            32   30  33 1 #Down
            33   30  34 1 #Up
            34   32  35 1
            35    7  12 1 #Up
            36    9  16 1
            37   10  13 1
            38   11  18 1
            39   22  27 1


entry: C08761
name: --- - 6-Methoxy-alpha-pyrufuran
formula: C16H16O6
kcf:
ATOM        22
            1   C8y C     0.1897    0.6276
            2   C8y C     0.1828   -0.1793
            3   C8y C    -1.2000    0.6310
            4   C8y C     0.8897    1.0207
            5   C8y C     0.8759   -0.5862
            6   O2x O    -0.5069   -0.5828
            7   C8y C    -1.2034   -0.1759
            8   C8x C    -1.8931    1.0310
            9   C8y C     1.5862    0.6172
            10  O2a O     0.8966    1.8241
            11  C8y C     1.5793   -0.1931
            12  O2a O     0.8690   -1.3897
            13  C8y C    -1.8931   -0.5759
            14  C8x C    -2.5931    0.6310
            15  O1a O     2.2828    1.0103
            16  C1a C     0.2034    2.2345
            17  O2a O     2.2690   -0.6000
            18  C1a C     1.5655   -1.8000
            19  C8x C    -2.5931   -0.1759
            20  O2a O    -1.8897   -1.3793
            21  C1a C     2.9690   -0.2000
            22  C1a C    -2.5862   -1.7862
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 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   10  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 2
            19   13  20 1
            20   17  21 1
            21   20  22 1
            22    6   7 1
            23    9  11 1
            24   14  19 1


entry: C08762
name: --- - 6-O-Methyleuparin
formula: C14H14O3
kcf:
ATOM        17
            1   C8y C     0.3793    0.3172
            2   C8y C     0.3759   -0.5103
            3   C8x C    -0.3310    0.7310
            4   C8x C     1.1690    0.5690
            5   C8x C    -0.3310   -0.9207
            6   O2x O     1.1621   -0.7690
            7   C8y C    -1.0483    0.3172
            8   C8y C     1.6517   -0.1000
            9   C8y C    -1.0483   -0.5069
            10  C5a C    -1.7621    0.7310
            11  C2c C     2.4759   -0.1034
            12  O2a O    -1.7621   -0.9207
            13  C1a C    -1.7621    1.5552
            14  O5a O    -2.4759    0.3207
            15  C1a C     2.8862   -0.8207
            16  C2a C     2.8931    0.6103
            17  C1a C    -2.4759   -0.5069
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 2
            7     4   8 2
            8     5   9 2
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 2
            14   11  15 1
            15   11  16 2
            16   12  17 1
            17    6   8 1
            18    7   9 1


entry: C08763
name: --- - Glaucarubinone
formula: C25H34O10
kcf:
ATOM        35
            1   C1z C    -0.3172   -0.2276
            2   C1y C    -1.0414    0.1966
            3   C1y C     0.4138    0.1862
            4   C1y C    -0.3207   -1.0655
            5   C1x C    -0.0345    0.3724
            6   C1z C    -1.7724   -0.2207
            7   C1z C    -1.0345    1.0379
            8   C1y C     1.1379   -0.2379
            9   C1y C     0.4207    1.0241
            10  C1x C    -1.0483   -1.4897
            11  O7x O     0.4034   -1.4966
            12  O2x O    -0.4621    1.0138
            13  C1y C    -1.7759   -1.0621
            14  C1y C    -2.4966    0.2000
            15  C1a C    -1.7793    0.6207
            16  C1y C    -0.3034    1.4517
            17  O1a O    -1.7621    1.4621
            18  C7x C     1.1310   -1.0828
            19  O7a O     1.8655    0.1862
            20  C1a C     1.1517    1.4414
            21  C2y C    -2.4966   -1.4862
            22  C5x C    -3.2310   -0.2207
            23  O1a O    -2.4966    1.0414
            24  O1a O    -0.2966    2.2931
            25  O7x O     1.8586   -1.5103
            26  C7a C     2.5931   -0.2241
            27  C2x C    -3.2310   -1.0621
            28  C1a C    -2.4966   -2.3276
            29  O5x O    -3.9586    0.2000
            30  C1d C     3.3207    0.2000
            31  O7a O     2.6034   -1.0655
            32  C1b C     4.0483   -0.2138
            33  C1a C     3.7379    0.9310
            34  O1a O     2.8931    0.9310
            35  C1a C     4.7724    0.2138
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Down
            20   13  21 1
            21   14  22 1
            22   14  23 1 #Up
            23   16  24 1 #Down
            24   18  25 2
            25   19  26 1
            26   21  27 2
            27   21  28 1
            28   22  29 2
            29   26  30 1
            30   26  31 2
            31   30  32 1
            32   30  33 1 #Down
            33   30  34 1 #Up
            34   32  35 1
            35    7  12 1 #Up
            36    9  16 1
            37   10  13 1
            38   11  18 1
            39   22  27 1


entry: C08764
name: --- - Glaucarubolone
formula: C20H26O8
kcf:
ATOM        28
            1   C1z C     0.5448   -0.2069
            2   C1y C    -0.1828    0.2207
            3   C1y C     1.2793    0.2103
            4   C1y C     0.5379   -1.0483
            5   C1x C     0.6966    0.4414
            6   C1z C    -0.9172   -0.1966
            7   C1z C    -0.1759    1.0655
            8   C1y C     1.2862    1.0552
            9   C1y C     2.0103   -0.2172
            10  C1x C    -0.1897   -1.4690
            11  O7x O     1.2690   -1.4759
            12  O2x O     0.4448    1.0828
            13  C1y C    -0.9241   -1.0448
            14  C1y C    -1.6483    0.2241
            15  C1a C    -0.9276    0.6517
            16  C1y C     0.5552    1.4828
            17  O1a O    -0.9103    1.4931
            18  C1a C     2.0207    1.4724
            19  C7x C     2.0035   -1.0621
            20  O1a O     2.7483    0.2000
            21  C2y C    -1.6483   -1.4655
            22  C5x C    -2.3828   -0.1966
            23  O1a O    -1.6483    1.0724
            24  O1a O     0.5621    2.3310
            25  O7x O     2.7345   -1.4897
            26  C2x C    -2.3828   -1.0448
            27  C1a C    -1.6448   -2.3138
            28  O5x O    -3.1172    0.2241
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    8  18 1 #Down
            18    9  19 1
            19    9  20 1 #Up
            20   13  21 1
            21   14  22 1
            22   14  23 1 #Up
            23   16  24 1 #Down
            24   19  25 2
            25   21  26 2
            26   21  27 1
            27   22  28 2
            28    7  12 1 #Up
            29    8  16 1
            30   10  13 1
            31   11  19 1
            32   22  26 1


entry: C08765
name: --- - Glycinoeclepin A
formula: C25H36O6
kcf:
ATOM        31
            1   C1z C    -2.0138   -0.5517
            2   C1b C    -1.2931   -0.9655
            3   O2x O    -2.6103    0.0414
            4   C1x C    -2.7345   -0.9759
            5   C1x C    -2.0172    0.2862
            6   C2y C    -0.5828   -0.5586
            7   C1y C    -3.4690    0.2759
            8   C1z C    -3.4655   -0.5586
            9   C1x C    -2.7448    0.7034
            10  C2y C     0.1310   -0.9655
            11  C1x C    -0.5828    0.2655
            12  C1a C    -4.1862   -0.9862
            13  C1a C    -4.1897   -0.1345
            14  C2y C     0.8414   -0.5552
            15  C6a C     0.1276   -1.7862
            16  C1y C     0.1310    0.6724
            17  C1z C     0.8414    0.2655
            18  C2x C     1.6207   -0.8069
            19  O6a O     0.8379   -2.1931
            20  O6a O    -0.5862   -2.1931
            21  O1a O     0.1310    1.4931
            22  C1z C     1.6207    0.5207
            23  C1a C     0.8345    1.0828
            24  C1x C     2.1000   -0.1414
            25  C1c C     2.3310    0.9310
            26  C1a C     1.6172    1.3448
            27  C1b C     3.0379    0.5241
            28  C1a C     2.3276    1.7552
            29  C6a C     3.7483    0.9310
            30  O6a O     4.4586    0.5241
            31  O6a O     3.7414    1.7552
BOND        34
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     7   3 1 #Up
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    6  11 1
            11    8  12 1
            12    8  13 1
            13   10  14 1
            14   10  15 1
            15   11  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   15  20 2
            20   16  21 1 #Up
            21   17  22 1
            22   17  23 1 #Down
            23   18  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   25  27 1
            27   25  28 1 #Down
            28   27  29 1
            29   29  30 1
            30   29  31 2
            31    7   8 1
            32    7   9 1
            33   16  17 1
            34   22  24 1


entry: C08766
name: --- - Harrisonin
formula: C27H32O10
kcf:
ATOM        37
            1   C1z C     0.9172    0.2517
            2   C1z C     0.2069   -0.1586
            3   C1z C     0.9207    1.0793
            4   C1y C     1.6241   -0.1621
            5   O2x O     0.9103   -0.5655
            6   C1z C     0.0379   -0.9655
            7   C1y C    -0.5034    0.2517
            8   C1a C     0.2000    0.6655
            9   C1y C     1.6379    1.4897
            10  C1x C     0.2069    1.4931
            11  C1a C     0.9138    1.9035
            12  C7x C     2.3448    0.2448
            13  C1z C    -0.7828   -1.0517
            14  O2x O     0.3724   -1.7172
            15  O1a O     0.8448   -1.1793
            16  C1z C    -1.1172   -0.2966
            17  C1x C    -0.5069    1.0793
            18  C8y C     1.6345    2.3138
            19  O7x O     2.3483    1.0724
            20  O7x O     3.0552   -0.1621
            21  C5x C    -0.9517   -1.8552
            22  O1a O    -1.6207   -1.0483
            23  C1z C    -0.2379   -2.2690
            24  C2b C    -1.8310    0.1138
            25  C1a C    -1.1241    0.5241
            26  C8x C     1.0207    2.8621
            27  C8x C     2.3414    2.7276
            28  O5x O    -1.7172   -2.2034
            29  C1a C     0.1759   -2.9862
            30  C1a C    -0.6621   -2.9862
            31  C2b C    -2.5448   -0.3000
            32  C8x C     1.3448    3.6138
            33  O2x O     2.1690    3.5310
            34  C7a C    -2.5483   -1.1276
            35  O7a O    -3.2655   -1.5310
            36  O7a O    -1.8379   -1.5379
            37  C1a C    -3.9828   -1.1241
BOND        42
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    3  11 1 #Down
            11    4  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    9  18 1 #Down
            18    9  19 1
            19   12  20 2
            20   13  21 1
            21   13  22 1 #Up
            22   14  23 1
            23   16  24 1
            24   16  25 1 #Up
            25   18  26 1
            26   18  27 2
            27   21  28 2
            28   23  29 1
            29   23  30 1
            30   24  31 2
            31   26  32 2
            32   27  33 1
            33   31  34 1
            34   34  35 1
            35   34  36 2
            36   35  37 1
            37    4   5 1 #Up
            38   10  17 1
            39   12  19 1
            40   13  16 1
            41   21  23 1
            42   32  33 1


entry: C08767
name: --- - 12alpha-Hydroxyamoorstatin
formula: C28H36O10
kcf:
ATOM        38
            1   C1z C     1.4172   -0.0034
            2   C1z C     0.7241   -0.3897
            3   C1y C     2.1759   -0.2379
            4   C1z C     1.4103    0.8000
            5   O2x O     1.5966   -0.7793
            6   C1y C     0.0310    0.0172
            7   C1y C     0.7241   -1.1862
            8   C1a C     0.7138    0.4138
            9   C1x C     2.6379    0.4069
            10  C1y C     2.1690    1.0517
            11  C1y C     0.7379    1.2069
            12  C1a C     1.4517    1.6035
            13  C1z C    -0.6621   -0.3828
            14  C5x C     0.0379    0.8103
            15  C1x C     0.0241   -1.5759
            16  O1a O     1.4069   -1.5793
            17  C8y C     2.4207    1.8345
            18  O1a O     0.7310    2.0069
            19  C1y C    -0.6655   -1.1793
            20  C1y C    -1.3483    0.0207
            21  C1x C    -0.6724    0.2552
            22  O5x O    -0.6517    1.2172
            23  C8x C     1.9345    2.4966
            24  C8x C     3.2034    2.0897
            25  C1z C    -1.3483   -1.5724
            26  C1x C    -2.0414   -0.3828
            27  O1a O    -1.3586    0.8172
            28  O2x O    -1.6035   -0.7207
            29  C8x C     2.4172    3.1621
            30  O2x O     3.2000    2.9138
            31  C1y C    -2.0414   -1.1793
            32  C1y C    -1.6035   -2.2517
            33  C1a C    -1.1379   -2.3621
            34  O7a O    -2.7345   -1.5690
            35  O1a O    -2.3586   -2.6586
            36  C7a C    -3.4138   -1.1759
            37  C1a C    -4.1103   -1.5621
            38  O7a O    -3.4103   -0.3793
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16   10  17 1 #Down
            17   11  18 1 #Down
            18   13  19 1
            19   13  20 1
            20   13  21 1 #Up
            21   14  22 2
            22   17  23 1
            23   17  24 2
            24   19  25 1
            25   20  26 1
            26   20  27 1 #Down
            27   21  28 1
            28   23  29 2
            29   24  30 1
            30   25  31 1
            31   25  32 1 #Up
            32   25  33 1 #Down
            33   31  34 1 #Down
            34   32  35 1
            35   34  36 1
            36   36  37 1
            37   36  38 2
            38    3   5 1 #Up
            39    9  10 1
            40   11  14 1
            41   15  19 1
            42   26  31 1
            43   28  32 1
            44   29  30 1


entry: C08768
name: --- - Ichangin
formula: C26H32O9
kcf:
ATOM        35
            1   C1z C     0.9276   -0.2517
            2   C1z C     0.2069   -0.6724
            3   C1y C     1.6552   -0.6690
            4   C1z C     0.9276    0.5862
            5   O2x O     0.9241   -1.0655
            6   C1y C    -0.5138   -0.2621
            7   C5x C     0.2069   -1.5000
            8   C1a C     0.2034    0.1483
            9   C7x C     2.3793   -0.2552
            10  C1y C     1.6483    1.0035
            11  C1x C     0.1966    0.9897
            12  C1a C     0.9241    1.4069
            13  C1z C    -1.2241   -0.6724
            14  C1x C    -0.5241    0.5690
            15  C1x C    -0.5138   -1.9207
            16  O5x O     0.9138   -1.9103
            17  O7x O     2.3759    0.5897
            18  O7x O     3.0897   -0.6655
            19  C8y C     1.6448    1.8276
            20  C1y C    -1.2241   -1.5000
            21  C1y C    -2.0138   -0.4241
            22  C1x C    -0.6138   -0.1034
            23  C8x C     0.9759    2.3069
            24  C8x C     2.3069    2.3138
            25  C1d C    -1.9414   -1.9138
            26  C1x C    -2.1966    0.3862
            27  O1a O    -2.6172   -0.9862
            28  O7x O    -0.8000    0.7069
            29  C8x C     1.2310    3.0862
            30  O2x O     2.0448    3.0897
            31  C1a C    -1.9448   -2.7448
            32  C1a C    -2.5379   -2.4966
            33  O1a O    -2.7483   -1.6897
            34  C7x C    -1.5966    0.9448
            35  O7x O    -1.7793    1.7448
BOND        40
            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     4  10 1
            10    4  11 1
            11    4  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    9  17 1
            17    9  18 2
            18   10  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   13  22 1 #Up
            22   19  23 1
            23   19  24 2
            24   20  25 1 #Up
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 1
            28   23  29 2
            29   24  30 1
            30   25  31 1
            31   25  32 1
            32   25  33 1
            33   26  34 1
            34   34  35 2
            35    3   5 1 #Up
            36   10  17 1
            37   11  14 1
            38   15  20 1
            39   28  34 1
            40   29  30 1


entry: C08769
name: --- - Isobrucein A
formula: C26H34O11
kcf:
ATOM        37
            1   C1z C    -0.3931   -0.2759
            2   C1y C     0.3414    0.1379
            3   C1y C    -1.1138    0.1483
            4   C1y C    -0.3966   -1.1138
            5   C1x C    -0.6207    0.4103
            6   C1z C     0.3448    0.9759
            7   C1y C     1.0655   -0.2862
            8   C1z C    -1.8483   -0.2690
            9   C1y C    -1.1069    0.9897
            10  C1x C    -1.1207   -1.5379
            11  O7x O     0.3276   -1.5448
            12  O2x O    -0.2793    0.9655
            13  C1y C    -0.3793    1.4034
            14  C7a C     1.0690    1.3966
            15  C7x C     1.0586   -1.1310
            16  O7a O     1.8000    0.1276
            17  C1y C    -1.8517   -1.1103
            18  C1y C    -2.5724    0.1517
            19  C1a C    -1.8552    0.5724
            20  O1a O    -1.8414    1.4103
            21  O1a O    -0.3828    2.2483
            22  O7a O     1.8000    0.9759
            23  O7a O     1.0690    2.2414
            24  O7x O     1.7862   -1.5586
            25  C7a C     2.5207   -0.2897
            26  C2y C    -2.5724   -1.5345
            27  C5x C    -3.3034   -0.2690
            28  O1a O    -2.5793    0.9931
            29  C1a C     2.5276    1.3966
            30  C1b C     3.2483    0.1310
            31  O7a O     2.5207   -1.1345
            32  C2x C    -3.3034   -1.1103
            33  C1a C    -2.5690   -2.3759
            34  O5x O    -4.0310    0.1517
            35  C1c C     3.9759   -0.2897
            36  C1a C     4.7034    0.1310
            37  C1a C     3.9759   -1.1345
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 1
            27   18  28 1 #Up
            28   22  29 1
            29   25  30 1
            30   25  31 2
            31   26  32 2
            32   26  33 1
            33   27  34 2
            34   30  35 1
            35   35  36 1
            36   35  37 1
            37    6  12 1 #Up
            38    9  13 1
            39   10  17 1
            40   11  15 1
            41   27  32 1


entry: C08770
name: --- - Isobrucein B
formula: C23H28O11
kcf:
ATOM        34
            1   C1z C    -0.0103   -0.3172
            2   C1y C     0.7138    0.0931
            3   C1y C    -0.7241    0.1034
            4   C1y C    -0.0138   -1.1448
            5   C1x C    -0.4345    0.4138
            6   C1z C     0.7207    0.9241
            7   C1y C     1.4345   -0.3276
            8   C1z C    -1.4483   -0.3103
            9   C1y C    -0.7172    0.9345
            10  C1x C    -0.7310   -1.5621
            11  O7x O     0.7034   -1.5690
            12  O2x O    -0.1138    0.9276
            13  C1y C     0.0034    1.3448
            14  C7a C     1.4414    1.3414
            15  C7x C     1.4276   -1.1586
            16  O7a O     2.1552    0.0966
            17  C1y C    -1.4517   -1.1414
            18  C1y C    -2.1690    0.1069
            19  C1a C    -1.4552    0.5241
            20  O1a O    -1.4414    1.3552
            21  O1a O     0.0103    2.1793
            22  O7a O     2.1621    0.9276
            23  O7a O     1.4379    2.1759
            24  O7x O     2.1483   -1.5828
            25  C7a C     2.8759   -0.3103
            26  C2y C    -2.1690   -1.5586
            27  C5x C    -2.8931   -0.3103
            28  O1a O    -2.1655    0.9414
            29  C1a C     2.8793    1.3483
            30  C1a C     3.5897    0.1138
            31  O7a O     2.8828   -1.1414
            32  C2x C    -2.8931   -1.1414
            33  C1a C    -2.1655   -2.3931
            34  O5x O    -3.6103    0.1069
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 1
            27   18  28 1 #Up
            28   22  29 1
            29   25  30 1
            30   25  31 2
            31   26  32 2
            32   26  33 1
            33   27  34 2
            34    6  12 1 #Up
            35    9  13 1
            36   10  17 1
            37   11  15 1
            38   27  32 1


entry: C08771
name: --- - Neoquassin
formula: C22H30O6
kcf:
ATOM        28
            1   C1z C     0.7379   -0.2517
            2   C1y C     0.0276    0.1655
            3   C1y C     0.7345   -1.0793
            4   C1y C     1.4586    0.1517
            5   C1a C     0.7310    0.5793
            6   C1z C    -0.6897   -0.2448
            7   C5x C     0.0345    0.9931
            8   C1x C     0.0207   -1.4931
            9   O2x O     1.4483   -1.5000
            10  C2y C     1.4655    0.9793
            11  C1x C     2.1759   -0.2621
            12  C1y C    -0.6931   -1.0724
            13  C5x C    -1.4069    0.1690
            14  C1a C    -0.7000    0.5862
            15  C2y C     0.7517    1.4000
            16  O5x O    -0.6793    1.4138
            17  C1y C     2.1690   -1.0897
            18  C1a C     2.1862    1.3897
            19  C1y C    -1.4069   -1.4897
            20  C2y C    -2.1276   -0.2448
            21  O5x O    -1.4069    0.9966
            22  O2a O     0.7586    2.2310
            23  O1a O     2.8828   -1.5138
            24  C2x C    -2.1276   -1.0724
            25  C1a C    -1.4069   -2.3207
            26  O2a O    -2.8448    0.1690
            27  C1a C     1.4724    2.6517
            28  C1a C    -3.5690   -0.2379
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     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    7  16 2
            16    9  17 1
            17   10  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 2
            21   15  22 1
            22   17  23 1
            23   19  24 1
            24   19  25 1 #Down
            25   20  26 1
            26   22  27 1
            27   26  28 1
            28    8  12 1
            29   10  15 2
            30   11  17 1
            31   20  24 2


entry: C08772
name: --- - Nigakihemiacetal A
formula: C22H34O7
kcf:
ATOM        29
            1   C1y C    -0.0448    0.1241
            2   C1z C     0.6655   -0.2931
            3   C1z C    -0.7655   -0.2828
            4   C1y C    -0.0379    0.9517
            5   C1y C     1.3862    0.1138
            6   C1y C     0.6621   -1.1172
            7   C1a C     0.6552    0.5414
            8   C1y C    -0.7690   -1.1138
            9   C5x C    -1.4828    0.1276
            10  C1a C    -0.7724    0.5448
            11  C1y C     0.6793    1.3621
            12  O1a O    -0.7517    1.3759
            13  C1z C     1.3897    0.9414
            14  C1x C     2.1000   -0.3034
            15  C1x C    -0.0517   -1.5345
            16  O2x O     1.3724   -1.5379
            17  C1y C    -1.4828   -1.5310
            18  C2y C    -2.2000   -0.2828
            19  O5x O    -1.4897    0.9586
            20  O2a O     0.6862    2.1897
            21  C1a C     1.9759    1.5310
            22  O1a O     2.2207    0.9414
            23  C1y C     2.0931   -1.1310
            24  C2x C    -2.2000   -1.1138
            25  C1a C    -1.4897   -2.3586
            26  O2a O    -2.9207    0.1276
            27  C1a C     1.4069    2.5966
            28  O1a O     2.8103   -1.5517
            29  C1a C    -3.6448   -0.2759
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 1 #Down
            12    5  13 1
            13    5  14 1
            14    6  15 1
            15    6  16 1
            16    8  17 1
            17    9  18 1
            18    9  19 2
            19   11  20 1 #Up
            20   13  21 1 #Down
            21   13  22 1 #Up
            22   14  23 1
            23   17  24 1
            24   17  25 1 #Down
            25   18  26 1
            26   20  27 1
            27   23  28 1
            28   26  29 1
            29    8  15 1
            30   11  13 1
            31   16  23 1
            32   18  24 2


entry: C08773
name: --- - Nomilin
formula: C28H34O9
kcf:
ATOM        37
            1   C1z C     1.1690   -0.2552
            2   C1z C     0.4552   -0.6724
            3   C1z C     1.1759    0.5655
            4   C1y C     1.8724   -0.6793
            5   O2x O     1.1517   -1.0828
            6   C1y C    -0.2621   -0.2517
            7   C5x C     0.4552   -1.5000
            8   C1a C     0.4483    0.1586
            9   C1y C     1.8897    0.9690
            10  C1x C     0.4621    0.9828
            11  C1a C     1.1724    1.3966
            12  C7x C     2.5897   -0.2724
            13  C1z C    -0.9793   -0.6724
            14  C1x C    -0.2552    0.5759
            15  C1x C    -0.2621   -1.9103
            16  O5x O     1.1759   -1.9103
            17  C8y C     1.9000    1.7931
            18  O7x O     2.6000    0.5517
            19  O7x O     3.3034   -0.6966
            20  C1y C    -0.9828   -1.5000
            21  C1y C    -1.6345   -0.1552
            22  C1a C    -0.9862    0.1586
            23  C8x C     1.2862    2.3448
            24  C8x C     2.6138    2.2138
            25  C1z C    -1.6310   -2.0172
            26  C1x C    -2.4448   -0.3414
            27  O7a O    -1.6379    0.6759
            28  C8x C     1.6172    3.1000
            29  O2x O     2.4379    3.0207
            30  O7x O    -2.4414   -1.8379
            31  C1a C    -1.2172   -2.7310
            32  C1a C    -2.0483   -2.7310
            33  C7x C    -2.7966   -1.0897
            34  C7a C    -2.0517    1.3931
            35  O7x O    -3.6276   -1.0931
            36  C1a C    -1.6448    2.1103
            37  O7a O    -2.8828    1.3897
BOND        42
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    3  11 1 #Down
            11    4  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    9  17 1 #Down
            17    9  18 1
            18   12  19 2
            19   13  20 1
            20   13  21 1
            21   13  22 1 #Up
            22   17  23 1
            23   17  24 2
            24   20  25 1
            25   21  26 1
            26   21  27 1 #Down
            27   23  28 2
            28   24  29 1
            29   25  30 1
            30   25  31 1
            31   25  32 1
            32   26  33 1
            33   27  34 1
            34   33  35 2
            35   34  36 1
            36   34  37 2
            37    4   5 1 #Up
            38   10  14 1
            39   12  18 1
            40   15  20 1
            41   28  29 1
            42   30  33 1


entry: C08774
name: --- - (Z)-2-Decene-4,6,8-triynoic acid methylester
formula: C11H8O2
kcf:
ATOM        13
            1   C2b C    -2.1379    0.1379
            2   C2b C    -1.7138   -0.5966
            3   C7a C    -1.7586    0.8345
            4   C3b C    -0.8690   -0.6000
            5   O7a O    -2.1655    1.5069
            6   O7a O    -0.9655    0.8483
            7   C3b C    -0.0207   -0.6000
            8   C1a C    -2.9586    1.4966
            9   C3b C     0.8276   -0.6000
            10  C3b C     1.6724   -0.6034
            11  C3b C     2.5207   -0.6069
            12  C3b C     3.3655   -0.6069
            13  C1a C     4.2138   -0.6103
BOND        12
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 3
            7     5   8 1
            8     7   9 1
            9     9  10 3
            10   10  11 1
            11   11  12 3
            12   12  13 1


entry: C08775
name: --- - Obacunone
formula: C26H30O7
kcf:
ATOM        33
            1   C1z C     0.9172   -0.1103
            2   C1z C     0.1966   -0.5276
            3   C1y C     1.6310   -0.5345
            4   C1z C     0.9276    0.7138
            5   O2x O     0.9000   -0.9414
            6   C1y C    -0.5172   -0.1069
            7   C5x C     0.2000   -1.3586
            8   C1a C     0.1931    0.3069
            9   C7x C     2.3517   -0.1276
            10  C1y C     1.6483    1.1207
            11  C1x C     0.2069    1.1345
            12  C1a C     0.9207    1.5517
            13  C1z C    -1.2414   -0.5241
            14  C1x C    -0.5103    0.7241
            15  C1x C    -0.5172   -1.7759
            16  O5x O     0.9241   -1.7724
            17  O7x O     2.3586    0.7000
            18  O7x O     3.0655   -0.5517
            19  C8y C     1.6586    1.9517
            20  C1y C    -1.2414   -1.3586
            21  C2x C    -1.8379    0.0724
            22  C1a C    -1.2448    0.3069
            23  C8x C     1.0345    2.5069
            24  C8x C     2.3759    2.3690
            25  C1z C    -1.9655   -1.7690
            26  C2x C    -2.5862   -0.1448
            27  C8x C     1.3690    3.2621
            28  O2x O     2.1966    3.1828
            29  O7x O    -2.6759   -1.6621
            30  C1a C    -2.3862   -2.4931
            31  C1a C    -1.5552   -2.4931
            32  C7x C    -2.9828   -0.8241
            33  O7x O    -3.8172   -0.8241
BOND        38
            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     4  10 1
            10    4  11 1
            11    4  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    9  17 1
            17    9  18 2
            18   10  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   13  22 1 #Up
            22   19  23 1
            23   19  24 2
            24   20  25 1
            25   21  26 2
            26   23  27 2
            27   24  28 1
            28   25  29 1
            29   25  30 1
            30   25  31 1
            31   26  32 1
            32   32  33 2
            33    3   5 1 #Up
            34   10  17 1
            35   11  14 1
            36   15  20 1
            37   27  28 1
            38   29  32 1


entry: C08776
name: --- - Picrasin C
formula: C23H34O7
kcf:
ATOM        30
            1   C1z C     0.6897   -0.5138
            2   C1y C    -0.0241   -0.0931
            3   C1y C     1.4103   -0.1034
            4   C1y C     0.6862   -1.3379
            5   C1a C     0.6828    0.3207
            6   C1z C    -0.7448   -0.5069
            7   C1y C    -0.0172    0.7345
            8   C1y C     1.4172    0.7241
            9   C1x C     2.1276   -0.5241
            10  C1x C    -0.0310   -1.7517
            11  O7x O     1.4000   -1.7552
            12  C1y C    -0.7483   -1.3345
            13  C5x C    -1.4586   -0.0897
            14  C1a C    -0.7517    0.3241
            15  C1y C     0.7034    1.1414
            16  O7a O    -0.0207    1.5655
            17  C1a C     2.1379    1.1310
            18  C7x C     2.1207   -1.3517
            19  C1y C    -1.4586   -1.7483
            20  C1y C    -2.1759   -0.5069
            21  O5x O    -1.4586    0.7414
            22  O2a O     0.7103    1.9690
            23  C7a C    -0.7379    1.9793
            24  O7x O     2.8345   -1.7690
            25  C1x C    -2.1759   -1.3345
            26  C1a C    -1.4586   -2.5759
            27  O1a O    -2.8931   -0.0897
            28  C1a C     1.4310    2.3793
            29  C1a C    -1.4552    1.5655
            30  O7a O    -0.7379    2.8069
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    7  16 1 #Down
            16    8  17 1 #Down
            17    9  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 2
            21   15  22 1 #Up
            22   16  23 1
            23   18  24 2
            24   19  25 1
            25   19  26 1 #Down
            26   20  27 1 #Down
            27   22  28 1
            28   23  29 1
            29   23  30 2
            30    8  15 1
            31   10  12 1
            32   11  18 1
            33   20  25 1


entry: C08777
name: --- - Quassimarin
formula: C26H34O11
kcf:
ATOM        37
            1   C1z C    -0.5759   -0.3345
            2   C1y C     0.1586    0.0793
            3   C1y C    -1.2966    0.0897
            4   C1y C    -0.5793   -1.1724
            5   C1x C    -0.6655    0.3586
            6   C1z C     0.1655    0.9172
            7   C1y C     0.8828   -0.3448
            8   C1z C    -2.0276   -0.3276
            9   C1y C    -1.2897    0.9310
            10  C1x C    -1.3035   -1.5966
            11  O7x O     0.1483   -1.6035
            12  O2x O    -0.4103    0.9138
            13  C1y C    -0.5621    1.3448
            14  C1a C     0.8897    1.3448
            15  C7x C     0.8759   -1.1897
            16  O7a O     1.6172    0.0690
            17  C1y C    -2.0310   -1.1690
            18  C1y C    -2.7517    0.0931
            19  C1a C    -2.0379    0.5138
            20  O1a O    -2.0172    1.3552
            21  O1a O    -0.5655    2.1897
            22  O7x O     1.6035   -1.6172
            23  C7a C     2.3379   -0.3448
            24  C2y C    -2.7517   -1.5931
            25  C5x C    -3.4862   -0.3276
            26  O1a O    -2.7517    0.9345
            27  C1c C     3.0690    0.0759
            28  O7a O     2.3345   -1.1897
            29  C2x C    -3.4862   -1.1690
            30  C1a C    -2.7517   -2.4345
            31  O5x O    -4.2138    0.0931
            32  O7a O     3.0621    0.9172
            33  C1b C     3.7931   -0.3414
            34  C7a C     3.7897    1.3379
            35  C1a C     4.5207    0.0828
            36  C1a C     4.5172    0.9241
            37  O7a O     3.7862    2.1828
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   15  22 2
            22   16  23 1
            23   17  24 1
            24   18  25 1
            25   18  26 1 #Up
            26   23  27 1
            27   23  28 2
            28   24  29 2
            29   24  30 1
            30   25  31 2
            31   27  32 1 #Down
            32   27  33 1
            33   32  34 1
            34   33  35 1
            35   34  36 1
            36   34  37 2
            37    6  12 1 #Up
            38    9  13 1
            39   10  17 1
            40   11  15 1
            41   25  29 1


entry: C08778
name: --- - Quassin
formula: C22H28O6
kcf:
ATOM        28
            1   C1z C     0.7414   -0.2517
            2   C1y C     0.0276    0.1655
            3   C1y C     0.7379   -1.0759
            4   C1y C     1.4586    0.1517
            5   C1a C     0.7345    0.5793
            6   C1z C    -0.6931   -0.2448
            7   C5x C     0.0345    0.9931
            8   C1x C     0.0207   -1.4931
            9   O7x O     1.4483   -1.5000
            10  C2y C     1.4655    0.9793
            11  C1x C     2.1759   -0.2621
            12  C1y C    -0.6966   -1.0724
            13  C5x C    -1.4069    0.1690
            14  C1a C    -0.7000    0.5862
            15  C2y C     0.7552    1.4034
            16  O5x O    -0.6793    1.4138
            17  C7x C     2.1655   -1.0897
            18  C1a C     2.1862    1.3897
            19  C1y C    -1.4069   -1.4897
            20  C2y C    -2.1276   -0.2448
            21  O5x O    -1.4069    0.9966
            22  O2a O     0.7621    2.2310
            23  O7x O     2.8828   -1.5138
            24  C2x C    -2.1276   -1.0724
            25  C1a C    -1.4069   -2.3207
            26  O2a O    -2.8483    0.1690
            27  C1a C     1.4724    2.6517
            28  C1a C    -3.5655   -0.2448
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     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    7  16 2
            16    9  17 1
            17   10  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 2
            21   15  22 1
            22   17  23 2
            23   19  24 1
            24   19  25 1 #Down
            25   20  26 1
            26   22  27 1
            27   26  28 1
            28    8  12 1
            29   10  15 2
            30   11  17 1
            31   20  24 2


entry: C08779
name: --- - Rutaevin
formula: C26H30O9
kcf:
ATOM        35
            1   C1z C     0.8517   -0.2310
            2   C1z C     0.1379   -0.6448
            3   C1z C     0.8621    0.5931
            4   C1y C     1.5621   -0.6517
            5   O2x O     0.8448   -1.0552
            6   C1y C    -0.5759   -0.2276
            7   C1y C     0.1414   -1.4724
            8   C1a C     0.1345    0.1862
            9   C1y C     1.5793    0.9966
            10  C1x C     0.1483    1.0103
            11  C1a C     0.8586    1.4241
            12  C7x C     2.2759   -0.2448
            13  C1z C    -1.2966   -0.6379
            14  C1x C    -0.5690    0.6034
            15  C5x C    -0.5759   -1.8828
            16  O1a O     0.8586   -1.8828
            17  C8y C     1.5759    1.8207
            18  O7x O     2.2862    0.5793
            19  O7x O     2.9931   -0.6690
            20  C1y C    -1.2552   -1.4655
            21  C1y C    -2.0966   -0.4241
            22  C1x C    -0.7138   -0.0483
            23  O5x O    -0.5724   -2.7138
            24  C8x C     0.9586    2.3724
            25  C8x C     2.2897    2.2414
            26  C1z C    -2.0310   -1.7621
            27  O2x O    -2.5517   -1.1172
            28  C1x C    -2.3241    0.3759
            29  O7x O    -0.9310    0.7552
            30  C8x C     1.2931    3.1276
            31  O2x O     2.1138    3.0448
            32  C1a C    -1.8241   -2.5586
            33  C1a C    -2.7552   -2.1724
            34  C7x C    -1.7345    0.9655
            35  O7x O    -1.9517    1.7690
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    3  11 1 #Down
            11    4  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    9  17 1 #Down
            17    9  18 1
            18   12  19 2
            19   13  20 1
            20   13  21 1
            21   13  22 1 #Up
            22   15  23 2
            23   17  24 1
            24   17  25 2
            25   20  26 1
            26   21  27 1
            27   21  28 1
            28   22  29 1
            29   24  30 2
            30   25  31 1
            31   26  32 1
            32   26  33 1
            33   28  34 1
            34   34  35 2
            35    4   5 1 #Up
            36   10  14 1
            37   12  18 1
            38   15  20 1
            39   26  27 1
            40   29  34 1
            41   30  31 1


entry: C08780
name: --- - Salannin
formula: C34H44O9
kcf:
ATOM        43
            1   C1z C     0.8897   -0.4586
            2   C1y C     0.1759   -0.0448
            3   C1y C     0.8862   -1.2724
            4   C2y C     1.6690   -0.2138
            5   C1a C     0.8759    0.3621
            6   C1z C    -0.5345   -0.4517
            7   C1b C     0.1690    0.7724
            8   C1y C     0.1724   -1.6759
            9   O2x O     1.6621   -1.5276
            10  C1y C     2.1414   -0.8690
            11  C2y C     2.1448    0.4448
            12  C1y C    -0.5345   -1.2724
            13  C1y C    -1.2345   -0.0414
            14  C1a C    -0.5414    0.3690
            15  C7a C     0.8724    1.1862
            16  O2x O    -0.0517   -2.4793
            17  C1x C     2.9172   -0.6207
            18  C1y C     2.9172    0.1931
            19  C1a C     2.1379    1.2793
            20  C1z C    -1.2379   -1.6759
            21  C1x C    -1.9483   -0.4517
            22  O7a O    -1.2448    0.7724
            23  O7a O     0.8655    2.0207
            24  O7a O     1.5931    0.7724
            25  C1x C    -1.0276   -2.4793
            26  C8y C     3.3310    0.9172
            27  C1y C    -1.9483   -1.2724
            28  C1a C    -1.9517   -2.0793
            29  C7a C    -1.9517    1.1828
            30  C1a C     1.5793    2.4448
            31  C8x C     3.0724    1.7069
            32  C8x C     4.1586    0.9172
            33  O7a O    -2.6586   -1.6759
            34  C2c C    -2.6586    0.7724
            35  O7a O    -1.9517    2.0000
            36  C8x C     3.7448    2.1966
            37  O2x O     4.4103    1.7069
            38  C7a C    -3.3655   -1.2655
            39  C2b C    -3.3655    1.1828
            40  C1a C    -2.6621   -0.0414
            41  C1a C    -4.0724   -1.6690
            42  O7a O    -3.3655   -0.4483
            43  C1a C    -4.0724    0.7724
BOND        48
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1 #Down
            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    6  14 1 #Up
            14    7  15 1
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   11  19 1
            19   12  20 1
            20   13  21 1
            21   13  22 1 #Down
            22   15  23 1
            23   15  24 2
            24   16  25 1
            25   18  26 1 #Down
            26   20  27 1
            27   20  28 1 #Up
            28   22  29 1
            29   23  30 1
            30   26  31 1
            31   26  32 2
            32   27  33 1 #Down
            33   29  34 1
            34   29  35 2
            35   31  36 2
            36   32  37 1
            37   33  38 1
            38   34  39 2
            39   34  40 1
            40   38  41 1
            41   38  42 2
            42   39  43 1
            43    8  12 1
            44    9  10 1
            45   17  18 1
            46   20  25 1
            47   21  27 1
            48   36  37 1


entry: C08781
name: --- - Samaderin A
formula: C18H18O6
kcf:
ATOM        24
            1   C1z C     0.5172   -0.3690
            2   C1y C    -0.2069    0.0552
            3   C1y C     1.2448    0.0448
            4   C1x C     0.2966    0.3138
            5   C5x C     0.5207   -1.2069
            6   C1z C    -0.9310   -0.3621
            7   C1y C    -0.2034    0.8931
            8   C1z C     1.2517    0.8862
            9   C7x C     1.8414    0.6552
            10  O2x O     0.6379    0.8241
            11  C2x C    -0.2069   -1.6310
            12  O5x O     1.2483   -1.6276
            13  C2y C    -0.9379   -1.2069
            14  C5x C    -1.7345   -0.0966
            15  C1a C    -0.9448    0.4793
            16  C1y C     0.5276    1.3103
            17  O1a O    -0.9276    1.3207
            18  C1a C     1.9759    1.3138
            19  O7x O     1.3379    1.5345
            20  O7x O     2.6828    0.6552
            21  C2y C    -1.7448   -1.4621
            22  C2x C    -2.2345   -0.7759
            23  O5x O    -1.9897    0.7103
            24  C1a C    -2.0138   -2.2655
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1 #Up
            17    8  18 1
            18    9  19 1
            19    9  20 2
            20   13  21 1
            21   14  22 1
            22   14  23 2
            23   21  24 1
            24    8  10 1 #Up
            25    8  16 1
            26   11  13 2
            27   16  19 1 #Down
            28   21  22 2


entry: C08782
name: --- - Sergeolide
formula: C25H28O11
kcf:
ATOM        36
            1   C1z C     0.2793   -0.2000
            2   C1y C     0.9966    0.2034
            3   C1y C    -0.4276    0.2172
            4   C1y C     0.2759   -1.0207
            5   C1x C     0.0552    0.4724
            6   C1z C     1.0035    1.0276
            7   C1y C     1.7103   -0.2138
            8   C1z C    -1.1448   -0.1931
            9   C1y C    -0.4207    1.0379
            10  C1x C    -0.4345   -1.4345
            11  O7x O     0.9862   -1.4414
            12  O2x O     0.3069    1.0207
            13  C1y C     0.2931    1.4448
            14  C7a C     1.7138    1.4414
            15  C7x C     1.7035   -1.0345
            16  O7a O     2.4241    0.1931
            17  C1y C    -1.1483   -1.0172
            18  C2x C    -1.8552    0.2207
            19  C1a C    -1.1517    0.6310
            20  O1a O    -1.1379    1.4517
            21  O1a O     0.3000    2.2690
            22  O7a O     2.4276    1.0276
            23  O7a O     1.7103    2.2655
            24  O7x O     2.4103   -1.4483
            25  C7a C     3.1310   -0.2207
            26  C1y C    -1.8552   -1.4310
            27  C2y C    -2.5724   -0.1897
            28  C1a C     3.1379    1.4448
            29  C1a C     3.8483    0.1828
            30  O7a O     3.1276   -1.0483
            31  C2y C    -2.5724   -1.0172
            32  C1a C    -1.8552   -2.2552
            33  O7x O    -3.3586    0.0655
            34  C2x C    -3.3586   -1.2724
            35  C7x C    -3.8448   -0.6034
            36  O7x O    -4.6690   -0.6034
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 2
            27   22  28 1
            28   25  29 1
            29   25  30 2
            30   26  31 1
            31   26  32 1 #Down
            32   27  33 1
            33   31  34 2
            34   33  35 1
            35   35  36 2
            36    6  12 1 #Up
            37    9  13 1
            38   10  17 1
            39   11  15 1
            40   27  31 1
            41   34  35 1


entry: C08783
name: --- - Simalikilactone D
formula: C25H34O9
kcf:
ATOM        34
            1   C1z C    -0.2103   -0.2069
            2   C1y C     0.5207    0.2069
            3   C1y C    -0.9310    0.2172
            4   C1y C    -0.2138   -1.0448
            5   C1x C    -0.4793    0.4828
            6   C1z C     0.5276    1.0448
            7   C1y C     1.2483   -0.2172
            8   C1z C    -1.6655   -0.2000
            9   C1y C    -0.9241    1.0586
            10  C1x C    -0.9379   -1.4690
            11  O7x O     0.5103   -1.4759
            12  O2x O    -0.1379    1.0379
            13  C1y C    -0.1966    1.4724
            14  C1a C     1.2586    1.4621
            15  C7x C     1.2414   -1.0621
            16  O7a O     1.9724    0.2103
            17  C1y C    -1.6690   -1.0414
            18  C1y C    -2.3897    0.2207
            19  C1a C    -1.6724    0.6414
            20  O1a O    -1.6586    1.4793
            21  O1a O    -0.1897    2.3138
            22  O7x O     1.9655   -1.4897
            23  C7a C     2.7034   -0.2034
            24  C2y C    -2.3897   -1.4655
            25  C5x C    -3.1241   -0.2000
            26  O1a O    -2.3897    1.0621
            27  C1c C     3.4276    0.2207
            28  O7a O     2.7103   -1.0448
            29  C2x C    -3.1241   -1.0414
            30  C1a C    -2.3862   -2.3069
            31  O5x O    -3.8483    0.2207
            32  C1b C     4.1552   -0.1897
            33  C1a C     3.4207    1.0621
            34  C1a C     4.8828    0.2345
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   15  22 2
            22   16  23 1
            23   17  24 1
            24   18  25 1
            25   18  26 1 #Up
            26   23  27 1
            27   23  28 2
            28   24  29 2
            29   24  30 1
            30   25  31 2
            31   27  32 1
            32   27  33 1 #Down
            33   32  34 1
            34    6  12 1 #Up
            35    9  13 1
            36   10  17 1
            37   11  15 1
            38   25  29 1


entry: C08784
name: --- - Soularubinone
formula: C25H34O10
kcf:
ATOM        35
            1   C1z C    -0.3793   -0.1241
            2   C1y C    -1.1000    0.3000
            3   C1y C     0.3517    0.2897
            4   C1y C    -0.3828   -0.9621
            5   C1x C    -0.1828    0.5207
            6   C1z C    -1.8345   -0.1172
            7   C1z C    -1.0931    1.1379
            8   C1y C     1.0793   -0.1379
            9   C1y C     0.3586    1.1276
            10  C1x C    -1.1069   -1.3862
            11  O7x O     0.3414   -1.3931
            12  O2x O    -0.4379    1.1586
            13  C1y C    -1.8379   -0.9586
            14  C1y C    -2.5586    0.3034
            15  C1a C    -1.8414    0.7241
            16  C1y C    -0.3655    1.5517
            17  O1a O    -1.8310    1.5621
            18  C7x C     1.0690   -0.9793
            19  O7a O     1.8035    0.2897
            20  C1a C     1.0897    1.5414
            21  C2y C    -2.5586   -1.3862
            22  C5x C    -3.2931   -0.1172
            23  O1a O    -2.5586    1.1448
            24  O1a O    -0.3586    2.3931
            25  O7x O     1.7966   -1.4069
            26  C7a C     2.5276   -0.1310
            27  C2x C    -3.2931   -0.9586
            28  C1a C    -2.5586   -2.2276
            29  O5x O    -4.0172    0.3034
            30  C1b C     3.2586    0.2897
            31  O7a O     2.5241   -0.9759
            32  C1d C     3.9828   -0.1310
            33  C1a C     4.7138    0.2897
            34  C1a C     3.9793   -0.9759
            35  O1a O     4.7138   -0.5517
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Down
            20   13  21 1
            21   14  22 1
            22   14  23 1 #Up
            23   16  24 1 #Down
            24   18  25 2
            25   19  26 1
            26   21  27 2
            27   21  28 1
            28   22  29 2
            29   26  30 1
            30   26  31 2
            31   30  32 1
            32   32  33 1
            33   32  34 1
            34   32  35 1
            35    7  12 1 #Up
            36    9  16 1
            37   10  13 1
            38   11  18 1
            39   22  27 1


entry: C08785
name: --- - Toonacilin
formula: C31H38O9
kcf:
ATOM        40
            1   C1z C     0.9793   -0.2345
            2   C1z C     0.9828    0.6000
            3   C1y C     1.7724   -0.4897
            4   C2y C     0.2517   -0.6483
            5   O2x O     1.1966   -1.0414
            6   C1y C     0.2517    1.0276
            7   C1y C     1.7759    0.8621
            8   C1a C     0.9724    1.4414
            9   C1x C     2.2655    0.1897
            10  C1y C    -0.4690   -0.2345
            11  C2a C     0.2517   -1.4828
            12  C1y C    -0.4690    0.6034
            13  O7a O     0.2552    1.8690
            14  C8y C     2.2069    1.5655
            15  C1z C    -1.1966   -0.6448
            16  O7a O    -1.1931    1.0276
            17  C7a C     0.9793    2.2759
            18  C8x C     1.8828    2.3448
            19  C8x C     3.0414    1.6517
            20  C1y C    -1.1931   -1.4828
            21  C2x C    -1.9276   -0.2310
            22  C1a C    -1.2000    0.1966
            23  C7a C    -1.1931    1.8621
            24  C1a C     0.9828    3.1103
            25  O7a O     1.6172    1.9035
            26  C8x C     2.5138    2.8897
            27  O2x O     3.2276    2.4586
            28  C1z C    -1.9241   -1.9069
            29  C1b C    -0.4690   -1.9035
            30  C2x C    -2.6517   -0.6448
            31  C1a C    -1.9138    2.2759
            32  O7a O    -0.4690    2.2724
            33  C5x C    -2.6517   -1.4828
            34  C1a C    -2.2655   -2.5448
            35  C1a C    -1.6793   -2.5448
            36  C7a C    -0.4690   -2.7345
            37  O5x O    -3.3793   -1.9069
            38  O7a O     0.2483   -3.1448
            39  O7a O    -1.1897   -3.1483
            40  C1a C     0.2483   -3.9793
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 2
            11    6  12 1
            12    6  13 1 #Down
            13    7  14 1 #Down
            14   10  15 1
            15   12  16 1 #Down
            16   13  17 1
            17   14  18 1
            18   14  19 2
            19   15  20 1
            20   15  21 1
            21   15  22 1 #Up
            22   16  23 1
            23   17  24 1
            24   17  25 2
            25   18  26 2
            26   19  27 1
            27   20  28 1
            28   20  29 1 #Up
            29   21  30 2
            30   23  31 1
            31   23  32 2
            32   28  33 1
            33   28  34 1
            34   28  35 1
            35   29  36 1
            36   33  37 2
            37   36  38 1
            38   36  39 2
            39   38  40 1
            40    3   5 1 #Up
            41    7   9 1
            42   10  12 1
            43   26  27 1
            44   30  33 1


entry: C08786
name: --- - Trichilin A
formula: C35H46O13
kcf:
ATOM        48
            1   C1z C     2.0759    0.3724
            2   C1z C     1.4000   -0.0241
            3   C1z C     2.1000    1.1586
            4   C1y C     2.8103    0.1103
            5   O2x O     2.2207   -0.3966
            6   C1y C     0.7172    0.3724
            7   C1y C     1.4000   -0.8172
            8   C1a C     1.3931    0.7724
            9   C1y C     2.8448    1.3724
            10  C1y C     1.4138    1.5586
            11  C1a C     2.0931    1.9448
            12  C1x C     3.2897    0.7345
            13  C1z C     0.0345   -0.0138
            14  C5x C     0.7241    1.1690
            15  C1x C     0.7103   -1.2069
            16  O1a O     2.0897   -1.2138
            17  C8y C     3.1172    2.1414
            18  O1a O     1.4207    2.3483
            19  C1y C     0.0310   -0.8103
            20  C1y C    -0.6552    0.3759
            21  C1x C     0.0241    0.7759
            22  O5x O     0.0448    1.5690
            23  C8x C     2.6586    2.8207
            24  C8x C     3.9034    2.3793
            25  C1z C    -0.6552   -1.2034
            26  C1y C    -1.3448   -0.0138
            27  O1a O    -0.6586    1.1759
            28  O2x O    -0.9241   -0.3207
            29  C8x C     3.1552    3.4655
            30  O2x O     3.9241    3.1966
            31  C1y C    -1.3448   -0.8103
            32  C1y C    -0.9103   -1.9345
            33  C1a C    -0.4448   -1.9931
            34  O7a O    -2.0310    0.3759
            35  O7a O    -2.0310   -1.2069
            36  O7a O    -1.7448   -2.1414
            37  C7a C    -2.0379    1.1931
            38  C7a C    -2.7414   -0.7966
            39  C7a C    -2.1517   -2.8448
            40  C1a C    -2.7552    1.5931
            41  O7a O    -1.3379    1.6069
            42  C1a C    -3.4483   -1.2034
            43  O7a O    -2.7379    0.0207
            44  C1c C    -2.9655   -2.8448
            45  O7a O    -1.7448   -3.5552
            46  C1b C    -3.3759   -3.5552
            47  C1a C    -3.3724   -2.1379
            48  C1a C    -4.1862   -3.5552
BOND        54
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    3  11 1 #Down
            11    4  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16    9  17 1 #Down
            17   10  18 1 #Up
            18   13  19 1
            19   13  20 1
            20   13  21 1 #Up
            21   14  22 2
            22   17  23 1
            23   17  24 2
            24   19  25 1
            25   20  26 1
            26   20  27 1 #Down
            27   21  28 1
            28   23  29 2
            29   24  30 1
            30   25  31 1
            31   25  32 1 #Up
            32   25  33 1 #Down
            33   26  34 1 #Down
            34   31  35 1 #Down
            35   32  36 1
            36   34  37 1
            37   35  38 1
            38   36  39 1
            39   37  40 1
            40   37  41 2
            41   38  42 1
            42   38  43 2
            43   39  44 1
            44   39  45 2
            45   44  46 1
            46   44  47 1 #Up
            47   46  48 1
            48    4   5 1 #Up
            49    9  12 1
            50   10  14 1
            51   15  19 1
            52   26  31 1
            53   28  32 1
            54   29  30 1


entry: C08787
name: --- - Undulatone
formula: C27H34O11
kcf:
ATOM        38
            1   C1z C     0.1379    0.4483
            2   C1y C    -0.5897    0.8759
            3   C1y C     0.1310   -0.3897
            4   C1y C     0.8655    0.8621
            5   C1x C     0.4172    1.1414
            6   C1z C    -1.3172    0.4586
            7   C1z C    -0.5828    1.7138
            8   C1y C    -0.5966   -0.8069
            9   O7x O     0.8552   -0.8138
            10  C1y C     1.5931    0.4379
            11  C1y C     0.8724    1.7035
            12  O2x O    -0.0103    1.6483
            13  C1y C    -1.3207   -0.3828
            14  C1y C    -2.0483    0.8793
            15  C1a C    -1.3241    1.3000
            16  C1y C     0.1483    2.1276
            17  O1a O    -1.3517    2.0035
            18  O7a O    -0.6034   -1.6483
            19  C7x C     1.5862   -0.4000
            20  O7a O     2.3241    0.8517
            21  C1a C     1.6069    2.1172
            22  C2y C    -2.0483   -0.8069
            23  C5x C    -2.7759    0.4586
            24  O1a O    -2.0448    1.7207
            25  O1a O     0.1448    2.9793
            26  C7a C     0.1103   -2.0655
            27  O7x O     2.3103   -0.8276
            28  C7a C     3.0483    0.4310
            29  C2x C    -2.7759   -0.3828
            30  C1a C    -2.0448   -1.6483
            31  O5x O    -3.5069    0.8793
            32  C2c C     0.1034   -2.8931
            33  O7a O     0.8276   -1.6586
            34  C1a C     3.7793    0.8483
            35  O7a O     3.0448   -0.4103
            36  C2b C     0.8138   -3.3103
            37  C1a C    -0.6172   -3.3000
            38  C1a C     0.8069   -4.1345
BOND        42
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    8  18 1 #Down
            18    9  19 1
            19   10  20 1 #Up
            20   11  21 1 #Down
            21   13  22 1
            22   14  23 1
            23   14  24 1 #Up
            24   16  25 1 #Down
            25   18  26 1
            26   19  27 2
            27   20  28 1
            28   22  29 2
            29   22  30 1
            30   23  31 2
            31   26  32 1
            32   26  33 2
            33   28  34 1
            34   28  35 2
            35   32  36 2
            36   32  37 1
            37   36  38 1
            38    7  12 1 #Up
            39    8  13 1
            40   10  19 1
            41   11  16 1
            42   23  29 1


entry: C08788
name: --- - Zapoterin
formula: C26H30O8
kcf:
ATOM        34
            1   C1z C     0.9483   -0.1069
            2   C1z C     0.2310   -0.5241
            3   C1y C     1.6621   -0.5310
            4   C1z C     0.9586    0.7172
            5   O2x O     0.9414   -0.9379
            6   C1y C    -0.4862   -0.1034
            7   C5x C     0.2310   -1.3552
            8   C1a C     0.2241    0.3103
            9   C7x C     2.3828   -0.1241
            10  C1y C     1.6793    1.1241
            11  C1x C     0.2379    1.1379
            12  C1a C     0.9517    1.5552
            13  C1z C    -1.2103   -0.5207
            14  C1y C    -0.4793    0.7276
            15  C1x C    -0.4862   -1.7724
            16  O5x O     0.9552   -1.7690
            17  O7x O     2.3931    0.7034
            18  O7x O     3.0966   -0.5483
            19  C8y C     1.6897    1.9552
            20  C1y C    -1.2103   -1.3552
            21  C2x C    -1.9310   -0.1034
            22  C1a C    -1.2138    0.3103
            23  O1a O    -1.2000    1.1483
            24  C8x C     1.0724    2.5103
            25  C8x C     2.4069    2.3724
            26  C1z C    -1.7966   -1.9379
            27  C2x C    -2.6069   -0.2828
            28  C8x C     1.4000    3.2690
            29  O2x O     2.2276    3.1862
            30  O7x O    -2.6000   -1.7241
            31  C1a C    -2.2172   -2.6586
            32  C1a C    -1.3828   -2.6586
            33  C7x C    -3.0172   -1.0035
            34  O7x O    -3.8517   -1.0000
BOND        39
            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     4  10 1
            10    4  11 1
            11    4  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    9  17 1
            17    9  18 2
            18   10  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   13  22 1 #Up
            22   14  23 1 #Up
            23   19  24 1
            24   19  25 2
            25   20  26 1
            26   21  27 2
            27   24  28 2
            28   25  29 1
            29   26  30 1
            30   26  31 1
            31   26  32 1
            32   27  33 1
            33   33  34 2
            34    3   5 1 #Up
            35   10  17 1
            36   11  14 1
            37   15  20 1
            38   28  29 1
            39   30  33 1


entry: C08789
name: --- - Bryodulcosigenin
formula: C30H50O4
kcf:
ATOM        34
            1   C1y C    -0.4759   -0.8000
            2   C1z C     0.2241   -0.4000
            3   C1z C    -1.1759   -0.3931
            4   C1x C    -0.4759   -1.6138
            5   C1z C     0.2345    0.4069
            6   C1x C     1.6241   -0.4172
            7   C1a C     0.2172   -1.2103
            8   C1y C    -1.8793   -0.7931
            9   C5x C    -1.1690    0.4172
            10  C1a C    -1.1828   -1.2034
            11  C2x C    -1.1828   -2.0172
            12  C1y C     0.9414    0.8034
            13  C1x C    -0.4621    0.8207
            14  C1a C     0.2276    1.2172
            15  C1x C     1.6345    0.3897
            16  C2y C    -1.8828   -1.6069
            17  C1x C    -2.5828   -0.3897
            18  O5x O    -1.8690    0.8310
            19  C1c C     0.9379    1.6138
            20  C1z C    -2.5828   -2.0138
            21  C1x C    -3.2862   -0.7931
            22  C1b C     1.6345    2.0172
            23  C1a C     0.2276    2.0172
            24  C1y C    -3.2862   -1.6069
            25  C1a C    -2.1828   -2.7138
            26  C1a C    -2.9966   -2.7138
            27  C1b C     2.3379    1.6172
            28  O1a O    -3.9931   -2.0103
            29  C1c C     3.0379    2.0241
            30  C1d C     3.7379    1.6241
            31  O1a O     3.0345    2.8345
            32  C1a C     4.4414    2.0310
            33  C1a C     4.4414    1.2138
            34  O1a O     3.7345    0.8103
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    5  14 1 #Up
            14    6  15 1
            15    8  16 1
            16    8  17 1
            17    9  18 2
            18   12  19 1
            19   16  20 1
            20   17  21 1
            21   19  22 1
            22   19  23 1 #Down
            23   20  24 1
            24   20  25 1
            25   20  26 1
            26   22  27 1
            27   24  28 1 #Up
            28   27  29 1
            29   29  30 1
            30   29  31 1 #Either
            31   30  32 1
            32   30  33 1
            33   30  34 1
            34    9  13 1
            35   11  16 2
            36   12  15 1
            37   21  24 1


entry: C08790
name: --- - Carnosifloside I
formula: C42H68O13
kcf:
ATOM        55
            1   C1z C    -0.2565  -13.3234
            2   C1y C     0.4496  -13.7448
            3   C1y C    -0.9625  -13.7303
            4   C5x C    -0.2454  -12.5096
            5   C1a C    -0.2599  -14.1372
            6   C1z C     1.1590  -13.3379
            7   C1x C     0.4496  -14.5552
            8   C2y C    -0.9694  -14.5517
            9   C1x C    -1.6720  -13.3234
            10  C1x C     0.4565  -12.1061
            11  O5x O    -0.9514  -12.0986
            12  C1z C     1.1659  -12.5199
            13  C1x C     2.5600  -13.3559
            14  C1a C     1.1445  -14.1483
            15  C2x C    -0.2599  -14.9621
            16  C1z C    -1.6720  -14.9621
            17  C1x C    -2.3815  -13.7303
            18  C1y C     1.8762  -12.1241
            19  C1x C     2.5746  -12.5421
            20  C1y C    -2.3815  -14.5517
            21  C1a C    -1.2762  -15.6723
            22  C1a C    -2.0900  -15.6723
            23  C1c C     1.8762  -11.3027
            24  O1a O    -3.0910  -14.9621
            25  C1b C     2.5746  -10.8924
            26  C1a C     1.1625  -10.8924
            27  C1b C     3.2806  -11.2992
            28  C2b C     3.9977  -10.8924
            29  C2c C     4.6961  -11.2958
            30  C1b C     5.4022  -10.8848
            31  C1a C     4.6961  -12.1096
            32  O2a O     6.1151  -11.2883
            33  C1y C     6.8177  -10.8779
            34  O2x O     7.5237  -11.2848
            35  C1y C     6.8177  -10.0599
            36  C1y C     8.2332  -10.8779
            37  C1y C     7.5272   -9.6530
            38  O1a O     6.1116   -9.6496
            39  C1b C     8.9392  -11.2883
            40  C1y C     8.2332  -10.0599
            41  O1a O     7.5272   -8.8316
            42  O2a O     9.6564  -10.8814
            43  O1a O     8.9469   -9.6530
            44  C1y C    10.3658  -10.4599
            45  O2x O    11.0788  -10.8703
            46  C1y C    10.3693   -9.6385
            47  C1y C    11.7924  -10.4634
            48  C1y C    11.0788   -9.2281
            49  O1a O     9.6564   -9.2281
            50  C1y C    11.7958   -9.6385
            51  C1b C    12.5053  -10.8779
            52  O1a O    11.0788   -8.4033
            53  O1a O    12.5053   -9.2281
            54  O1a O    13.2182  -10.4634
            55  C1a C     1.1583  -11.6917
BOND        60
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 2
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15    8  16 1
            16    9  17 1
            17   12  18 1
            18   13  19 1
            19   16  20 1
            20   16  21 1
            21   16  22 1
            22   18  23 1
            23   20  24 1 #Up
            24   23  25 1
            25   23  26 1 #Down
            26   25  27 1
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   33  32 1 #Up
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   35  37 1
            37   35  38 1 #Down
            38   36  39 1 #Up
            39   36  40 1
            40   37  41 1 #Up
            41   39  42 1
            42   40  43 1 #Down
            43   44  42 1 #Up
            44   44  45 1
            45   44  46 1
            46   45  47 1
            47   46  48 1
            48   46  49 1 #Down
            49   47  50 1
            50   47  51 1 #Up
            51   48  52 1 #Up
            52   50  53 1 #Down
            53   51  54 1
            54    8  15 2
            55   10  12 1
            56   17  20 1
            57   18  19 1
            58   37  40 1
            59   48  50 1
            60   12  55 1 #Up


entry: C08791
name: --- - Carnosifloside III
formula: C48H78O18
kcf:
ATOM        66
            1   C1y C    -1.4793   -0.7345
            2   C1z C    -1.9138   -0.4828
            3   C1z C    -1.0379   -0.4828
            4   C1x C    -1.4793   -1.2414
            5   C1y C    -2.3552   -0.7310
            6   C5x C    -1.9103    0.0241
            7   C1a C    -1.9172   -0.9862
            8   C1z C    -1.0310    0.0172
            9   C1x C    -0.1690   -0.4966
            10  C1a C    -1.0414   -0.9897
            11  C2x C    -1.9172   -1.4966
            12  C2y C    -2.3552   -1.2379
            13  C1x C    -2.7897   -0.4793
            14  C1x C    -1.4690    0.2759
            15  O5x O    -2.3483    0.2828
            16  C1y C    -0.5966    0.2655
            17  C1a C    -1.0379    0.5241
            18  C1x C    -0.1621    0.0034
            19  C1z C    -2.7897   -1.4897
            20  C1x C    -3.2276   -0.7310
            21  C1c C    -0.5897    0.7724
            22  C1y C    -3.2276   -1.2379
            23  C1a C    -2.5379   -1.9310
            24  C1a C    -3.0448   -1.9310
            25  C1b C    -0.1517    1.0172
            26  C1a C    -1.0241    1.0276
            27  O2a O    -3.6655   -1.4897
            28  C1b C     0.2862    0.7621
            29  C1y C    -4.1034   -1.7448
            30  C2b C     0.7241    1.0035
            31  O2x O    -4.5448   -1.4931
            32  C1y C    -4.1034   -2.2517
            33  C2c C     1.1586    0.7483
            34  C1y C    -4.9828   -1.7483
            35  C1y C    -4.5448   -2.5035
            36  O1a O    -3.6655   -2.5035
            37  C1b C     1.5966    0.9931
            38  C1a C     1.1517    0.2448
            39  C1y C    -4.9828   -2.2552
            40  C1b C    -5.4207   -1.4966
            41  O1a O    -4.5414   -3.0138
            42  O2a O     2.0345    0.7345
            43  O1a O    -5.4207   -2.5103
            44  O1a O    -5.8586   -1.7483
            45  C1y C     2.4690    0.9897
            46  O2x O     2.9103    0.7414
            47  C1y C     2.4759    1.4931
            48  C1y C     3.3448    0.9897
            49  C1y C     2.9103    1.7483
            50  O1a O     2.0345    1.7517
            51  C1b C     3.7862    0.7345
            52  C1y C     3.3448    1.4931
            53  O1a O     2.9103    2.2552
            54  O2a O     4.2207    0.9966
            55  O1a O     3.7862    1.7483
            56  C1y C     4.6552    1.2483
            57  O2x O     5.0966    0.9966
            58  C1y C     4.6621    1.7552
            59  C1y C     5.5379    1.2517
            60  C1y C     5.1000    2.0103
            61  O1a O     4.2241    2.0103
            62  C1y C     5.5379    1.7586
            63  C1b C     5.9759    0.9966
            64  O1a O     5.1000    2.5172
            65  O1a O     5.9724    2.0069
            66  O1a O     6.4172    1.2483
BOND        72
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    6  15 2
            15    8  16 1
            16    8  17 1 #Up
            17    9  18 1
            18   12  19 1
            19   13  20 1
            20   16  21 1
            21   19  22 1
            22   19  23 1
            23   19  24 1
            24   21  25 1
            25   21  26 1 #Down
            26   22  27 1 #Up
            27   25  28 1
            28   29  27 1 #Up
            29   28  30 1
            30   29  31 1
            31   29  32 1
            32   30  33 2
            33   31  34 1
            34   32  35 1
            35   32  36 1 #Down
            36   33  37 1
            37   33  38 1
            38   34  39 1
            39   34  40 1 #Up
            40   35  41 1 #Up
            41   37  42 1
            42   39  43 1 #Down
            43   40  44 1
            44   45  42 1 #Up
            45   45  46 1
            46   45  47 1
            47   46  48 1
            48   47  49 1
            49   47  50 1 #Down
            50   48  51 1 #Up
            51   48  52 1
            52   49  53 1 #Up
            53   51  54 1
            54   52  55 1 #Down
            55   56  54 1 #Up
            56   56  57 1
            57   56  58 1
            58   57  59 1
            59   58  60 1
            60   58  61 1 #Down
            61   59  62 1
            62   59  63 1 #Up
            63   60  64 1 #Up
            64   62  65 1 #Down
            65   63  66 1
            66    8  14 1
            67   11  12 2
            68   16  18 1
            69   20  22 1
            70   35  39 1
            71   49  52 1
            72   60  62 1


entry: C08792
name: --- - Carnosifloside VI
formula: C48H80O18
kcf:
ATOM        66
            1   C1y C    -2.0223  -14.5511
            2   O2x O    -2.7298  -14.1449
            3   C1y C    -2.0200  -15.3750
            4   C1y C    -3.4394  -14.5548
            5   C1y C    -2.7308  -15.7803
            6   O1a O    -1.3089  -15.7834
            7   C1y C    -3.4382  -15.3740
            8   C1b C    -4.1430  -14.1420
            9   O1a O    -2.7285  -16.6041
            10  O1a O    -4.1441  -15.7774
            11  C1y C     2.2385  -12.9216
            12  C1z C     1.5326  -12.5060
            13  C1z C     2.9478  -12.5171
            14  C1x C     2.2385  -13.7374
            15  C1y C     0.8233  -12.9105
            16  C1y C     1.5402  -11.6936
            17  C1a C     1.5292  -13.3260
            18  C1z C     2.9589  -11.7089
            19  C1x C     4.3555  -12.5358
            20  C1a C     2.9402  -13.3294
            21  C2x C     1.5292  -14.1418
            22  C2y C     0.8198  -13.7263
            23  C1x C     0.1215  -12.5060
            24  C1x C     2.2496  -11.2858
            25  O1a O     0.8344  -11.2712
            26  C1y C     3.6682  -11.3044
            27  C1a C     2.9555  -10.8889
            28  C1x C     4.3665  -11.7234
            29  C1z C     0.1215  -14.1418
            30  C1x C    -0.5919  -12.9105
            31  C1c C     3.6793  -10.4845
            32  C1y C    -0.5919  -13.7263
            33  C1a C     0.5219  -14.8477
            34  C1a C    -0.2940  -14.8477
            35  C1b C     4.3852  -10.0732
            36  C1a C     2.9734  -10.0732
            37  O2a O    -1.3013  -14.1418
            38  C1b C     5.0870  -10.4734
            39  C2b C     5.7962  -10.0732
            40  C2c C     6.5022  -10.4699
            41  C1b C     7.2039  -10.0655
            42  C1a C     6.5056  -11.2858
            43  O2a O     7.9208  -10.4699
            44  C1y C     8.6267  -10.0586
            45  O2x O     9.3361  -10.4624
            46  C1y C     8.6302   -9.2387
            47  C1y C    10.0378  -10.0586
            48  C1y C     9.3361   -8.8232
            49  O1a O     7.9208   -8.8232
            50  C1b C    10.7471  -10.4624
            51  C1y C    10.0378   -9.2462
            52  O1a O     9.3361   -8.0073
            53  O2a O    11.4530  -10.0586
            54  O1a O    10.7471   -8.8232
            55  C1y C    12.1589   -9.6431
            56  O2x O    12.8607  -10.0510
            57  C1y C    12.1589   -8.8197
            58  C1y C    13.5699   -9.6431
            59  C1y C    12.8682   -8.4152
            60  O1a O    11.4454   -8.4117
            61  C1y C    13.5699   -8.8232
            62  C1b C    14.2835  -10.0510
            63  O1a O    12.8682   -7.5960
            64  O1a O    14.2870   -8.4152
            65  O1a O    14.9887   -9.6431
            66  O1a O    -4.8604  -14.5494
BOND        72
            1     3   5 1
            2     3   6 1 #Down
            3     4   7 1
            4     4   8 1 #Up
            5     5   9 1 #Up
            6     7  10 1 #Down
            7     5   7 1
            8     1   2 1
            9     1   3 1
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   12  15 1
            14   12  16 1
            15   12  17 1 #Up
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Down
            19   14  21 1
            20   15  22 1
            21   15  23 1
            22   16  24 1
            23   16  25 1 #Down
            24   18  26 1
            25   18  27 1 #Up
            26   19  28 1
            27   22  29 1
            28   23  30 1
            29   26  31 1
            30   29  32 1
            31   29  33 1
            32   29  34 1
            33   31  35 1
            34   31  36 1 #Down
            35   32  37 1 #Up
            36   35  38 1
            37   38  39 1
            38   39  40 2
            39   40  41 1
            40   40  42 1
            41   41  43 1
            42   44  43 1 #Up
            43   44  45 1
            44   44  46 1
            45   45  47 1
            46   46  48 1
            47   46  49 1 #Down
            48   47  50 1 #Up
            49   47  51 1
            50   48  52 1 #Up
            51   50  53 1
            52   51  54 1 #Down
            53   55  53 1 #Up
            54   55  56 1
            55   55  57 1
            56   56  58 1
            57   57  59 1
            58   57  60 1 #Down
            59   58  61 1
            60   58  62 1 #Up
            61   59  63 1 #Up
            62   61  64 1 #Down
            63   62  65 1
            64   18  24 1
            65   21  22 2
            66   26  28 1
            67   30  32 1
            68   48  51 1
            69   59  61 1
            70    1  37 1 #Up
            71    2   4 1
            72    8  66 1


entry: C08793
name: --- - Cucurbitacin A
formula: C32H46O9
kcf:
ATOM        41
            1   C1z C    -1.3483   -0.5034
            2   C1y C    -0.6517   -0.9103
            3   C1y C    -2.0552   -0.9000
            4   C5x C    -1.3414    0.3069
            5   C1b C    -2.0586   -0.0897
            6   C1z C     0.0517   -0.5103
            7   C1x C    -0.6517   -1.7207
            8   C2y C    -2.0586   -1.7138
            9   C1x C    -2.7552   -0.5000
            10  C1x C    -0.6379    0.7103
            11  O5x O    -1.3483    1.1241
            12  O1a O    -2.0655    0.7207
            13  C1z C     0.0586    0.2966
            14  C1x C     1.4483   -0.5276
            15  C1a C     0.0414   -1.3172
            16  C2x C    -1.3552   -2.1241
            17  C1z C    -2.7552   -2.1241
            18  C1y C    -3.4621   -0.9000
            19  C1y C     0.7655    0.6931
            20  C1a C     0.0552    1.1103
            21  C1y C     1.4586    0.2793
            22  C5x C    -3.4621   -1.7138
            23  C1a C    -3.1690   -2.8276
            24  C1a C    -2.3586   -2.8276
            25  O1a O    -4.1690   -0.5000
            26  C1d C     0.7586    1.5069
            27  O1a O     2.1621    0.6931
            28  O5x O    -4.1690   -2.1241
            29  C5a C     1.4552    1.9103
            30  C1a C     0.0552    1.9103
            31  O1a O     0.7552    2.3207
            32  C2b C     2.1621    1.5103
            33  O5a O     1.4552    2.7241
            34  C2b C     2.8621    1.9138
            35  C1d C     3.5655    1.5138
            36  O7a O     3.5621    0.7000
            37  C1a C     4.2690    1.9241
            38  C1a C     4.2690    1.1069
            39  C7a C     3.5586   -0.1138
            40  C1a C     4.2586   -0.5241
            41  O7a O     2.8483   -0.5172
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16    8  17 1
            17    9  18 1
            18   13  19 1
            19   13  20 1 #Up
            20   14  21 1
            21   17  22 1
            22   17  23 1
            23   17  24 1
            24   18  25 1 #Up
            25   19  26 1
            26   21  27 1 #Down
            27   22  28 2
            28   26  29 1
            29   26  30 1 #Down
            30   26  31 1 #Up
            31   29  32 1
            32   29  33 2
            33   32  34 2
            34   34  35 1
            35   35  36 1
            36   35  37 1
            37   35  38 1
            38   36  39 1
            39   39  40 1
            40   39  41 2
            41    8  16 2
            42   10  13 1
            43   18  22 1
            44   19  21 1


entry: C08794
name: --- - Cucurbitacin B
formula: C32H46O8
kcf:
ATOM        40
            1   C1z C    -0.0034   -0.4517
            2   C1z C     0.0069    0.3552
            3   C1y C    -0.7034   -0.8517
            4   C1x C     1.4000   -0.4690
            5   C1a C    -0.0103   -1.2586
            6   C1y C     0.7103    0.7517
            7   C1x C    -0.6897    0.7690
            8   C1a C     0.0034    1.1690
            9   C1z C    -1.4000   -0.4448
            10  C1x C    -0.7034   -1.6621
            11  C1y C     1.4069    0.3379
            12  C1d C     0.7069    1.5655
            13  C5x C    -1.3931    0.3655
            14  C1y C    -2.1069   -0.8414
            15  C1a C    -1.4069   -1.2517
            16  C2x C    -1.4069   -2.0655
            17  O1a O     2.1138    0.7517
            18  C5a C     1.4069    1.9690
            19  C1a C     0.0034    1.9690
            20  O1a O     0.7034    2.3793
            21  O5x O    -2.0931    0.7828
            22  C2y C    -2.1103   -1.6552
            23  C1x C    -2.8069   -0.4414
            24  C2b C     2.1138    1.5690
            25  O5a O     1.4069    2.7828
            26  C1z C    -2.8069   -2.0655
            27  C1y C    -3.5138   -0.8414
            28  C2b C     2.8103    1.9724
            29  C5x C    -3.5138   -1.6552
            30  C1a C    -3.2207   -2.7690
            31  C1a C    -2.4069   -2.7690
            32  O1a O    -4.2241   -0.4414
            33  C1d C     3.5138    1.5724
            34  O5x O    -4.2207   -2.0655
            35  O7a O     3.5103    0.7586
            36  C1a C     4.2138    1.9828
            37  C1a C     4.2138    1.1655
            38  C7a C     3.5069   -0.0517
            39  C1a C     4.2069   -0.4655
            40  O7a O     2.7966   -0.4586
BOND        43
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 1
            27   24  28 2
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1 #Up
            32   28  33 1
            33   29  34 2
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37   35  38 1
            38   38  39 1
            39   38  40 2
            40    6  11 1
            41    9  13 1
            42   16  22 2
            43   27  29 1


entry: C08795
name: --- - Cucurbitacin C
formula: C32H48O8
kcf:
ATOM        40
            1   C1z C    -1.4552   -0.5138
            2   C1y C    -0.7552   -0.9241
            3   C1y C    -2.1586   -0.9138
            4   C5x C    -1.4483    0.2966
            5   C1b C    -2.1621   -0.1034
            6   C1z C    -0.0552   -0.5241
            7   C1x C    -0.7552   -1.7345
            8   C2y C    -2.1621   -1.7276
            9   C1x C    -2.8621   -0.5103
            10  C1x C    -0.7414    0.6966
            11  O5x O    -1.4552    1.1103
            12  O1a O    -2.1655    0.7103
            13  C1z C    -0.0448    0.2862
            14  C1x C     1.3448   -0.5414
            15  C1a C    -0.0621   -1.3310
            16  C2x C    -1.4621   -2.1379
            17  C1z C    -2.8621   -2.1345
            18  C1x C    -3.5655   -0.9138
            19  C1y C     0.6621    0.6828
            20  C1a C    -0.0483    1.0966
            21  C1y C     1.3552    0.2690
            22  C1y C    -3.5655   -1.7276
            23  C1a C    -3.2759   -2.8345
            24  C1a C    -2.4621   -2.8345
            25  C1d C     0.6586    1.4931
            26  O1a O     2.0586    0.6793
            27  O1a O    -4.2724   -2.1310
            28  C5a C     1.3552    1.8966
            29  C1a C    -0.0483    1.8966
            30  O1a O     0.6552    2.3069
            31  C2b C     2.0586    1.4966
            32  O5a O     1.3517    2.7103
            33  C2b C     2.7586    1.9035
            34  C1d C     3.4586    1.5035
            35  O7a O     3.4552    0.6897
            36  C1a C     4.1621    1.9103
            37  C1a C     4.1621    1.0931
            38  C7a C     3.4552   -0.1241
            39  C1a C     4.1552   -0.5310
            40  O7a O     2.7483   -0.5310
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16    8  17 1
            17    9  18 1
            18   13  19 1
            19   13  20 1 #Up
            20   14  21 1
            21   17  22 1
            22   17  23 1
            23   17  24 1
            24   19  25 1
            25   21  26 1 #Down
            26   22  27 1 #Up
            27   25  28 1
            28   25  29 1 #Down
            29   25  30 1 #Up
            30   28  31 1
            31   28  32 2
            32   31  33 2
            33   33  34 1
            34   34  35 1
            35   34  36 1
            36   34  37 1
            37   35  38 1
            38   38  39 1
            39   38  40 2
            40    8  16 2
            41   10  13 1
            42   18  22 1
            43   19  21 1


entry: C08796
name: --- - Cucurbitacin D
formula: C30H44O7
kcf:
ATOM        37
            1   C1z C     0.2828   -0.4793
            2   C1z C     0.2931    0.3310
            3   C1y C    -0.4172   -0.8793
            4   C1x C     1.6828   -0.4966
            5   C1a C     0.2724   -1.2862
            6   C1y C     1.0000    0.7276
            7   C1x C    -0.4034    0.7414
            8   C1a C     0.2862    1.1414
            9   C1z C    -1.1207   -0.4690
            10  C1x C    -0.4172   -1.6897
            11  C1y C     1.6931    0.3138
            12  C1d C     0.9966    1.5379
            13  C5x C    -1.1138    0.3414
            14  C1y C    -1.8241   -0.8690
            15  C1a C    -1.1276   -1.2793
            16  C2x C    -1.1276   -2.0931
            17  O1a O     2.3966    0.7241
            18  C5a C     1.6897    1.9414
            19  C1a C     0.2862    1.9414
            20  O1a O     0.9897    2.3517
            21  O5x O    -1.8103    0.7552
            22  C2y C    -1.8276   -1.6828
            23  C1x C    -2.5276   -0.4655
            24  C2b C     2.3966    1.5414
            25  O5a O     1.6862    2.7552
            26  C1z C    -2.5276   -2.0897
            27  C1y C    -3.2310   -0.8690
            28  C2b C     3.0966    1.9483
            29  C5x C    -3.2310   -1.6828
            30  C1a C    -2.9379   -2.7897
            31  C1a C    -2.1276   -2.7897
            32  O1a O    -3.9345   -0.4655
            33  C1d C     3.7966    1.5483
            34  O5x O    -3.9310   -2.0897
            35  C1a C     4.5000    1.9552
            36  C1a C     4.5000    1.1379
            37  O1a O     3.7897    0.7345
BOND        40
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 1
            27   24  28 2
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1 #Up
            32   28  33 1
            33   29  34 2
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37    6  11 1
            38    9  13 1
            39   16  22 2
            40   27  29 1


entry: C08797
name: --- - Cucurbitacin E
formula: C32H44O8
kcf:
ATOM        40
            1   C1z C    -0.0034   -0.4517
            2   C1z C     0.0069    0.3552
            3   C1y C    -0.7034   -0.8517
            4   C1x C     1.3966   -0.4690
            5   C1a C    -0.0103   -1.2586
            6   C1y C     0.7103    0.7517
            7   C1x C    -0.6897    0.7690
            8   C1a C     0.0034    1.1690
            9   C1z C    -1.4000   -0.4448
            10  C1x C    -0.7034   -1.6621
            11  C1y C     1.4069    0.3379
            12  C1d C     0.7069    1.5655
            13  C5x C    -1.3931    0.3655
            14  C1y C    -2.1069   -0.8414
            15  C1a C    -1.4069   -1.2517
            16  C2x C    -1.4069   -2.0655
            17  O1a O     2.1138    0.7517
            18  C5a C     1.4069    1.9690
            19  C1a C     0.0034    1.9690
            20  O1a O     0.7034    2.3793
            21  O5x O    -2.0931    0.7828
            22  C2y C    -2.1103   -1.6552
            23  C2x C    -2.8069   -0.4414
            24  C2b C     2.1138    1.5690
            25  O5a O     1.4069    2.7828
            26  C1z C    -2.8069   -2.0655
            27  C2y C    -3.5138   -0.8414
            28  C2b C     2.8103    1.9724
            29  C5x C    -3.5138   -1.6552
            30  C1a C    -2.4103   -2.7690
            31  C1a C    -3.2207   -2.7690
            32  O1a O    -4.2207   -0.4414
            33  C1d C     3.5138    1.5724
            34  O5x O    -4.2207   -2.0655
            35  O7a O     3.5103    0.7586
            36  C1a C     4.2138    1.1655
            37  C1a C     4.2138    1.9828
            38  C7a C     3.5069   -0.0517
            39  C1a C     4.2069   -0.4655
            40  O7a O     2.7966   -0.4586
BOND        43
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 2
            27   24  28 2
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1
            32   28  33 1
            33   29  34 2
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37   35  38 1
            38   38  39 1
            39   38  40 2
            40    6  11 1
            41    9  13 1
            42   16  22 2
            43   27  29 1


entry: C08798
name: --- - Cucurbitacin F
formula: C30H46O7
kcf:
ATOM        37
            1   C1z C     0.2793   -0.4759
            2   C1z C     0.2897    0.3310
            3   C1y C    -0.4207   -0.8759
            4   C1x C     1.6793   -0.4931
            5   C1a C     0.2690   -1.2828
            6   C1y C     0.9966    0.7310
            7   C1x C    -0.4069    0.7448
            8   C1a C     0.2828    1.1448
            9   C1z C    -1.1241   -0.4655
            10  C1x C    -0.4207   -1.6862
            11  C1y C     1.6897    0.3138
            12  C1d C     1.0000    1.5414
            13  C5x C    -1.1172    0.3448
            14  C1y C    -1.8276   -0.8690
            15  C1a C    -1.1310   -1.2759
            16  C2x C    -1.1310   -2.0931
            17  O1a O     2.3897    0.7276
            18  C5a C     1.7000    1.9414
            19  C1a C     0.2897    1.9448
            20  O1a O     0.9966    2.3517
            21  O5x O    -1.8138    0.7586
            22  C2y C    -1.8310   -1.6793
            23  C1x C    -2.5276   -0.4621
            24  C2b C     2.4035    1.5379
            25  O5a O     1.7000    2.7517
            26  C1z C    -2.5276   -2.0897
            27  C1y C    -3.2345   -0.8690
            28  C2b C     3.1034    1.9379
            29  C1y C    -3.2345   -1.6793
            30  C1a C    -2.9414   -2.7897
            31  C1a C    -2.1310   -2.7897
            32  O1a O    -3.9379   -0.4621
            33  C1d C     3.8034    1.5310
            34  O1a O    -3.9379   -2.0828
            35  C1a C     4.5069    1.1241
            36  C1a C     4.5069    1.9414
            37  O1a O     3.8000    0.7207
BOND        40
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 1
            27   24  28 2
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1 #Up
            32   28  33 1
            33   29  34 1 #Down
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37    6  11 1
            38    9  13 1
            39   16  22 2
            40   27  29 1


entry: C08799
name: --- - Cucurbitacin H
formula: C30H46O8
kcf:
ATOM        38
            1   C1z C     0.1931   -0.5414
            2   C1z C     0.2034    0.2655
            3   C1y C    -0.5069   -0.9414
            4   C1x C     1.5931   -0.5586
            5   C1a C     0.1862   -1.3517
            6   C1y C     0.9103    0.6621
            7   C1x C    -0.4931    0.6793
            8   C1a C     0.2000    1.0793
            9   C1z C    -1.2069   -0.5345
            10  C1x C    -0.5069   -1.7517
            11  C1y C     1.6035    0.2483
            12  C1d C     0.9172    1.4724
            13  C5x C    -1.2000    0.2759
            14  C1y C    -1.9103   -0.9345
            15  C1a C    -1.2138   -1.3414
            16  C2x C    -1.2138   -2.1586
            17  O1a O     2.3862    0.4655
            18  C5a C     1.6172    1.8724
            19  C1a C     0.2069    1.8793
            20  O1a O     0.9103    2.2862
            21  O5x O    -1.9000    0.6897
            22  C2y C    -1.9138   -1.7483
            23  C1x C    -2.6103   -0.5310
            24  C1b C     2.3207    1.4690
            25  O5a O     1.6172    2.6862
            26  C1z C    -2.6103   -2.1552
            27  C1y C    -3.3172   -0.9345
            28  C1c C     3.0207    1.8690
            29  C5x C    -3.3172   -1.7483
            30  C1a C    -2.2138   -2.8552
            31  C1a C    -3.0276   -2.8552
            32  O1a O    -4.0207   -0.5310
            33  C1d C     3.7207    1.4655
            34  O1a O     3.0207    2.6828
            35  O5x O    -4.0207   -2.1552
            36  C1a C     4.4241    1.0586
            37  C1a C     4.4241    1.8724
            38  O1a O     3.7172    0.6517
BOND        41
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 1
            27   24  28 1
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1 #Up
            32   28  33 1
            33   28  34 1 #Either
            34   29  35 2
            35   33  36 1
            36   33  37 1
            37   33  38 1
            38    6  11 1
            39    9  13 1
            40   16  22 2
            41   27  29 1


entry: C08800
name: --- - Cucurbitacin I
formula: C30H42O7
kcf:
ATOM        37
            1   C1z C     0.2793   -0.4759
            2   C1z C     0.2897    0.3310
            3   C1y C    -0.4207   -0.8759
            4   C1x C     1.6793   -0.4931
            5   C1a C     0.2690   -1.2828
            6   C1y C     0.9966    0.7310
            7   C1x C    -0.4069    0.7448
            8   C1a C     0.2828    1.1448
            9   C1z C    -1.1241   -0.4655
            10  C1x C    -0.4207   -1.6862
            11  C1y C     1.6897    0.3138
            12  C1d C     1.0000    1.5414
            13  C5x C    -1.1172    0.3448
            14  C1y C    -1.8276   -0.8690
            15  C1a C    -1.1310   -1.2759
            16  C2x C    -1.1310   -2.0897
            17  O1a O     2.3897    0.7276
            18  C5a C     1.7000    1.9414
            19  C1a C     0.2897    1.9448
            20  O1a O     0.9966    2.3517
            21  O5x O    -1.8138    0.7586
            22  C2y C    -1.8310   -1.6793
            23  C2x C    -2.5276   -0.4621
            24  C2b C     2.4035    1.5379
            25  O5a O     1.7000    2.7517
            26  C1z C    -2.5276   -2.0897
            27  C2y C    -3.2345   -0.8690
            28  C2b C     3.1034    1.9379
            29  C5x C    -3.2345   -1.6793
            30  C1a C    -2.9414   -2.7897
            31  C1a C    -2.1310   -2.7897
            32  O1a O    -3.9345   -0.4621
            33  C1d C     3.8034    1.5310
            34  O5x O    -3.9345   -2.0897
            35  C1a C     4.5069    1.1241
            36  C1a C     4.5069    1.9414
            37  O1a O     3.8000    0.7207
BOND        40
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 2
            27   24  28 2
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1
            32   28  33 1
            33   29  34 2
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37    6  11 1
            38    9  13 1
            39   16  22 2
            40   27  29 1


entry: C08801
name: --- - Cucurbitacin J
formula: C30H44O8
kcf:
ATOM        38
            1   C1z C     0.2000   -0.5448
            2   C1z C     0.2069    0.2621
            3   C1y C    -0.5000   -0.9448
            4   C1x C     1.6000   -0.5621
            5   C1a C     0.1897   -1.3552
            6   C1y C     0.9172    0.6586
            7   C1x C    -0.4897    0.6759
            8   C1a C     0.2034    1.0759
            9   C1z C    -1.2034   -0.5379
            10  C1x C    -0.5034   -1.7552
            11  C1y C     1.6069    0.2448
            12  C1d C     0.9103    1.4724
            13  C5x C    -1.1966    0.2724
            14  C1y C    -1.9069   -0.9379
            15  C1a C    -1.2103   -1.3448
            16  C2x C    -1.2103   -2.1621
            17  O1a O     2.3897    0.4621
            18  C5a C     1.6069    1.8759
            19  C1a C     0.2034    1.8759
            20  O1a O     0.9069    2.2828
            21  O5x O    -1.8931    0.6897
            22  C2y C    -1.9103   -1.7517
            23  C2x C    -2.6103   -0.5345
            24  C1b C     2.3103    1.4759
            25  O5a O     1.6035    2.6862
            26  C1z C    -2.6103   -2.1586
            27  C2y C    -3.3138   -0.9379
            28  C1c C     3.0103    1.8793
            29  C5x C    -3.3138   -1.7517
            30  C1a C    -2.2103   -2.8586
            31  C1a C    -3.0207   -2.8586
            32  O1a O    -4.0138   -0.5345
            33  C1d C     3.7103    1.4793
            34  O1a O     3.0103    2.6931
            35  O5x O    -4.0138   -2.1586
            36  C1a C     4.4172    1.0724
            37  C1a C     4.4172    1.8862
            38  O1a O     3.7069    0.6655
BOND        41
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 2
            27   24  28 1
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1
            32   28  33 1
            33   28  34 1 #Either
            34   29  35 2
            35   33  36 1
            36   33  37 1
            37   33  38 1
            38    6  11 1
            39    9  13 1
            40   16  22 2
            41   27  29 1


entry: C08802
name: --- - Cucurbitacin L
formula: C30H44O7
kcf:
ATOM        37
            1   C1z C     0.2828   -0.4793
            2   C1z C     0.2931    0.3310
            3   C1y C    -0.4172   -0.8793
            4   C1x C     1.6828   -0.4966
            5   C1a C     0.2724   -1.2862
            6   C1y C     1.0000    0.7276
            7   C1x C    -0.4034    0.7414
            8   C1a C     0.2862    1.1414
            9   C1z C    -1.1207   -0.4690
            10  C1x C    -0.4172   -1.6897
            11  C1y C     1.6931    0.3138
            12  C1d C     0.9931    1.5379
            13  C5x C    -1.1138    0.3414
            14  C1y C    -1.8241   -0.8690
            15  C1a C    -1.1276   -1.2793
            16  C2x C    -1.1276   -2.0931
            17  O1a O     2.3931    0.7241
            18  C5a C     1.6897    1.9414
            19  C1a C     0.2862    1.9414
            20  O1a O     0.9897    2.3517
            21  O5x O    -1.8103    0.7552
            22  C2y C    -1.8276   -1.6828
            23  C2x C    -2.5276   -0.4655
            24  C1b C     2.3931    1.5414
            25  O5a O     1.6862    2.7552
            26  C1z C    -2.5276   -2.0897
            27  C2y C    -3.2310   -0.8690
            28  C1b C     3.0931    1.9483
            29  C5x C    -3.2310   -1.6828
            30  C1a C    -2.1276   -2.7897
            31  C1a C    -2.9379   -2.7897
            32  O1a O    -3.9310   -0.4655
            33  C1d C     3.7931    1.5483
            34  O5x O    -3.9310   -2.0897
            35  C1a C     4.5000    1.1379
            36  C1a C     4.5000    1.9552
            37  O1a O     3.7897    0.7345
BOND        40
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 2
            27   24  28 1
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1
            32   28  33 1
            33   29  34 2
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37    6  11 1
            38    9  13 1
            39   16  22 2
            40   27  29 1


entry: C08803
name: --- - Cucurbitacin O
formula: C30H46O7
kcf:
ATOM        37
            1   C1z C     0.2793   -0.4724
            2   C1z C     0.2897    0.3345
            3   C1y C    -0.4207   -0.8724
            4   C1x C     1.6793   -0.4897
            5   C1a C     0.2724   -1.2828
            6   C1y C     0.9966    0.7310
            7   C1x C    -0.4069    0.7483
            8   C1a C     0.2828    1.1483
            9   C1z C    -1.1207   -0.4621
            10  C1x C    -0.4207   -1.6828
            11  C1y C     1.6897    0.3172
            12  C1d C     0.9931    1.5448
            13  C5x C    -1.1138    0.3448
            14  C1y C    -1.8241   -0.8655
            15  C1a C    -1.1276   -1.2724
            16  C2x C    -1.1276   -2.0897
            17  O1a O     2.4724    0.5345
            18  C5a C     1.6897    1.9483
            19  C1a C     0.2828    1.9483
            20  O1a O     0.9897    2.3552
            21  O5x O    -1.8138    0.7621
            22  C2y C    -1.8276   -1.6759
            23  C1x C    -2.5276   -0.4621
            24  C2b C     2.3931    1.5483
            25  O5a O     1.6862    2.7586
            26  C1z C    -2.5276   -2.0862
            27  C1y C    -3.2310   -0.8655
            28  C2b C     3.0931    1.9517
            29  C1y C    -3.2310   -1.6759
            30  C1a C    -2.9414   -2.7862
            31  C1a C    -2.1276   -2.7862
            32  O1a O    -3.9345   -0.4621
            33  C1d C     3.7931    1.5517
            34  O1a O    -3.9345   -2.0862
            35  C1a C     4.4966    1.1448
            36  C1a C     4.4966    1.9586
            37  O1a O     3.7931    0.7448
BOND        40
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 1
            27   24  28 2
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1 #Down
            32   28  33 1
            33   29  34 1 #Down
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37    6  11 1
            38    9  13 1
            39   16  22 2
            40   27  29 1


entry: C08804
name: --- - Cucurbitacin P
formula: C30H48O7
kcf:
ATOM        37
            1   C1z C     0.2828   -0.4793
            2   C1z C     0.2931    0.3310
            3   C1y C    -0.4172   -0.8793
            4   C1x C     1.6828   -0.4966
            5   C1a C     0.2724   -1.2862
            6   C1y C     1.0000    0.7276
            7   C1x C    -0.4034    0.7414
            8   C1a C     0.2862    1.1414
            9   C1z C    -1.1207   -0.4690
            10  C1x C    -0.4172   -1.6897
            11  C1y C     1.6931    0.3138
            12  C1d C     0.9931    1.5379
            13  C5x C    -1.1138    0.3414
            14  C1y C    -1.8241   -0.8690
            15  C1a C    -1.1276   -1.2793
            16  C2x C    -1.1276   -2.0931
            17  O1a O     2.3931    0.7241
            18  C5a C     1.6897    1.9414
            19  C1a C     0.2862    1.9414
            20  O1a O     0.9897    2.3517
            21  O5x O    -1.8103    0.7552
            22  C2y C    -1.8276   -1.6828
            23  C1x C    -2.5276   -0.4655
            24  C1b C     2.3931    1.5414
            25  O5a O     1.6862    2.7552
            26  C1z C    -2.5276   -2.0897
            27  C1y C    -3.2310   -0.8690
            28  C1b C     3.0931    1.9483
            29  C1y C    -3.2310   -1.6828
            30  C1a C    -2.1276   -2.7897
            31  C1a C    -2.9379   -2.7897
            32  O1a O    -3.9310   -0.4655
            33  C1d C     3.7931    1.5483
            34  O1a O    -3.9310   -2.0897
            35  C1a C     4.5000    1.1379
            36  C1a C     4.5000    1.9552
            37  O1a O     3.7897    0.7345
BOND        40
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 1
            27   24  28 1
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1 #Down
            32   28  33 1
            33   29  34 1 #Down
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37    6  11 1
            38    9  13 1
            39   16  22 2
            40   27  29 1


entry: C08805
name: --- - Cucurbitacin Q
formula: C32H48O8
kcf:
ATOM        40
            1   C1z C     0.0000   -0.4517
            2   C1z C     0.0069    0.3586
            3   C1y C    -0.7069   -0.8586
            4   C1x C     1.4069   -0.4690
            5   C1a C    -0.0103   -1.2655
            6   C1y C     0.7138    0.7552
            7   C1x C    -0.6931    0.7724
            8   C1a C     0.0034    1.1759
            9   C1z C    -1.4069   -0.4448
            10  C1x C    -0.7069   -1.6724
            11  C1y C     1.4172    0.3414
            12  C1d C     0.7103    1.5724
            13  C5x C    -1.4000    0.3690
            14  C1y C    -2.1207   -0.8483
            15  C1a C    -1.4138   -1.2586
            16  C2x C    -1.4138   -2.0759
            17  O1a O     2.1207    0.7552
            18  C5a C     1.4138    1.9793
            19  C1a C     0.0034    1.9793
            20  O1a O     0.7069    2.3897
            21  O5x O    -2.1069    0.7862
            22  C2y C    -2.1241   -1.6655
            23  C1x C    -2.8241   -0.4414
            24  C2b C     2.1207    1.5759
            25  O5a O     1.4103    2.7966
            26  C1z C    -2.8241   -2.0759
            27  C1y C    -3.5310   -0.8483
            28  C2b C     2.8241    1.9828
            29  C1y C    -3.5310   -1.6655
            30  C1a C    -2.4207   -2.7828
            31  C1a C    -3.2379   -2.7828
            32  O1a O    -4.2414   -0.4414
            33  C1d C     3.5310    1.5793
            34  O1a O    -4.2414   -2.0690
            35  O7a O     3.5276    0.7621
            36  C1a C     4.2345    1.1724
            37  C1a C     4.2345    1.9931
            38  C7a C     3.5241   -0.0517
            39  C1a C     4.2276   -0.4655
            40  O7a O     2.8103   -0.4586
BOND        43
            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 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 1
            27   24  28 2
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1 #Down
            32   28  33 1
            33   29  34 1 #Down
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37   35  38 1
            38   38  39 1
            39   38  40 2
            40    6  11 1
            41    9  13 1
            42   16  22 2
            43   27  29 1


entry: C08806
name: --- - Cucurbitacin S
formula: C30H42O6
kcf:
ATOM        36
            1   C1z C     0.3724   -0.4172
            2   C1y C    -0.3310   -0.8207
            3   C1z C     0.3828    0.3931
            4   C1x C     1.7828   -0.4310
            5   C1a C     0.3655   -1.2310
            6   C1z C    -1.0345   -0.4103
            7   C1x C    -0.3310   -1.6379
            8   C1y C     1.0897    0.7931
            9   C1x C    -0.3172    0.8069
            10  C1a C     0.3793    1.2103
            11  C1y C     1.7828    0.3793
            12  C1y C    -1.7448   -0.8138
            13  C5x C    -1.0276    0.4069
            14  C1a C    -1.0414   -1.2241
            15  C2x C    -1.0414   -2.0414
            16  C1y C     0.9759    1.5931
            17  O2x O     2.5379    0.6655
            18  C2y C    -1.7483   -1.6310
            19  C2x C    -2.4483   -0.4069
            20  O5x O    -1.7310    0.8207
            21  C5x C     1.5310    2.1793
            22  C1a C     0.1828    1.8103
            23  C1y C     2.7828    1.4379
            24  C1z C    -2.4483   -2.0379
            25  C2y C    -3.1586   -0.8138
            26  C1x C     2.3310    2.1069
            27  O5x O     1.5241    2.9966
            28  C1d C     3.5966    1.4379
            29  C5x C    -3.1586   -1.6310
            30  C1a C    -2.0483   -2.7448
            31  C1a C    -2.8621   -2.7448
            32  O1a O    -3.8655   -0.4069
            33  C1a C     4.4103    1.4379
            34  C1a C     4.0000    2.1483
            35  O1a O     4.1759    0.8621
            36  O5x O    -3.8655   -2.0414
BOND        40
            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
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    8  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1
            19   13  20 2
            20   16  21 1
            21   16  22 1 #Down
            22   17  23 1
            23   18  24 1
            24   19  25 2
            25   21  26 1
            26   21  27 2
            27   23  28 1 #Up
            28   24  29 1
            29   24  30 1
            30   24  31 1
            31   25  32 1
            32   28  33 1
            33   28  34 1
            34   28  35 1
            35   29  36 2
            36    8  11 1
            37    9  13 1
            38   15  18 2
            39   23  26 1
            40   25  29 1


entry: C08807
name: --- - 11-Deoxocucurbitacin I
formula: C30H44O6
kcf:
ATOM        36
            1   C1y C    -0.4724   -0.8552
            2   C1z C     0.2276   -0.4552
            3   C1z C    -1.1724   -0.4448
            4   C1x C    -0.4724   -1.6655
            5   C1z C     0.2379    0.3517
            6   C1x C     1.6276   -0.4724
            7   C1a C     0.2207   -1.2621
            8   C1y C    -1.8759   -0.8448
            9   C1x C    -1.1655    0.3655
            10  C1a C    -1.1793   -1.2552
            11  C2x C    -1.1793   -2.0690
            12  C1y C     0.9448    0.7517
            13  C1x C    -0.4586    0.7655
            14  C1a C     0.2310    1.1655
            15  C1y C     1.6379    0.3345
            16  C2y C    -1.8793   -1.6586
            17  C2x C    -2.5759   -0.4414
            18  C1d C     0.9483    1.5621
            19  O1a O     2.3414    0.7483
            20  C1z C    -2.5759   -2.0655
            21  C2y C    -3.2828   -0.8448
            22  C5a C     1.6483    1.9621
            23  C1a C     0.2414    1.9655
            24  O1a O     0.9448    2.3759
            25  C5x C    -3.2828   -1.6586
            26  C1a C    -2.9931   -2.7655
            27  C1a C    -2.1793   -2.7655
            28  O1a O    -3.9862   -0.4414
            29  C2b C     2.3517    1.5586
            30  O5a O     1.6517    2.7759
            31  O5x O    -3.9862   -2.0690
            32  C2b C     3.0517    1.9586
            33  C1d C     3.7517    1.5552
            34  C1a C     4.4586    1.1448
            35  C1a C     4.4586    1.9621
            36  O1a O     3.7483    0.7414
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    5  14 1 #Up
            14    6  15 1
            15    8  16 1
            16    8  17 1
            17   12  18 1
            18   15  19 1 #Down
            19   16  20 1
            20   17  21 2
            21   18  22 1
            22   18  23 1 #Down
            23   18  24 1 #Up
            24   20  25 1
            25   20  26 1
            26   20  27 1
            27   21  28 1
            28   22  29 1
            29   22  30 2
            30   25  31 2
            31   29  32 2
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36    9  13 1
            37   11  16 2
            38   12  15 1
            39   21  25 1


entry: C08808
name: --- - Gratiogenin
formula: C30H48O4
kcf:
ATOM        34
            1   C1z C    10.9568  -10.4665
            2   O2x O    11.7361  -10.2561
            3   C1x C    10.5120   -9.7906
            4   C1a C    10.1671  -10.2492
            5   C1y C    11.7740   -9.4492
            6   C1x C    11.0154   -9.1596
            7   C1d C    12.4642   -8.9974
            8   O1a O    13.2007   -9.3693
            9   C1a C    12.4181   -8.1737
            10  C1a C    13.1750   -8.5792
            11  C1y C    10.9542  -11.2750
            12  C1z C    10.2388  -12.4761
            13  C1y C     9.5353  -12.8795
            14  C1z C    10.2457  -11.6692
            15  C1x C    11.6388  -12.4933
            16  C1a C    10.2284  -13.2864
            17  C1z C     8.8353  -12.4692
            18  C1x C     9.5353  -13.6899
            19  C1x C     9.5491  -11.2588
            20  C1a C    10.2422  -10.8554
            21  C1x C    11.6457  -11.6830
            22  C1y C     8.1319  -12.8726
            23  C5x C     8.8422  -11.6554
            24  C1a C     8.8284  -13.2795
            25  C2x C     8.8284  -14.0968
            26  C2y C     8.1284  -13.6830
            27  C1x C     7.4284  -12.4657
            28  O5x O     8.1457  -11.2450
            29  C1z C     7.4284  -14.0933
            30  C1x C     6.7250  -12.8726
            31  C1y C     6.7250  -13.6830
            32  C1a C     7.0181  -14.7933
            33  C1a C     7.8284  -14.7933
            34  O1a O     6.0216  -14.0864
BOND        38
            1     5   6 1
            2     5   7 1 #Up
            3    11   1 1
            4     7   8 1
            5     1   2 1
            6     7   9 1
            7     1   3 1
            8     7  10 1
            9     1   4 1 #Up
            10    2   5 1
            11    3   6 1
            12   12  13 1
            13   12  14 1
            14   12  15 1
            15   12  16 1 #Down
            16   13  17 1
            17   13  18 1
            18   14  11 1
            19   14  19 1
            20   14  20 1 #Up
            21   15  21 1
            22   17  22 1
            23   17  23 1
            24   17  24 1 #Up
            25   18  25 1
            26   22  26 1
            27   22  27 1
            28   23  28 2
            29   26  29 1
            30   27  30 1
            31   29  31 1
            32   29  32 1
            33   29  33 1
            34   31  34 1 #Up
            35   11  21 1
            36   19  23 1
            37   25  26 2
            38   30  31 1


entry: C08809
name: --- - Spinoside A
formula: C39H56O12
kcf:
ATOM        51
            1   C1z C     4.0057  -12.6427
            2   C1z C     4.0161  -11.8323
            3   C1y C     3.3023  -13.0461
            4   C1x C     5.4126  -12.6599
            5   C1a C     3.9988  -13.4565
            6   C1y C     4.7230  -11.4323
            7   C1x C     3.3161  -11.4185
            8   C1a C     4.0092  -11.0151
            9   C1z C     2.5988  -12.6323
            10  C1x C     3.3023  -13.8599
            11  C1y C     5.4230  -11.8496
            12  C1d C     4.7195  -10.6185
            13  C1x C     2.6057  -11.8185
            14  C1y C     1.8885  -13.0392
            15  C1a C     2.5919  -13.4461
            16  C2x C     2.5919  -14.2668
            17  C5a C     5.4230  -10.2082
            18  C1a C     4.0092  -10.2082
            19  O1a O     4.7126   -9.8013
            20  C2y C     1.8850  -13.8565
            21  C2x C     1.1850  -12.6289
            22  C2b C     6.1264  -10.6151
            23  O5a O     5.4195   -9.3944
            24  C1z C     1.1850  -14.2634
            25  C2y C     0.4781  -13.0392
            26  C2b C     6.8299  -10.2047
            27  C5x C     0.4781  -13.8565
            28  C1a C     0.7678  -14.9737
            29  C1a C     1.5850  -14.9737
            30  O1a O    -0.2322  -12.6289
            31  C1d C     7.5402  -10.6082
            32  O5x O    -0.2357  -14.2599
            33  C1a C     8.2436  -10.1978
            34  C1a C     7.5367   -9.7944
            35  O1a O     8.2436  -11.0185
            36  C1y C     6.8299  -11.8392
            37  C1y C     6.8230  -12.6565
            38  O2x O     7.5436  -11.4358
            39  C1y C     7.5299  -13.0703
            40  O7a O     6.1161  -13.0565
            41  C1x C     8.2471  -11.8496
            42  C1y C     8.2402  -12.6668
            43  O1a O     7.5230  -13.8875
            44  C7a C     6.1092  -13.8737
            45  O7a O     8.9436  -13.0806
            46  C1a C     5.5264  -14.4496
            47  O7a O     6.6885  -14.4496
            48  C7a C     9.6540  -12.6806
            49  C1a C     9.6471  -11.8634
            50  O7a O    10.3643  -13.0875
            51  O2a O     6.1191  -11.4204
BOND        55
            1    12  17 1
            2    12  18 1 #Down
            3    12  19 1 #Up
            4    14  20 1
            5    14  21 1
            6    17  22 1
            7    17  23 2
            8    20  24 1
            9    21  25 2
            10   22  26 2
            11   24  27 1
            12   24  28 1
            13   24  29 1
            14   25  30 1
            15   26  31 1
            16   27  32 2
            17   31  33 1
            18   31  34 1
            19   31  35 1
            20    6  11 1
            21    9  13 1
            22   16  20 2
            23   25  27 1
            24    1   2 1
            25    1   3 1
            26    1   4 1
            27    1   5 1 #Down
            28    2   6 1
            29    2   7 1
            30    2   8 1 #Up
            31    3   9 1
            32    3  10 1
            33    4  11 1
            34    6  12 1
            35    7  13 1
            36    9  14 1
            37    9  15 1 #Up
            38   36  37 1
            39   36  38 1
            40   37  39 1
            41   37  40 1 #Up
            42   38  41 1
            43   39  42 1
            44   39  43 1 #Down
            45   40  44 1
            46   42  45 1 #Down
            47   44  46 1
            48   44  47 2
            49   45  48 1
            50   48  49 1
            51   48  50 2
            52   41  42 1
            53   10  16 1
            54   36  51 1 #Down
            55   11  51 1 #Down


entry: C08810
name: --- - Ajugalactone
formula: C29H40O8
kcf:
ATOM        37
            1   C1z C     0.1310   -0.8897
            2   C1z C     0.1379   -0.0759
            3   C2y C    -0.5724   -1.2862
            4   C1x C     1.5310   -0.9000
            5   O1a O     0.1207   -1.6965
            6   C1y C     0.8448    0.3172
            7   C5x C    -0.5586    0.3345
            8   C1a C     0.1345    0.7379
            9   C1y C    -1.2724   -0.8793
            10  C2x C    -0.5724   -2.1000
            11  C1x C     1.5379   -0.0931
            12  C1d C     0.8414    1.1276
            13  C1x C    -1.2655   -0.0690
            14  O5x O    -0.5517    1.1448
            15  C1z C    -1.9759   -1.2793
            16  C5x C    -1.2793   -2.5035
            17  C1y C     1.5379    1.5379
            18  C1a C     0.1345    1.5379
            19  O1a O     0.8379    1.9414
            20  C1y C    -1.9793   -2.0931
            21  C1x C    -2.6793   -0.8759
            22  C1a C    -1.9828   -0.4690
            23  O5x O    -1.2828   -3.3172
            24  C1x C     2.2414    1.1276
            25  O7x O     1.5379    2.3483
            26  C1x C    -2.6793   -2.5000
            27  C1y C    -3.3828   -1.2793
            28  C2y C     2.9448    1.5345
            29  C7x C     2.2448    2.7483
            30  C1y C    -3.3828   -2.0931
            31  O1a O    -4.0862   -0.8759
            32  C2y C     2.9448    2.3448
            33  C1b C     3.6414    1.1379
            34  O7x O     2.2448    3.5621
            35  O1a O    -4.0862   -2.4966
            36  C1a C     3.6448    2.7483
            37  C1a C     4.3448    1.5448
BOND        41
            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 #Up
            8     3   9 1
            9     3  10 2
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14    9  15 1
            15   10  16 1
            16   12  17 1
            17   12  18 1 #Down
            18   12  19 1 #Up
            19   15  20 1
            20   15  21 1
            21   15  22 1 #Up
            22   16  23 2
            23   17  24 1
            24   17  25 1
            25   20  26 1
            26   21  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30   27  31 1 #Up
            31   28  32 2
            32   28  33 1
            33   29  34 2
            34   30  35 1 #Up
            35   32  36 1
            36   33  37 1
            37    6  11 1
            38    9  13 1
            39   16  20 1
            40   27  30 1
            41   29  32 1


entry: C08811
name: --- - Ajugasterone C
formula: C27H44O7
kcf:
ATOM        34
            1   C2y C    -0.3138   -0.9345
            2   C1z C     0.3862   -0.5345
            3   C1y C    -1.0138   -0.5276
            4   C2x C    -0.3138   -1.7448
            5   C1z C     0.3966    0.2724
            6   C1x C     1.7862   -0.5517
            7   O1a O     0.3793   -1.3448
            8   C1z C    -1.7172   -0.9276
            9   C1y C    -1.0069    0.2828
            10  C5x C    -1.0207   -2.1517
            11  C1y C     1.1035    0.6690
            12  C1x C    -0.3000    0.6862
            13  C1a C     0.3897    1.0862
            14  C1x C     1.7966    0.2552
            15  C1y C    -1.7207   -1.7414
            16  C1x C    -2.4172   -0.5241
            17  C1a C    -1.7241   -0.1138
            18  O1a O    -1.7138    0.6931
            19  O5x O    -1.0310   -2.9621
            20  C1d C     1.1069    1.4793
            21  C1x C    -2.4172   -2.1483
            22  C1y C    -3.1241   -0.9276
            23  C1c C     1.8069    1.8793
            24  C1a C     0.4000    1.8862
            25  O1a O     1.1035    2.2931
            26  C1y C    -3.1241   -1.7414
            27  O1a O    -3.8310   -0.5241
            28  C1b C     2.5103    1.4759
            29  O1a O     1.8035    2.6931
            30  O1a O    -3.8310   -2.1448
            31  C1b C     3.2103    1.8759
            32  C1c C     3.9103    1.4724
            33  C1a C     4.6172    1.8724
            34  C1a C     3.9069    0.6586
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    8  15 1
            15    8  16 1
            16    8  17 1 #Up
            17    9  18 1 #Down
            18   10  19 2
            19   11  20 1
            20   15  21 1
            21   16  22 1
            22   20  23 1
            23   20  24 1 #Down
            24   20  25 1 #Up
            25   21  26 1
            26   22  27 1 #Up
            27   23  28 1
            28   23  29 1 #Down
            29   26  30 1 #Up
            30   28  31 1
            31   31  32 1
            32   32  33 1
            33   32  34 1
            34    9  12 1
            35   10  15 1
            36   11  14 1
            37   22  26 1


entry: C08812
name: --- - delta5-Avenasterol
formula: C29H48O
kcf:
ATOM        30
            1   C1y C    -0.6552   -1.1035
            2   C1y C     0.0414   -0.7034
            3   C1y C    -1.3586   -0.6931
            4   C1x C    -0.6552   -1.9138
            5   C1z C     0.0517    0.1069
            6   C1x C     1.4414   -0.7172
            7   C1z C    -2.0621   -1.0966
            8   C1x C    -1.3517    0.1138
            9   C2x C    -1.3655   -2.3207
            10  C1y C     0.7621    0.5034
            11  C1x C    -0.6448    0.5172
            12  C1a C     0.0448    0.9207
            13  C1x C     1.4517    0.0897
            14  C2y C    -2.0655   -1.9069
            15  C1x C    -2.7586   -0.6897
            16  C1a C    -2.0690   -0.2862
            17  C1c C     0.7552    1.3103
            18  C1x C    -2.7586   -2.3172
            19  C1x C    -3.4690   -1.0966
            20  C1b C     1.4517    1.7207
            21  C1a C     0.0448    1.7207
            22  C1y C    -3.4690   -1.9069
            23  C1b C     2.1552    1.3172
            24  O1a O    -4.1724   -2.3138
            25  C2c C     2.8552    1.7241
            26  C1c C     3.5621    1.3207
            27  C2b C     2.8517    2.5310
            28  C1a C     3.5621    0.5138
            29  C1a C     4.2621    1.7310
            30  C1a C     3.5517    2.9379
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   17  21 1 #Down
            21   18  22 1
            22   20  23 1
            23   22  24 1 #Up
            24   23  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 1
            28   26  29 1
            29   27  30 1
            30    8  11 1
            31    9  14 2
            32   10  13 1
            33   19  22 1


entry: C08813
name: --- - Brassicasterol
formula: C28H46O
kcf:
ATOM        29
            1   C1y C     0.1655   -0.5966
            2   C1y C    -0.5310   -0.9966
            3   C1z C     0.1759    0.2069
            4   C1x C     1.5621   -0.6138
            5   C1y C    -1.2276   -0.5897
            6   C1x C    -0.5310   -1.8069
            7   C1y C     0.8793    0.6000
            8   C1x C    -0.5172    0.6138
            9   C1a C     0.1690    1.0138
            10  C1x C     1.5690    0.1897
            11  C1z C    -1.9276   -0.9897
            12  C1x C    -1.2207    0.2172
            13  C2x C    -1.2345   -2.2103
            14  C1c C     0.8724    1.4069
            15  C2y C    -1.9310   -1.8000
            16  C1x C    -2.6276   -0.5862
            17  C1a C    -1.9345   -0.1793
            18  C2b C     1.5690    1.8103
            19  C1a C     0.1690    1.8103
            20  C1x C    -2.6276   -2.2069
            21  C1x C    -3.3310   -0.9897
            22  C2b C     2.2655    1.4103
            23  C1y C    -3.3310   -1.8000
            24  C1c C     2.9655    1.8138
            25  O1a O    -4.0310   -2.2000
            26  C1c C     3.6621    1.4138
            27  C1a C     2.9621    2.6241
            28  C1a C     3.6621    0.6103
            29  C1a C     4.3621    1.8207
BOND        32
            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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 2
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   24  27 1 #Down
            27   26  28 1
            28   26  29 1
            29    7  10 1
            30    8  12 1
            31   13  15 2
            32   21  23 1


entry: C08814
name: --- - Brassinolide
formula: C28H48O6
kcf:
ATOM        34
            1   C1y C     4.5176  -12.9102
            2   C1y C     5.2417  -12.5275
            3   C1y C     3.8279  -12.4792
            4   C1x C     4.6038  -13.7206
            5   C1z C     5.2658  -11.7171
            6   C1x C     6.6452  -12.5792
            7   C1z C     3.0589  -12.7447
            8   C1x C     3.8555  -11.6654
            9   O7x O     4.0245  -14.2999
            10  C1y C     5.9865  -11.3378
            11  C1x C     4.5796  -11.2826
            12  C1a C     5.2589  -10.9068
            13  C1x C     6.6762  -11.7689
            14  C1y C     2.7831  -13.5068
            15  C1x C     2.5382  -12.1309
            16  C7x C     3.2141  -14.2033
            17  C1c C     5.9796  -10.5309
            18  C1x C     1.9934  -13.6585
            19  C1y C     1.7417  -12.2758
            20  O7x O     2.7796  -14.8861
            21  C1c C     6.6762  -10.1275
            22  C1a C     5.2762  -10.1275
            23  C1y C     1.4693  -13.0413
            24  O1a O     1.3314  -11.5723
            25  C1c C     7.3727  -10.5275
            26  O1a O     6.6727   -9.3206
            27  O1a O     0.6831  -13.2482
            28  C1c C     8.0727  -10.1240
            29  O1a O     7.3693  -11.3344
            30  C1c C     8.7693  -10.5240
            31  C1a C     8.0693   -9.3137
            32  C1a C     9.4693  -10.1206
            33  C1a C     8.7693  -11.3309
            34  C1a C     3.0542  -11.9167
BOND        37
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     4   9 1
            8     5  10 1
            9     5  11 1
            10    5  12 1 #Up
            11    6  13 1
            12    7  14 1
            13    7  15 1
            14    9  16 1
            15   10  17 1
            16   14  18 1
            17   15  19 1
            18   16  20 2
            19   17  21 1
            20   17  22 1 #Down
            21   18  23 1
            22   19  24 1 #Down
            23   21  25 1
            24   21  26 1 #Up
            25   23  27 1 #Down
            26   25  28 1
            27   25  29 1 #Up
            28   28  30 1
            29   28  31 1 #Up
            30   30  32 1
            31   30  33 1
            32    8  11 1
            33   10  13 1
            34   14  16 1
            35   19  23 1
            36    7  34 1 #Up
            37    1   2 1


