# compounds

entry: C10694
name: --- - Haplopine - Heliparvifoline
formula: C13H11NO4
kcf:
ATOM        18
            1   N5x N    16.7588  -15.4208
            2   C8y C    16.7588  -13.7625
            3   C8y C    16.0426  -14.1750
            4   C8y C    16.0461  -15.0042
            5   C8y C    15.3293  -15.4239
            6   C8y C    14.6089  -15.0103
            7   C8x C    14.6053  -14.1811
            8   C8x C    15.3222  -13.7656
            9   C8y C    17.4791  -15.0042
            10  C8y C    17.4767  -14.1733
            11  C8x C    18.2663  -13.9155
            12  C8x C    18.7541  -14.5871
            13  O2x O    18.2703  -15.2615
            14  O2a O    16.7625  -12.9375
            15  C1a C    16.0458  -12.5208
            16  O1a O    13.8958  -15.4250
            17  O2a O    15.3333  -16.2458
            18  C1a C    16.0500  -16.6542
BOND        20
            1     8   3 1
            2     9   1 2
            3     1   4 1
            4     3   2 1
            5     2  10 2
            6     9  10 1
            7    10  11 1
            8    11  12 2
            9    12  13 1
            10   13   9 1
            11    3   4 2
            12    2  14 1
            13    4   5 1
            14   14  15 1
            15    5   6 2
            16    6  16 1
            17    6   7 1
            18    5  17 1
            19    7   8 2
            20   17  18 1


entry: C10695
name: --- - Humulone
formula: C21H30O5
kcf:
ATOM        26
            1   C2y C     4.3458  -12.4500
            2   C1z C     4.3458  -13.2792
            3   C5x C     5.0662  -13.6958
            4   C2y C     5.7824  -13.2792
            5   C2y C     5.7824  -12.4500
            6   C2y C     5.0662  -12.0375
            7   C1b C     3.6292  -13.6958
            8   C2b C     2.9125  -13.2792
            9   C2c C     2.2000  -13.6958
            10  C1a C     1.4833  -13.2792
            11  C5a C     6.4958  -13.6917
            12  C1b C     7.2125  -13.2750
            13  C1c C     7.9250  -13.6875
            14  C1a C     8.6417  -13.2708
            15  O5a O     6.4968  -14.5208
            16  O5x O     5.0672  -14.5250
            17  C1a C     2.2000  -14.5250
            18  C1a C     7.9268  -14.5167
            19  O1a O     6.5013  -12.0380
            20  O1a O     3.6274  -12.0371
            21  C1b C     5.0672  -11.2083
            22  C2b C     5.7864  -10.7926
            23  C2c C     5.7874   -9.9634
            24  C1a C     6.5066   -9.5518
            25  C1a C     5.0693   -9.5500
            26  O1a O     4.3417  -14.1083
BOND        26
            1    12  13 1
            2    13  14 1
            3     2   7 1 #Up
            4    11  15 2
            5     1   2 1
            6     3  16 2
            7     7   8 1
            8     9  17 1
            9     2   3 1
            10   13  18 1
            11    8   9 2
            12    5  19 1
            13    3   4 1
            14    1  20 1
            15    9  10 1
            16    6  21 1
            17    4   5 2
            18   21  22 1
            19    4  11 1
            20   22  23 2
            21    5   6 1
            22   23  24 1
            23   11  12 1
            24   23  25 1
            25    6   1 2
            26    2  26 1 #Down


entry: C10696
name: --- - Hydroquinidine
formula: C20H26N2O2
kcf:
ATOM        24
            1   C8y C    13.7208  -16.6749
            2   C8x C    13.7208  -17.5041
            3   C8x C    14.4412  -17.9166
            4   C8x C    14.4412  -16.2583
            5   C8y C    15.1574  -16.6749
            6   C8y C    15.1538  -17.5041
            7   N5x N    15.8707  -17.9196
            8   C8x C    16.5911  -17.5102
            9   C8x C    16.5946  -16.6810
            10  C8y C    15.8778  -16.2613
            11  C1c C    15.8750  -15.4333
            12  C1y C    16.5917  -15.0208
            13  O2a O    13.0083  -16.2583
            14  O1a O    15.1542  -15.0208
            15  N1y N    17.4607  -14.5285
            16  C1x C    17.4602  -13.7873
            17  C1x C    18.3505  -14.9990
            18  C1y C    17.0112  -13.9294
            19  C1y C    17.0147  -13.3459
            20  C1x C    17.9368  -14.3467
            21  C1b C    16.7043  -12.5796
            22  C1x C    16.1818  -14.4281
            23  C1a C    17.2116  -11.9291
            24  C1a C    13.0129  -15.4333
BOND        27
            1    11  14 1 #Down
            2     9  10 2
            3    10   5 1
            4    10  11 1
            5     1   2 1
            6    12  15 1
            7    11  12 1
            8     2   3 2
            9     3   6 1
            10    5   4 1
            11    4   1 2
            12    5   6 2
            13    6   7 1
            14   15  16 1
            15   15  17 1
            16   22  18 1
            17   16  19 1
            18   17  20 1
            19   19  21 1 #Up
            20   18  19 1
            21   18  20 1
            22    1  13 1
            23   12  22 1
            24    7   8 2
            25   21  23 1
            26   13  24 1
            27    8   9 1


entry: C10697
name: --- - Isodictamnine
formula: C12H9NO2
kcf:
ATOM        15
            1   N4y N    16.3880  -14.6000
            2   C8y C    16.3880  -12.9500
            3   C8y C    15.6760  -13.3625
            4   C8y C    15.6795  -14.1875
            5   C8x C    14.9668  -14.6030
            6   C8x C    14.2506  -14.1936
            7   C8x C    14.2470  -13.3686
            8   C8x C    14.9597  -12.9531
            9   C8y C    17.1042  -14.1875
            10  C8y C    17.1017  -13.3608
            11  C8x C    17.8872  -13.1030
            12  C8x C    18.3750  -13.7704
            13  O2x O    17.8911  -14.4406
            14  O5x O    16.3958  -12.1250
            15  C1a C    16.3958  -15.4250
BOND        17
            1     5   6 2
            2     6   7 1
            3     7   8 2
            4     8   3 1
            5     9   1 1
            6     1   4 1
            7     3   2 1
            8     2  10 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13   9 1
            14    3   4 2
            15    2  14 2
            16    4   5 1
            17    1  15 1


entry: C10698
name: --- - Isofebrifugine
formula: C16H19N3O3
kcf:
ATOM        22
            1   N1x N     7.8537  -12.9222
            2   C1x C     8.5699  -12.5055
            3   C1x C     8.5699  -11.6763
            4   C1x C     7.8537  -11.2638
            5   C1y C     7.1375  -12.5055
            6   C1y C     7.1356  -11.6761
            7   O2x O     6.3459  -11.4228
            8   C1z C     5.8583  -12.0958
            9   C1x C     6.3491  -12.7665
            10  C8x C     1.5583  -12.0875
            11  C8x C     1.5583  -12.9167
            12  C8x C     2.2787  -13.3292
            13  C8x C     2.2787  -11.6708
            14  C8y C     2.9907  -12.0875
            15  C8y C     2.9872  -12.9167
            16  N5x N     3.7040  -13.3322
            17  C8x C     4.4244  -12.9228
            18  N4y N     4.4280  -12.0936
            19  C8y C     3.7111  -11.6739
            20  C1b C     5.1417  -11.6792
            21  O5x O     3.7042  -10.8417
            22  O1a O     5.4375  -12.8125
BOND        25
            1    10  11 1
            2    11  12 2
            3    12  15 1
            4    14  13 1
            5    13  10 2
            6     2   3 1
            7     3   4 1
            8     5   6 1
            9     6   7 1
            10    7   8 1
            11    8   9 1
            12   14  15 2
            13   15  16 1
            14   16  17 2
            15   17  18 1
            16   18  19 1
            17   19  14 1
            18    9   5 1
            19   18  20 1
            20   20   8 1
            21    4   6 1
            22   19  21 2
            23    8  22 1 #Either
            24    5   1 1
            25    1   2 1


entry: C10699
name: --- - Japonine
formula: C18H17NO3
kcf:
ATOM        22
            1   C8x C    14.1584  -14.4084
            2   C8y C    14.1584  -13.5792
            3   C8x C    14.8787  -13.1667
            4   C8x C    14.8787  -14.8250
            5   C8y C    15.5949  -14.4084
            6   C8y C    15.5914  -13.5792
            7   C8y C    16.3124  -13.1637
            8   C8y C    17.0328  -13.5731
            9   C8y C    17.0363  -14.4023
            10  N4y N    16.3195  -14.8220
            11  C8y C    17.7504  -14.8139
            12  C8x C    18.4672  -14.3942
            13  C8x C    19.1876  -14.8078
            14  C8x C    19.1912  -15.6370
            15  C8x C    18.4743  -16.0525
            16  C8x C    17.7539  -15.6431
            17  O2a O    13.4417  -13.1667
            18  O2a O    17.7417  -13.1667
            19  C1a C    18.4584  -13.5792
            20  C1a C    16.3167  -15.6500
            21  O5x O    16.3042  -12.3375
            22  C1a C    12.7278  -13.5801
BOND        24
            1     1   2 1
            2     2   3 2
            3     3   6 1
            4     5   4 1
            5     4   1 2
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14  15 1
            10   15  16 2
            11   16  11 1
            12    9  11 1
            13    5   6 2
            14    2  17 1
            15    6   7 1
            16    7   8 1
            17    8  18 1
            18    8   9 2
            19   18  19 1
            20    9  10 1
            21   10  20 1
            22   10   5 1
            23    7  21 2
            24   17  22 1


entry: C10700
name: --- - 4'-Hydroxyacetophenone - (4-Hydroxyphenyl)ethan-1-one
formula: C8H8O2
kcf:
ATOM        10
            1   C8x C     4.1042  -11.8958
            2   C8x C     4.1042  -12.7250
            3   C8y C     4.8245  -13.1375
            4   C8x C     5.5407  -12.7250
            5   C8x C     5.5407  -11.8958
            6   C8y C     4.8245  -11.4792
            7   C5a C     4.8256  -10.6500
            8   C1a C     5.5447  -10.2384
            9   O5a O     4.1074  -10.2366
            10  O1a O     4.8256  -13.9667
BOND        10
            1     4   5 2
            2     5   6 1
            3     6   1 2
            4     6   7 1
            5     1   2 1
            6     7   8 1
            7     2   3 2
            8     7   9 2
            9     3   4 1
            10    3  10 1


entry: C10701
name: --- - Kokusaginine - Furo(2,3-b)quinoline, 4,6,7-trimethoxy-
formula: C14H13NO4
kcf:
ATOM        19
            1   N5x N    17.1005  -15.1209
            2   C8y C    17.1005  -13.4625
            3   C8y C    16.3843  -13.8750
            4   C8y C    16.3879  -14.7042
            5   C8x C    15.6710  -15.1239
            6   C8y C    14.9506  -14.7103
            7   C8y C    14.9471  -13.8811
            8   C8x C    15.6639  -13.4656
            9   C8y C    17.8209  -14.7042
            10  C8y C    17.8184  -13.8734
            11  C8x C    18.6081  -13.6155
            12  C8x C    19.0959  -14.2871
            13  O2x O    18.6120  -14.9615
            14  O2a O    17.1042  -12.6375
            15  C1a C    16.3875  -12.2209
            16  O2a O    14.2375  -15.1250
            17  O2a O    14.2375  -13.4709
            18  C1a C    13.5250  -13.8834
            19  C1a C    13.5250  -14.7084
BOND        21
            1     9   1 2
            2     1   4 1
            3     3   2 1
            4     2  10 2
            5     9  10 1
            6    10  11 1
            7    11  12 2
            8    12  13 1
            9    13   9 1
            10    3   4 2
            11    2  14 1
            12    4   5 1
            13   14  15 1
            14    5   6 2
            15    6  16 1
            16    6   7 1
            17    7  17 1
            18    7   8 2
            19   17  18 1
            20    8   3 1
            21   16  19 1


entry: C10702
name: --- - 4'-Hydroxy-3'-prenylacetophenone
formula: C13H16O2
kcf:
ATOM        15
            1   C8x C     2.6750  -11.8375
            2   C8x C     2.6750  -12.6667
            3   C8y C     3.3954  -13.0792
            4   C8y C     4.1115  -12.6667
            5   C8x C     4.1115  -11.8375
            6   C8y C     3.3954  -11.4208
            7   C5a C     3.3964  -10.5917
            8   C1a C     4.1156  -10.1801
            9   O5a O     2.6783  -10.1783
            10  O1a O     3.3964  -13.9083
            11  C1b C     4.8250  -13.0750
            12  C2b C     5.5417  -12.6625
            13  C2c C     6.2542  -13.0708
            14  C1a C     6.9708  -12.6583
            15  C1a C     6.2560  -13.9000
BOND        15
            1     1   2 1
            2     7   8 1
            3     2   3 2
            4     7   9 2
            5     3   4 1
            6     3  10 1
            7     4   5 2
            8     4  11 1
            9     5   6 1
            10   11  12 1
            11    6   1 2
            12   12  13 2
            13   13  14 1
            14    6   7 1
            15   13  15 1


entry: C10703
name: --- - Leiokinine A
formula: C14H17NO2
kcf:
ATOM        17
            1   C8x C     2.3042  -11.6208
            2   C8x C     2.3042  -12.4500
            3   C8x C     3.0245  -12.8667
            4   C8x C     3.0245  -11.2083
            5   C8y C     3.7365  -11.6208
            6   C8y C     3.7330  -12.4500
            7   N4y N     4.4499  -12.8697
            8   C8y C     5.1703  -12.4561
            9   C8y C     5.1738  -11.6269
            10  C8y C     4.4569  -11.2114
            11  C1b C     5.8833  -12.8708
            12  C1b C     6.6000  -12.4542
            13  C1a C     7.3167  -12.8708
            14  C1a C     4.4417  -13.6958
            15  O2a O     5.8875  -11.2167
            16  C1a C     6.6042  -11.6292
            17  O5x O     4.4500  -10.3792
BOND        18
            1     6   7 1
            2     7   8 1
            3     8   9 2
            4     9  10 1
            5    10   5 1
            6     8  11 1
            7     1   2 1
            8    11  12 1
            9     2   3 2
            10   12  13 1
            11    3   6 1
            12    7  14 1
            13    5   4 1
            14    9  15 1
            15    4   1 2
            16   15  16 1
            17    5   6 2
            18   10  17 2


entry: C10704
name: --- - alpha-Kosin
formula: C25H32O8
kcf:
ATOM        33
            1   C8y C     9.4500   -8.2042
            2   C8y C     9.4500   -9.0083
            3   C8y C    10.1496   -9.4084
            4   C8y C    10.8449   -9.0083
            5   C8y C    10.8449   -8.2042
            6   C8y C    10.1496   -7.8041
            7   O1a O    11.5430   -7.8005
            8   C1a C    10.1506   -6.9958
            9   C5a C     8.7524   -9.4087
            10  C1c C     8.0544   -9.0091
            11  O2a O     8.7524   -7.8038
            12  C1a C     8.7529   -6.9954
            13  C1a C     7.3568   -9.4095
            14  C1a C     8.0539   -8.2049
            15  O5a O     8.7529  -10.2129
            16  O1a O    10.1506  -10.2125
            17  C1b C    11.9167   -9.5333
            18  C8y C    13.0125   -8.2459
            19  C8y C    13.0125   -9.0500
            20  C8y C    13.7120   -9.4542
            21  C8y C    14.4074   -9.0500
            22  C8y C    14.4074   -8.2459
            23  C8y C    13.7120   -7.8458
            24  O1a O    12.3149   -7.8455
            25  C1a C    13.7089   -7.0375
            26  O2a O    15.1055   -7.8422
            27  C1a C    15.1061   -7.0380
            28  C5a C    15.1055   -9.4536
            29  O5a O    15.1061  -10.2578
            30  C1c C    15.8029   -9.0490
            31  C1a C    16.5011   -9.4526
            32  C1a C    15.8023   -8.2448
            33  O1a O    13.7089  -10.2583
BOND        34
            1     6   8 1
            2    17   4 1
            3     2   3 1
            4     2   9 1
            5     3   4 2
            6     9  10 1
            7     4   5 1
            8     1  11 1
            9    18  19 2
            10   19  20 1
            11   20  21 2
            12   21  22 1
            13   22  23 2
            14   23  18 1
            15    5   6 2
            16   18  24 1
            17   11  12 1
            18   23  25 1
            19    6   1 1
            20   22  26 1
            21   10  13 1
            22   26  27 1
            23   21  28 1
            24   10  14 1
            25   28  29 2
            26    5   7 1
            27   28  30 1
            28    9  15 2
            29   30  31 1
            30    1   2 2
            31   30  32 1
            32    3  16 1
            33   20  33 1
            34   17  19 1


entry: C10705
name: --- - Lemobiline
formula: C15H17NO2
kcf:
ATOM        18
            1   C8x C     8.7213   -5.0958
            2   C8x C     8.0093   -4.6833
            3   C8x C     8.0093   -3.8583
            4   C8x C     8.7213   -3.4458
            5   C8y C     9.4375   -4.6833
            6   C8y C     9.4375   -3.8583
            7   C8y C    10.1519   -3.4458
            8   N4y N    10.1519   -5.0958
            9   C8y C    10.8664   -4.6833
            10  C8y C    10.8685   -3.8581
            11  C1y C    11.6541   -3.6051
            12  C1z C    12.1372   -4.2740
            13  O2x O    11.6505   -4.9404
            14  C1a C    11.6583   -2.7791
            15  C1a C    12.7250   -4.8541
            16  C1a C    12.8541   -3.8583
            17  C1a C    10.1583   -5.9208
            18  O5x O    10.1583   -2.6208
BOND        20
            1     8   5 1
            2     3   4 2
            3     4   6 1
            4     5   1 1
            5     1   2 2
            6     9  10 2
            7    10  11 1
            8    11  12 1
            9    12  13 1
            10   13   9 1
            11    2   3 1
            12   11  14 1 #Either
            13    5   6 2
            14   12  15 1
            15    6   7 1
            16   12  16 1
            17    7  10 1
            18    8  17 1
            19    9   8 1
            20    7  18 2


entry: C10706
name: --- - Lupulone
formula: C26H38O4
kcf:
ATOM        30
            1   C2y C     4.3458  -11.6375
            2   C1z C     4.3458  -12.4667
            3   C5x C     5.0662  -12.8833
            4   C2y C     5.7824  -12.4667
            5   C2y C     5.7824  -11.6375
            6   C2y C     5.0662  -11.2250
            7   O1a O     6.5013  -11.2255
            8   O1a O     3.6274  -11.2246
            9   C5a C     5.0672  -10.3958
            10  C1b C     5.7864   -9.9801
            11  C1c C     5.7874   -9.1509
            12  C1a C     6.5066   -8.7393
            13  O5a O     4.3491   -9.9783
            14  C1a C     5.0693   -8.7375
            15  C1b C     6.4958  -12.8792
            16  C2b C     7.2125  -12.4625
            17  C2c C     7.9250  -12.8750
            18  C1a C     8.6417  -12.4583
            19  C1a C     7.9268  -13.7042
            20  O5x O     5.0672  -13.7125
            21  C1b C     3.9292  -13.1833
            22  C2b C     4.3417  -13.9000
            23  C2c C     3.9333  -14.6167
            24  C1a C     4.3458  -15.3333
            25  C1a C     3.1042  -14.6185
            26  C1b C     3.6250  -12.0542
            27  C2b C     2.9083  -12.4667
            28  C2c C     2.1958  -12.0542
            29  C1a C     1.4792  -12.4667
            30  C1a C     2.1958  -11.2250
BOND        30
            1     4  15 1
            2     1   2 1
            3    15  16 1
            4     1   8 1
            5    16  17 2
            6     2   3 1
            7    17  18 1
            8     6   9 1
            9    17  19 1
            10    3   4 1
            11    3  20 2
            12    9  10 1
            13    2  21 1
            14    4   5 2
            15   21  22 1
            16   10  11 1
            17   22  23 2
            18    5   6 1
            19   23  24 1
            20   11  12 1
            21   23  25 1
            22    6   1 2
            23    2  26 1
            24    9  13 2
            25   26  27 1
            26   27  28 2
            27   11  14 1
            28   28  29 1
            29    5   7 1
            30   28  30 1


entry: C10707
name: --- - Neoisostegane
formula: C23H26O7
kcf:
ATOM        30
            1   C7x C    14.6398   -7.6960
            2   O7x O    15.1464   -7.0512
            3   C1x C    14.6939   -6.3653
            4   C1y C    13.9008   -6.5871
            5   C1y C    13.8669   -7.4073
            6   C8y C    12.0597   -7.4305
            7   C8y C    12.6478   -8.0022
            8   C1x C    13.4003   -6.1408
            9   C8y C    12.4486   -8.8049
            10  C1x C    13.4403   -8.0435
            11  C8y C    11.6561   -9.0324
            12  O2a O    11.4596   -9.8393
            13  C1a C    10.6673  -10.0663
            14  C8x C    11.3155   -7.6314
            15  C8y C    11.0615   -8.4649
            16  O2a O    10.2638   -8.6705
            17  C1a C    10.0473   -9.4662
            18  O2a O    13.0369   -9.3790
            19  C1a C    13.8261   -9.1530
            20  O7x O    14.8554   -8.4870
            21  C8y C    12.0182   -6.6267
            22  C8y C    12.6708   -6.1213
            23  C8x C    12.5609   -5.3049
            24  C8y C    11.7984   -4.9940
            25  C8y C    11.1459   -5.4953
            26  C8x C    11.2599   -6.3116
            27  O2a O    11.6878   -4.1723
            28  O2a O    10.3784   -5.1823
            29  C1a C    10.2678   -4.3606
            30  C1a C    10.9203   -3.8552
BOND        33
            1     4   5 1
            2     5   1 1
            3     6  14 1
            4     1   2 1
            5    11  15 1
            6     2   3 1
            7     3   4 1
            8    21   6 1
            9    14  15 2
            10   15  16 1
            11   16  17 1
            12    6   7 2
            13    9  18 1
            14   18  19 1
            15   22   8 1
            16    1  20 2
            17    7   9 1
            18    7  10 1
            19    8   4 1
            20    9  11 2
            21   10   5 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   26  21 1
            28   24  27 1
            29   11  12 1
            30   25  28 1
            31   12  13 1
            32   28  29 1
            33   27  30 1


entry: C10708
name: --- - Mallotophenone
formula: C21H24O8
kcf:
ATOM        29
            1   C8y C     7.0250  -10.4334
            2   C8y C     7.0250  -11.2334
            3   C8y C     7.7162  -11.6333
            4   C8y C     8.4116  -11.2334
            5   C8y C     8.4116  -10.4334
            6   C8y C     7.7162  -10.0291
            7   C5a C     7.7173   -9.2291
            8   C1a C     8.4156   -8.8301
            9   O5a O     7.0282   -8.8283
            10  O1a O     6.3274  -10.0288
            11  C1a C     6.3274  -11.6337
            12  O2a O     7.7173  -12.4375
            13  C1a C     7.0282  -12.8342
            14  O1a O     9.1055  -10.0297
            15  C1b C     9.5041  -11.7208
            16  C8y C    10.6125  -10.4792
            17  C8y C    10.6125  -11.2792
            18  C8y C    11.3120  -11.6792
            19  C8y C    11.9991  -11.2792
            20  C8y C    11.9991  -10.4792
            21  C8y C    11.3120  -10.0750
            22  O1a O     9.9190  -10.0747
            23  C5a C    11.3130   -9.2750
            24  C1a C    12.0031   -8.8759
            25  O5a O    10.6157   -8.8741
            26  O2a O    11.3130  -12.4834
            27  C1a C    12.0031  -12.8824
            28  C1a C    12.6972  -11.6787
            29  O1a O    12.6972  -10.0756
BOND        30
            1     6   7 1
            2    15   4 1
            3     1   2 2
            4     7   8 1
            5     2   3 1
            6     7   9 2
            7     3   4 2
            8     1  10 1
            9    16  17 2
            10   17  18 1
            11   18  19 2
            12   19  20 1
            13   20  21 2
            14   21  16 1
            15    4   5 1
            16   16  22 1
            17    2  11 1
            18   21  23 1
            19    5   6 2
            20   23  24 1
            21    3  12 1
            22   23  25 2
            23    6   1 1
            24   18  26 1
            25   12  13 1
            26   26  27 1
            27   19  28 1
            28    5  14 1
            29   20  29 1
            30   15  17 1


entry: C10709
name: --- - Multifidol
formula: C11H14O4
kcf:
ATOM        15
            1   C8y C    10.4041   -7.4958
            2   C8x C    10.4041   -8.3250
            3   C8y C    11.1245   -8.7416
            4   C8x C    11.8407   -8.3250
            5   C8y C    11.8407   -7.4958
            6   C8y C    11.1245   -7.0833
            7   C5a C    11.1255   -6.2541
            8   O1a O     9.6857   -7.0829
            9   O1a O    12.5596   -7.0838
            10  O1a O    11.1255   -9.5708
            11  C1c C    11.8447   -5.8384
            12  C1b C    12.5628   -6.2559
            13  O5a O    10.4074   -5.8366
            14  C1a C    13.2786   -5.8456
            15  C1a C    11.8458   -5.0134
BOND        15
            1     1   8 1
            2     2   3 2
            3     5   9 1
            4     3   4 1
            5     3  10 1
            6     4   5 2
            7     7  11 1
            8     5   6 1
            9     6   1 2
            10   11  12 1
            11    6   7 1
            12    7  13 2
            13   12  14 1
            14    1   2 1
            15   11  15 1 #Either


entry: C10710
name: --- - Lunacridine
formula: C17H23NO4
kcf:
ATOM        22
            1   C8x C     1.9490  -11.6167
            2   C8x C     1.9455  -12.4458
            3   C8y C     2.6624  -12.8655
            4   C8x C     2.6694  -11.2072
            5   C8y C     3.3863  -11.6228
            6   C8y C     3.3788  -12.4498
            7   N4y N     4.0919  -12.8718
            8   C8y C     4.8124  -12.4627
            9   C8y C     4.8198  -11.6357
            10  C8y C     4.1068  -11.2178
            11  C1b C     5.5375  -11.2292
            12  C1c C     6.2458  -11.6458
            13  C1c C     6.9667  -11.2417
            14  C1a C     7.6792  -11.6583
            15  O2a O     2.6542  -13.6917
            16  O2a O     4.1000  -10.3875
            17  O5x O     5.5250  -12.8792
            18  C1a C     6.9625  -10.4125
            19  O1a O     6.2417  -12.4750
            20  C1a C     4.8167   -9.9667
            21  C1a C     3.3708  -14.1042
            22  C1a C     4.0875  -13.7000
BOND        23
            1     9  11 1
            2     1   2 1
            3    11  12 1
            4     2   3 2
            5    12  13 1
            6     3   6 1
            7    13  14 1
            8     5   4 1
            9     3  15 1
            10    4   1 2
            11   10  16 1
            12    5   6 2
            13    8  17 2
            14    6   7 1
            15   13  18 1
            16    7   8 1
            17   12  19 1 #Down
            18    8   9 1
            19   16  20 1
            20    9  10 2
            21   15  21 1
            22   10   5 1
            23    7  22 1


entry: C10711
name: --- - Lunacrine
formula: C16H19NO3
kcf:
ATOM        20
            1   C8y C     2.8296  -12.6625
            2   C8x C     2.1135  -12.2458
            3   C8x C     2.1135  -11.4167
            4   C8x C     2.8296  -11.0042
            5   C8y C     3.5500  -12.2458
            6   C8y C     3.5500  -11.4167
            7   C8y C     4.2686  -11.0042
            8   N4y N     4.2686  -12.6625
            9   C8y C     4.9873  -12.2458
            10  C8y C     4.9894  -11.4165
            11  C1x C     5.7791  -11.1635
            12  C1y C     6.2623  -11.8366
            13  O2x O     5.7755  -12.5029
            14  C1a C     4.2750  -13.4917
            15  O5x O     4.2750  -10.1750
            16  O2a O     2.8333  -13.4875
            17  C1a C     3.5500  -13.8958
            18  C1c C     7.0917  -11.8333
            19  C1a C     7.5125  -11.1125
            20  C1a C     7.5125  -12.5458
BOND        22
            1     4   6 1
            2     5   1 1
            3     1   2 2
            4     9  10 2
            5    10  11 1
            6    11  12 1
            7    12  13 1
            8    13   9 1
            9     2   3 1
            10    8  14 1
            11    5   6 2
            12    7  15 2
            13    6   7 1
            14    1  16 1
            15    7  10 1
            16   16  17 1
            17    9   8 1
            18   12  18 1 #Down
            19    8   5 1
            20   18  19 1
            21    3   4 2
            22   18  20 1


entry: C10712
name: --- - Paeonol
formula: C9H10O3
kcf:
ATOM        12
            1   C8x C     4.0583  -11.6250
            2   C8x C     4.0583  -12.4542
            3   C8y C     4.7787  -12.8708
            4   C8x C     5.4949  -12.4542
            5   C8y C     5.4949  -11.6250
            6   C8y C     4.7787  -11.2125
            7   C5a C     4.7797  -10.3833
            8   C1a C     5.4989   -9.9676
            9   O5a O     4.0616   -9.9658
            10  O1a O     6.2096  -11.2130
            11  O2a O     4.7797  -13.7000
            12  C1a C     4.0616  -14.1134
BOND        12
            1     6   1 2
            2     6   7 1
            3     1   2 1
            4     7   8 1
            5     2   3 2
            6     7   9 2
            7     3   4 1
            8     5  10 1
            9     4   5 2
            10    3  11 1
            11    5   6 1
            12   11  12 1


entry: C10713
name: --- - Lunamarine
formula: C18H15NO4
kcf:
ATOM        23
            1   C8x C    18.1755  -15.6375
            2   C8x C    17.4635  -15.2250
            3   C8y C    17.4635  -14.3959
            4   C8x C    18.1755  -13.9792
            5   C8y C    18.8958  -15.2250
            6   C8y C    18.8920  -14.3985
            7   O2x O    19.6771  -14.1366
            8   C1x C    20.1676  -14.8038
            9   O2x O    19.6832  -15.4755
            10  C8y C    16.7457  -13.9807
            11  N4y N    16.0274  -14.3979
            12  C8y C    16.0262  -12.7396
            13  C8x C    16.7451  -13.1515
            14  C8y C    15.3079  -13.1526
            15  C8y C    15.3129  -13.9789
            16  C8x C    14.5992  -14.3985
            17  C8y C    13.8805  -13.9876
            18  C8x C    13.8755  -13.1613
            19  C8x C    14.5892  -12.7458
            20  O5x O    16.0333  -11.9084
            21  C1a C    16.0333  -15.2250
            22  O2a O    13.1708  -14.4000
            23  C1a C    12.4583  -13.9917
BOND        26
            1     1   2 1
            2    10  11 1
            3    11  15 1
            4    14  12 1
            5    12  13 1
            6    13  10 2
            7     3  10 1
            8     2   3 2
            9     3   4 1
            10    5   6 1
            11    6   7 1
            12    7   8 1
            13    8   9 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  14 1
            20    9   5 1
            21   12  20 2
            22    4   6 2
            23   11  21 1
            24   17  22 1
            25    5   1 2
            26   22  23 1


entry: C10714
name: --- - Maculine - 1,3-Dioxolo(4,5-g)furo(2,3-b)quinoline, 9-methoxy-
formula: C13H9NO4
kcf:
ATOM        18
            1   C8x C    10.2162   -4.5667
            2   C8x C    10.2162   -2.9167
            3   C8y C    10.9282   -3.3292
            4   C8y C    10.9246   -4.1542
            5   N5x N    11.6373   -4.5697
            6   C8y C    11.6444   -2.9197
            7   C8y C     9.5000   -4.1542
            8   C8y C     9.4981   -3.3289
            9   O2x O     8.7126   -3.0757
            10  C1x C     8.2291   -3.7445
            11  O2x O     8.7157   -4.4110
            12  C8y C    12.3571   -3.3353
            13  C8y C    12.3555   -4.1627
            14  O2x O    13.1421   -4.4199
            15  C8x C    13.6296   -3.7514
            16  C8x C    13.1445   -3.0810
            17  O2a O    11.6458   -2.0958
            18  C1a C    10.9333   -1.6833
BOND        21
            1     7   1 2
            2     1   4 1
            3     3   2 1
            4     7   8 1
            5     8   9 1
            6     9  10 1
            7    10  11 1
            8    11   7 1
            9     3   4 2
            10    4   5 1
            11    5  13 2
            12   12   6 2
            13    6   3 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  12 1
            19    2   8 2
            20    6  17 1
            21   17  18 1


entry: C10715
name: --- - Paeonolide
formula: C20H28O12
kcf:
ATOM        32
            1   C1y C     8.5034   -6.9549
            2   O2x O     7.7931   -6.5354
            3   C1x C     7.0745   -6.9409
            4   C1y C     7.0664   -7.7658
            5   C1y C     7.7768   -8.1853
            6   C1y C     8.4953   -7.7799
            7   C1y C    12.0875   -6.5583
            8   O2x O    11.3709   -6.1458
            9   C1y C    10.6553   -6.5602
            10  C1y C    10.6564   -7.3871
            11  C1y C    11.3731   -7.7996
            12  C1y C    12.0886   -7.3852
            13  C8y C    13.5167   -6.5625
            14  C8x C    13.5167   -7.3875
            15  C8y C    14.2329   -7.8000
            16  C8x C    14.9449   -7.3875
            17  C8x C    14.9449   -6.5625
            18  C8y C    14.2329   -6.1500
            19  O2a O    14.2339   -8.6250
            20  C1a C    14.9489   -9.0366
            21  C5a C    14.2339   -5.3250
            22  C1a C    14.9489   -4.9134
            23  O5a O    13.5200   -4.9116
            24  O2a O    12.8024   -6.1496
            25  C1b C     9.9403   -6.1487
            26  O2a O     9.2230   -6.5548
            27  O1a O     9.9425   -7.8006
            28  O1a O    12.8036   -7.7968
            29  O1a O    11.3742   -8.6246
            30  O1a O     6.3480   -8.1713
            31  O1a O     7.7687   -9.0103
            32  O1a O     9.2057   -8.1994
BOND        34
            1    14  15 2
            2    15  16 1
            3    16  17 2
            4    17  18 1
            5    18  13 2
            6     5   6 1
            7    15  19 1
            8     7   8 1
            9    19  20 1
            10    8   9 1
            11   18  21 1
            12    9  10 1
            13   21  22 1
            14   10  11 1
            15   21  23 2
            16   11  12 1
            17   13  24 1
            18    7  24 1 #Up
            19   12   7 1
            20    9  25 1 #Up
            21    6   1 1
            22   25  26 1
            23    1  26 1 #Up
            24   10  27 1 #Down
            25    1   2 1
            26   12  28 1 #Down
            27    2   3 1
            28   11  29 1 #Up
            29    3   4 1
            30    4  30 1 #Up
            31    4   5 1
            32    5  31 1 #Up
            33   13  14 1
            34    6  32 1 #Down


entry: C10716
name: --- - Maculosidine - Furo(2,3-b)quinoline, 4,6,8-trimethoxy-
formula: C14H13NO4
kcf:
ATOM        19
            1   N5x N    17.1004  -16.1541
            2   C8y C    17.1004  -14.4958
            3   C8y C    16.3843  -14.9083
            4   C8y C    16.3878  -15.7375
            5   C8y C    15.6709  -16.1572
            6   C8x C    14.9505  -15.7436
            7   C8y C    14.9470  -14.9144
            8   C8x C    15.6639  -14.4989
            9   C8y C    17.8208  -15.7375
            10  C8y C    17.8183  -14.9066
            11  C8x C    18.6080  -14.6488
            12  C8x C    19.0958  -15.3204
            13  O2x O    18.6119  -15.9948
            14  O2a O    17.1041  -13.6708
            15  C1a C    16.3875  -13.2541
            16  O2a O    14.2375  -14.5041
            17  C1a C    13.5250  -14.9166
            18  O2a O    15.6750  -16.9750
            19  C1a C    16.3875  -17.3833
BOND        21
            1     9   1 2
            2     1   4 1
            3     3   2 1
            4     2  10 2
            5     9  10 1
            6    10  11 1
            7    11  12 2
            8    12  13 1
            9    13   9 1
            10    3   4 2
            11    2  14 1
            12    4   5 1
            13   14  15 1
            14    5   6 2
            15    7  16 1
            16    6   7 1
            17   16  17 1
            18    7   8 2
            19    5  18 1
            20    8   3 1
            21   18  19 1


entry: C10717
name: --- - Paeonoside
formula: C15H20O8
kcf:
ATOM        23
            1   C1y C     4.9917  -11.6250
            2   O2x O     4.2750  -11.2125
            3   C1y C     3.5594  -11.6269
            4   C1y C     3.5605  -12.4538
            5   C1y C     4.2772  -12.8663
            6   C1y C     4.9928  -12.4519
            7   C8y C     6.4208  -11.6292
            8   C8x C     6.4208  -12.4542
            9   C8y C     7.1370  -12.8667
            10  C8x C     7.8490  -12.4542
            11  C8x C     7.8490  -11.6292
            12  C8y C     7.1370  -11.2167
            13  C5a C     7.1381  -10.3917
            14  C1a C     7.8531   -9.9801
            15  O5a O     6.4241   -9.9783
            16  O2a O     7.1381  -13.6917
            17  C1a C     7.8531  -14.1033
            18  O2a O     5.7066  -11.2163
            19  C1b C     2.8444  -11.2154
            20  O1a O     4.2783  -13.6913
            21  O1a O     2.8466  -12.8673
            22  O1a O     5.7078  -12.8635
            23  O1a O     2.1305  -11.6288
BOND        24
            1    11  12 1
            2    12   7 2
            3     6   1 1
            4    12  13 1
            5    13  14 1
            6     1   2 1
            7    13  15 2
            8     2   3 1
            9     9  16 1
            10    3   4 1
            11   16  17 1
            12    4   5 1
            13    7  18 1
            14    1  18 1 #Up
            15    5   6 1
            16    3  19 1 #Up
            17    7   8 1
            18    5  20 1 #Up
            19    8   9 2
            20    4  21 1 #Down
            21    9  10 1
            22    6  22 1 #Down
            23   10  11 2
            24   19  23 1


entry: C10718
name: --- - Maculosine
formula: C17H17NO6
kcf:
ATOM        24
            1   C8x C    15.5995  -17.3875
            2   C8x C    15.5995  -15.7375
            3   C8y C    16.3116  -16.1500
            4   C8y C    16.3080  -16.9750
            5   N5x N    17.0207  -17.3905
            6   C8y C    17.0278  -15.7406
            7   C8y C    14.8833  -16.9750
            8   C8y C    14.8814  -16.1498
            9   O2x O    14.0960  -15.8965
            10  C1x C    13.6125  -16.5653
            11  O2x O    14.0991  -17.2318
            12  C8y C    17.7404  -16.1561
            13  C8y C    17.7389  -16.9836
            14  O2x O    18.5255  -17.2407
            15  C8x C    19.0130  -16.5722
            16  C8x C    18.5279  -15.9019
            17  O2a O    17.0292  -14.9166
            18  C1b C    16.3167  -14.5042
            19  C1c C    16.3167  -13.6834
            20  C1d C    15.6041  -13.2709
            21  C1a C    15.6041  -12.4500
            22  O1a O    17.0333  -13.2709
            23  C1a C    14.8917  -13.6834
            24  O1a O    14.8917  -12.8541
BOND        27
            1    11   7 1
            2     3   4 2
            3     4   5 1
            4     5  13 2
            5    12   6 2
            6     6   3 1
            7    12  13 1
            8    13  14 1
            9    14  15 1
            10   15  16 2
            11   16  12 1
            12    2   8 2
            13    6  17 1
            14   17  18 1
            15    7   1 2
            16   18  19 1
            17    1   4 1
            18   19  20 1
            19    3   2 1
            20   20  21 1
            21    7   8 1
            22   19  22 1
            23    8   9 1
            24    9  10 1
            25   20  23 1
            26   10  11 1
            27   20  24 1


entry: C10719
name: --- - Nordihydroguaiaretic acid
formula: C18H22O4
kcf:
ATOM        22
            1   C8y C     1.8333  -11.0708
            2   C8y C     1.8333  -11.9000
            3   C8x C     2.5537  -12.3125
            4   C8y C     3.2699  -11.9000
            5   C8x C     3.2699  -11.0708
            6   C8x C     2.5537  -10.6542
            7   C1b C     3.9888  -12.3120
            8   C1c C     4.7071  -11.8989
            9   C1c C     5.4219  -12.3109
            10  C1b C     6.1403  -11.8979
            11  C8y C     6.8592  -12.3098
            12  C8x C     6.8589  -13.1373
            13  C8x C     7.5778  -13.5535
            14  C8y C     8.2961  -13.1363
            15  C8y C     8.2955  -12.3071
            16  C8x C     7.5766  -11.8952
            17  C1a C     4.7065  -11.0698
            18  C1a C     5.4225  -13.1401
            19  O1a O     9.0151  -13.5524
            20  O1a O     1.1149  -10.6538
            21  O1a O     1.1149  -12.3129
            22  O1a O     9.0138  -11.8941
BOND        23
            1    10  11 1
            2     5   6 2
            3     6   1 1
            4     4   7 1
            5     1   2 2
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14  15 1
            10   15  16 2
            11   16  11 1
            12    7   8 1
            13    8  17 1 #Up
            14    2   3 1
            15    9  18 1 #Down
            16    8   9 1
            17   14  19 1
            18    3   4 2
            19    1  20 1
            20    9  10 1
            21    2  21 1
            22    4   5 1
            23   15  22 1


entry: C10720
name: --- - Picein
formula: C14H18O7
kcf:
ATOM        21
            1   C1y C     5.7042  -13.1333
            2   O2x O     4.9875  -12.7208
            3   C1y C     4.2719  -13.1352
            4   C1y C     4.2730  -13.9621
            5   C1y C     4.9897  -14.3746
            6   C1y C     5.7053  -13.9602
            7   C8x C     5.7042  -10.6583
            8   C8x C     5.7042  -11.4833
            9   C8y C     6.4204  -11.8958
            10  C8x C     7.1324  -11.4833
            11  C8x C     7.1324  -10.6583
            12  C8y C     6.4204  -10.2458
            13  C5a C     6.4214   -9.4208
            14  C1a C     7.1364   -9.0092
            15  O5a O     5.7074   -9.0074
            16  O2a O     6.4214  -12.7208
            17  C1b C     3.5569  -12.7237
            18  O1a O     4.9908  -15.1996
            19  O1a O     3.5591  -14.3756
            20  O1a O     6.4203  -14.3718
            21  O1a O     2.8430  -13.1371
BOND        22
            1     9  10 1
            2    10  11 2
            3    11  12 1
            4    12   7 2
            5     6   1 1
            6    12  13 1
            7    13  14 1
            8     1   2 1
            9    13  15 2
            10    2   3 1
            11    9  16 1
            12    1  16 1 #Up
            13    3   4 1
            14    3  17 1 #Up
            15    4   5 1
            16    5  18 1 #Up
            17    5   6 1
            18    4  19 1 #Down
            19    7   8 1
            20    6  20 1 #Down
            21    8   9 2
            22   17  21 1


entry: C10721
name: --- - Rottlerin
formula: C30H28O8
kcf:
ATOM        38
            1   C8y C    15.8291  -22.4000
            2   C8x C    15.8333  -21.5917
            3   C8x C    16.5374  -21.1869
            4   C8x C    17.2373  -21.5947
            5   C8x C    17.2331  -22.4072
            6   C8x C    16.5291  -22.8078
            7   C8y C    13.0375  -22.4000
            8   C8y C    12.3338  -22.8042
            9   C8y C    11.6343  -22.4000
            10  C8y C    11.6343  -21.5917
            11  O1a O    10.9320  -21.1838
            12  C8y C    13.0375  -21.5917
            13  C8y C    12.3318  -21.1868
            14  C2x C    12.3269  -20.3771
            15  C2x C    13.0276  -19.9679
            16  C1z C    13.7292  -20.3686
            17  O2x O    13.7341  -21.1783
            18  O1a O    12.3328  -23.6125
            19  C5a C    13.7333  -22.8042
            20  C2b C    14.4333  -22.4000
            21  C2b C    15.1334  -22.8042
            22  O5a O    13.7333  -23.6125
            23  C1a C    14.4375  -20.7667
            24  C1a C    14.4375  -19.9625
            25  C1b C    10.5791  -22.9459
            26  C8y C     9.5083  -21.6041
            27  C8y C     9.5083  -22.4167
            28  C8y C     8.8047  -22.8208
            29  C8y C     8.1093  -22.4167
            30  C8y C     8.1093  -21.6041
            31  C8y C     8.8047  -21.2000
            32  C1a C     8.8036  -20.3916
            33  O1a O     8.8036  -23.6292
            34  O1a O     7.4071  -21.2006
            35  C5a C     7.4071  -22.8203
            36  O5a O     7.4064  -23.6287
            37  C1a C     6.7053  -22.4156
            38  O1a O    10.2059  -21.1997
BOND        41
            1     7   8 1
            2     7  19 1
            3     8   9 2
            4    19  20 1
            5     9  10 1
            6    20  21 2
            7    21   1 1
            8    10  13 2
            9    19  22 2
            10    4   5 2
            11   16  23 1
            12   10  11 1
            13   16  24 1
            14    5   6 1
            15   25   9 1
            16    6   1 2
            17    1   2 1
            18    2   3 2
            19    3   4 1
            20   12  13 1
            21   26  27 2
            22   27  28 1
            23   28  29 2
            24   29  30 1
            25   30  31 2
            26   31  26 1
            27   13  14 1
            28   31  32 1
            29   14  15 2
            30   28  33 1
            31   15  16 1
            32   30  34 1
            33   16  17 1
            34   29  35 1
            35   17  12 1
            36   35  36 2
            37   12   7 2
            38   35  37 1
            39    8  18 1
            40   26  38 1
            41   25  27 1


entry: C10722
name: --- - Melicopicine
formula: C18H19NO5
kcf:
ATOM        24
            1   C8x C    11.9000   -7.1166
            2   C8x C    11.9000   -7.9458
            3   C8x C    12.6204   -8.3625
            4   C8x C    12.6204   -6.7041
            5   C8y C    13.3366   -7.1166
            6   C8y C    13.3330   -7.9458
            7   N4y N    14.0499   -8.3655
            8   C8y C    14.0570   -6.7072
            9   O5x O    14.0500   -5.8750
            10  C1a C    14.0417   -9.1916
            11  C8y C    14.7738   -7.1227
            12  C8y C    14.7664   -7.9497
            13  C8y C    15.4794   -8.3718
            14  C8y C    16.1957   -7.9626
            15  C8y C    16.2032   -7.1356
            16  C8y C    15.4943   -6.7178
            17  O2a O    15.4875   -5.8875
            18  O2a O    16.9209   -6.7291
            19  C1a C    17.6334   -7.1458
            20  O2a O    16.9042   -8.3833
            21  C1a C    17.6250   -7.9750
            22  O2a O    15.4750   -9.1958
            23  C1a C    14.7542   -9.6000
            24  C1a C    14.7696   -5.4809
BOND        26
            1     1   2 1
            2     2   3 2
            3     3   6 1
            4     5   6 2
            5     6   7 1
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14  15 1
            10   15  16 2
            11   16  11 1
            12    7  12 1
            13   16  17 1
            14   11   8 1
            15   15  18 1
            16    8   5 1
            17   18  19 1
            18    5   4 1
            19   14  20 1
            20    8   9 2
            21   20  21 1
            22    4   1 2
            23    7  10 1
            24   13  22 1
            25   22  23 1
            26   17  24 1


entry: C10723
name: --- - Tricyclodehydroisohumulone
formula: C21H28O5
kcf:
ATOM        26
            1   C1x C     4.1234  -11.5242
            2   C1y C     3.4541  -11.0375
            3   C1z C     2.7849  -11.5242
            4   C1y C     3.0399  -12.3059
            5   C1x C     2.7820  -13.0914
            6   C5x C     3.4495  -13.5792
            7   C1z C     3.8666  -12.3084
            8   C1z C     4.1167  -13.0980
            9   C2y C     4.9450  -13.1042
            10  C2y C     5.2067  -12.3184
            11  C5x C     4.5403  -11.8265
            12  O1a O     4.3495  -13.8895
            13  O1a O     5.4249  -13.7752
            14  O5x O     3.4469  -14.4042
            15  C1a C     2.0667  -11.9292
            16  C1a C     2.0667  -11.1083
            17  C2c C     3.4541  -10.2125
            18  C2a C     4.1686   -9.8000
            19  C1a C     2.7396   -9.8000
            20  O5x O     4.5465  -11.0016
            21  C5a C     5.9167  -11.9042
            22  C1b C     6.6292  -12.3167
            23  C1c C     7.3417  -11.9042
            24  C1a C     8.0542  -12.3167
            25  O5a O     5.9153  -11.0792
            26  C1a C     7.3417  -11.0792
BOND        28
            1     4   5 1
            2     9  13 1
            3     5   6 1
            4     6  14 2
            5     6   8 1
            6     3  15 1
            7     2   3 1
            8     3  16 1
            9     3   4 1
            10    2  17 1 #Up
            11    7   1 1 #Down
            12   17  18 2
            13    1   2 1
            14   17  19 1
            15    7   8 1
            16   11  20 2
            17    8   9 1
            18   10  21 1
            19    9  10 2
            20   21  22 1
            21   10  11 1
            22   22  23 1
            23   11   7 1
            24   23  24 1
            25    7   4 1
            26   21  25 2
            27    8  12 1 #Down
            28   23  26 1


entry: C10724
name: --- - Melicopine - 4,5-Dimethoxy-methyl-1,3-dioxolo(4,5-c)acridin-6(11H)-one
formula: C17H15NO5
kcf:
ATOM        23
            1   C8y C    15.7378   -7.6886
            2   C8y C    15.0002   -7.3117
            3   C8y C    14.3527   -8.5946
            4   C8y C    14.3111   -7.7664
            5   C8y C    13.5726   -7.3863
            6   N4y N    13.6557   -9.0425
            7   C8y C    12.9172   -8.6665
            8   C8y C    12.8797   -7.8403
            9   C8x C    12.1449   -7.4576
            10  C8x C    11.4476   -7.9053
            11  C8x C    11.4851   -8.7315
            12  C8x C    12.2199   -9.1100
            13  C8y C    15.7829   -8.5165
            14  C8y C    15.0872   -8.9660
            15  O2x O    15.2997   -9.7709
            16  C1x C    16.1309   -9.8160
            17  O2x O    16.4296   -9.0393
            18  O2a O    15.0083   -6.4833
            19  O5x O    13.5791   -6.5583
            20  C1a C    13.6625   -9.8750
            21  O2a O    16.4541   -7.2708
            22  C1a C    17.1708   -7.6791
            23  C1a C    14.2979   -6.0639
BOND        26
            1     8   9 1
            2     9  10 2
            3    10  11 1
            4    11  12 2
            5    12   7 1
            6     4   5 1
            7     5   8 1
            8     7   6 1
            9     6   3 1
            10    3  14 1
            11   13  14 2
            12   14  15 1
            13   15  16 1
            14   16  17 1
            15   17  13 1
            16    2  18 1
            17   13   1 1
            18    5  19 2
            19    1   2 2
            20    6  20 1
            21    2   4 1
            22    1  21 1
            23    3   4 2
            24   21  22 1
            25    7   8 2
            26   18  23 1


entry: C10725
name: --- - Nortrachelogenin
formula: C20H22O7
kcf:
ATOM        27
            1   C8x C    15.3500   -8.8625
            2   C8y C    15.3500   -9.6917
            3   C8x C    16.0704  -10.1083
            4   C8x C    16.7865   -9.6917
            5   C8y C    16.7865   -8.8625
            6   C8y C    16.0704   -8.4500
            7   C1z C    14.0230   -9.6357
            8   C7x C    14.2798   -8.8474
            9   O7x O    13.6064   -8.3607
            10  C1x C    12.9330   -8.8474
            11  C1y C    13.1939   -9.6357
            12  C1b C    12.5972  -10.1411
            13  C8y C    10.4000   -8.8542
            14  C8x C    10.4000   -9.6834
            15  C8x C    11.1204  -10.1000
            16  C8y C    11.8365   -9.6834
            17  C8x C    11.8365   -8.8542
            18  C8y C    11.1204   -8.4417
            19  C1b C    14.6780  -10.1162
            20  O7x O    14.9315   -8.3977
            21  O2a O    11.1215   -7.6125
            22  O1a O     9.6816   -8.4413
            23  O2a O    16.0715   -7.6208
            24  O1a O    17.5055   -8.4506
            25  C1a C    16.7906   -7.2051
            26  O1a O    14.8492   -9.3173
            27  C1a C    10.4075   -7.1990
BOND        29
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4    13  14 2
            5    14  15 1
            6    15  16 2
            7    16  17 1
            8    17  18 2
            9    18  13 1
            10   16  12 1
            11    7   8 1
            12    7  19 1 #Down
            13   19   2 1
            14    8   9 1
            15    8  20 2
            16    9  10 1
            17   18  21 1
            18   10  11 1
            19   13  22 1
            20   11   7 1
            21    5   6 2
            22    6  23 1
            23   11  12 1 #Up
            24    5  24 1
            25    6   1 1
            26   23  25 1
            27    7  26 1 #Up
            28    1   2 2
            29   21  27 1


entry: C10726
name: --- - Xanthoxylin
formula: C10H12O4
kcf:
ATOM        14
            1   C8y C     9.2292  -10.1500
            2   C8x C     9.2292  -10.9792
            3   C8y C     9.9495  -11.3958
            4   C8x C    10.6615  -10.9792
            5   C8y C    10.6615  -10.1500
            6   C8y C     9.9495   -9.7375
            7   C5a C     9.9506   -8.9083
            8   C1a C    10.6656   -8.4926
            9   O5a O     9.2324   -8.4908
            10  O1a O    11.3805   -9.7380
            11  O2a O     8.5107   -9.7371
            12  C1a C     7.7919  -10.1493
            13  O2a O     9.9506  -12.2250
            14  C1a C     9.2367  -12.6384
BOND        14
            1     6   7 1
            2     1   2 1
            3     7   8 1
            4     2   3 2
            5     7   9 2
            6     3   4 1
            7     5  10 1
            8     4   5 2
            9     1  11 1
            10    5   6 1
            11   11  12 1
            12    6   1 2
            13    3  13 1
            14   13  14 1


entry: C10727
name: --- - Melochinone
formula: C22H21NO2
kcf:
ATOM        25
            1   C8y C     2.6375  -12.2750
            2   C8x C     2.6417  -13.1042
            3   C8x C     1.9251  -13.5244
            4   C8x C     1.2044  -13.1114
            5   C8x C     1.2002  -12.2822
            6   C8x C     1.9168  -11.8661
            7   C8y C     6.9917  -12.1583
            8   C8y C     6.9917  -12.9875
            9   N4x N     6.2713  -13.4042
            10  C8y C     6.2713  -11.7417
            11  C8y C     5.5593  -12.1583
            12  C8y C     5.5628  -12.9875
            13  C8x C     4.8460  -13.4072
            14  C8x C     4.1256  -12.9936
            15  O2a O     7.7083  -11.7417
            16  C1a C     8.4250  -12.1542
            17  C1a C     7.7083  -13.4042
            18  O5x O     6.2792  -10.9125
            19  C8y C     4.1270  -12.1634
            20  C8y C     4.8389  -11.7447
            21  C1x C     4.9597  -10.9236
            22  C2y C     3.3530  -11.8645
            23  C1x C     4.3966  -10.3200
            24  C2x C     3.1076  -11.0723
            25  C1x C     3.5723  -10.3866
BOND        28
            1    11  12 2
            2    12  13 1
            3    13  14 2
            4    14  19 1
            5    20  11 1
            6     1   2 1
            7     7  15 1
            8     2   3 2
            9    15  16 1
            10    3   4 1
            11    8  17 1
            12    7   8 2
            13   10  18 2
            14    8   9 1
            15    9  12 1
            16   19  20 2
            17   11  10 1
            18   20  21 1
            19   10   7 1
            20   19  22 1
            21    4   5 2
            22   21  23 1
            23    5   6 1
            24   22  24 2
            25    6   1 2
            26   23  25 1
            27   24  25 1
            28   22   1 1


entry: C10728
name: --- - Otobain
formula: C20H20O4
kcf:
ATOM        24
            1   C8x C     3.5750  -10.2459
            2   C8x C     4.2954   -9.8292
            3   C8y C     5.0115  -10.2459
            4   C8y C     5.0080  -11.0750
            5   C1y C     5.7249  -11.4906
            6   C1y C     6.4453  -11.0811
            7   C1y C     6.4488  -10.2520
            8   C1x C     5.7319   -9.8323
            9   C8y C     4.2954  -11.4875
            10  C8y C     3.5793  -11.0730
            11  O2x O     2.9608  -11.6221
            12  C1x C     3.2974  -12.3800
            13  O2x O     4.1212  -12.2969
            14  C8y C     5.7214  -12.3197
            15  C1a C     7.1692   -9.8384
            16  C1a C     7.1849  -11.4204
            17  C8x C     5.0036  -12.7312
            18  C8x C     5.0000  -13.5603
            19  C8x C     6.4408  -12.7373
            20  C8y C     6.4373  -13.5665
            21  C8y C     5.7138  -13.9755
            22  O2x O     5.8805  -14.7902
            23  C1x C     6.7070  -14.8820
            24  O2x O     7.0486  -14.1242
BOND        28
            1    12  13 1
            2    13   9 1
            3     3   4 2
            4     5  14 1 #Down
            5     4   5 1
            6     7  15 1 #Down
            7     5   6 1
            8     6   7 1
            9     6  16 1 #Up
            10    7   8 1
            11    8   3 1
            12    1  10 1
            13    9   4 1
            14    3   2 1
            15   14  17 1
            16   17  18 2
            17   18  21 1
            18   20  19 1
            19   19  14 2
            20    2   1 2
            21    9  10 2
            22   10  11 1
            23   11  12 1
            24   20  21 2
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  20 1


entry: C10729
name: --- - alpha-Peltatin
formula: C21H20O8
kcf:
ATOM        29
            1   C8x C     4.2746  -11.6875
            2   C8y C     4.2746  -10.0291
            3   C8y C     4.9907  -10.4458
            4   C8y C     4.9872  -11.2750
            5   C1y C     5.7041  -11.6905
            6   C1x C     5.7111  -10.0322
            7   C1y C     6.4280  -10.4519
            8   C1y C     6.4264  -11.2835
            9   C7x C     7.2171  -11.5407
            10  O7x O     7.7046  -10.8680
            11  C1x C     7.2196  -10.1977
            12  C8y C     3.5542  -11.2750
            13  C8y C     3.5581  -10.4485
            14  O2x O     2.7730  -10.1907
            15  C1x C     2.2866  -10.8538
            16  O2x O     2.7668  -11.5254
            17  C8y C     5.6990  -12.5196
            18  C8x C     4.9790  -12.9273
            19  C8y C     4.9739  -13.7564
            20  C8y C     5.6900  -14.1733
            21  C8y C     6.4112  -13.7652
            22  C8x C     6.4163  -12.9361
            23  O2a O     7.1231  -14.1821
            24  O1a O     5.6849  -15.0025
            25  O2a O     4.2527  -14.1645
            26  C1a C     7.8442  -13.7741
            27  C1a C     3.5367  -13.7476
            28  O1a O     4.2735   -9.2000
            29  O7x O     7.4706  -12.3300
BOND        33
            1    13  14 1
            2    14  15 1
            3    15  16 1
            4    16  12 1
            5     2  13 2
            6     5  17 1 #Down
            7    12   1 2
            8     1   4 1
            9     3   2 1
            10    7   8 1
            11   17  18 2
            12   18  19 1
            13   19  20 2
            14   20  21 1
            15   21  22 2
            16   22  17 1
            17    8   9 1
            18   21  23 1
            19    9  10 1
            20   20  24 1
            21   10  11 1
            22   19  25 1
            23   11   7 1
            24   23  26 1
            25    3   4 2
            26   25  27 1
            27    4   5 1
            28    2  28 1
            29    5   8 1
            30    9  29 2
            31    7   6 1
            32    6   3 1
            33   12  13 1


entry: C10730
name: --- - beta-Peltatin A methyl ether
formula: C23H24O8
kcf:
ATOM        31
            1   C8x C     4.2745  -11.7500
            2   C8y C     4.2745  -10.0916
            3   C8y C     4.9907  -10.5083
            4   C8y C     4.9872  -11.3375
            5   C1y C     5.7040  -11.7530
            6   C1x C     5.7111  -10.0947
            7   C1y C     6.4280  -10.5144
            8   C1y C     6.4264  -11.3460
            9   C7x C     7.2171  -11.6032
            10  O7x O     7.7046  -10.9305
            11  C1x C     7.2195  -10.2602
            12  C8y C     3.5542  -11.3375
            13  C8y C     3.5580  -10.5110
            14  O2x O     2.7729  -10.2532
            15  C1x C     2.2866  -10.9163
            16  O2x O     2.7668  -11.5879
            17  C8y C     5.6990  -12.5821
            18  C8x C     4.9790  -12.9898
            19  C8y C     4.9739  -13.8189
            20  C8y C     5.6900  -14.2358
            21  C8y C     6.4111  -13.8277
            22  C8x C     6.4162  -12.9986
            23  O2a O     7.1230  -14.2446
            24  O2a O     5.6849  -15.0650
            25  O2a O     4.2527  -14.2270
            26  C1a C     7.8442  -13.8366
            27  C1a C     3.5366  -13.8101
            28  O2a O     4.2734   -9.2625
            29  O7x O     7.4706  -12.3925
            30  C1a C     4.9874   -8.8490
            31  C1a C     6.3968  -15.4819
BOND        35
            1    15  16 1
            2    16  12 1
            3     2  13 2
            4     5  17 1 #Down
            5    12   1 2
            6     1   4 1
            7     3   2 1
            8     7   8 1
            9    17  18 2
            10   18  19 1
            11   19  20 2
            12   20  21 1
            13   21  22 2
            14   22  17 1
            15    8   9 1
            16   21  23 1
            17    9  10 1
            18   20  24 1
            19   10  11 1
            20   19  25 1
            21   11   7 1
            22   23  26 1
            23    3   4 2
            24   25  27 1
            25    4   5 1
            26    2  28 1
            27    5   8 1
            28    9  29 2
            29    7   6 1
            30    6   3 1
            31   12  13 1
            32   13  14 1
            33   28  30 1
            34   14  15 1
            35   24  31 1


entry: C10731
name: --- - N-Methylflindersine
formula: C15H15NO2
kcf:
ATOM        18
            1   C8x C     3.2417  -11.7750
            2   C8x C     3.2417  -12.6042
            3   C8x C     3.9579  -13.0167
            4   C8x C     3.9579  -11.3583
            5   C8y C     4.6740  -11.7750
            6   C8y C     4.6705  -12.6042
            7   N4y N     5.3874  -13.0197
            8   C8y C     6.1078  -12.6103
            9   C8y C     5.3944  -11.3614
            10  C8y C     6.1078  -11.7828
            11  C2x C     6.8279  -11.3731
            12  C2x C     6.8347  -10.5461
            13  C1z C     6.1213  -10.1288
            14  O2x O     5.4012  -10.5344
            15  O5x O     6.8208  -13.0208
            16  C1a C     5.3792  -13.8458
            17  C1a C     6.8375   -9.7042
            18  C1a C     5.4000   -9.7083
BOND        20
            1     9   5 1
            2     5   4 1
            3     4   1 2
            4     1   2 1
            5     2   3 2
            6     3   6 1
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10   12  13 1
            11   13  14 1
            12   14   9 1
            13    5   6 2
            14    8  15 2
            15    6   7 1
            16    7  16 1
            17    7   8 1
            18   13  17 1
            19    8  10 1
            20   13  18 1


entry: C10732
name: --- - O-Methylptelefolonium
formula: C18H22NO4
kcf:
ATOM        23
            1   N5y N     5.2338  -12.8708 #+
            2   C8y C     5.2338  -11.2125
            3   C8y C     4.5176  -11.6250
            4   C8y C     4.5212  -12.4542
            5   C8y C     3.8043  -12.8739
            6   C8x C     3.0881  -12.4603
            7   C8y C     3.0845  -11.6311
            8   C8x C     3.7972  -11.2156
            9   C8y C     5.9542  -12.4542
            10  C8y C     5.9561  -11.6247
            11  C1x C     6.7457  -11.3715
            12  C1y C     7.2333  -12.0445
            13  O2x O     6.7426  -12.7152
            14  O2a O     3.8083  -13.6958
            15  C1a C     4.5250  -14.1042
            16  O2a O     5.2375  -10.3875
            17  C1a C     4.5208   -9.9708
            18  C1a C     5.2417  -13.7000
            19  O2a O     2.3708  -11.2167
            20  C1a C     1.6542  -11.6292
            21  C2c C     8.0583  -12.0417
            22  C1a C     8.4708  -12.7583
            23  C2a C     8.4750  -11.3208
BOND        25
            1     9  10 1
            2    10  11 1
            3    11  12 1
            4    12  13 1
            5    13   9 1
            6     3   4 2
            7     5  14 1
            8     4   5 1
            9    14  15 1
            10    5   6 2
            11    2  16 1
            12    6   7 1
            13   16  17 1
            14    7   8 2
            15    1  18 1
            16    8   3 1
            17    7  19 1
            18    9   1 2
            19   19  20 1
            20    1   4 1
            21   12  21 1
            22    3   2 1
            23   21  22 1
            24    2  10 2
            25   21  23 2


entry: C10733
name: --- - Peganine - Vasicine
formula: C11H12N2O
kcf:
ATOM        14
            1   N2x N     5.0046  -12.6292
            2   C1x C     5.0046  -10.9708
            3   C8y C     4.2885  -11.3833
            4   C8y C     4.2920  -12.2125
            5   C8x C     3.5751  -12.6322
            6   C8x C     2.8547  -12.2186
            7   C8x C     2.8512  -11.3894
            8   C8x C     3.5681  -10.9739
            9   C2y C     5.7250  -12.2125
            10  N1y N     5.7269  -11.3831
            11  C1x C     6.5166  -11.1298
            12  C1x C     7.0000  -11.8028
            13  C1y C     6.5134  -12.4694
            14  O1a O     6.9208  -13.1833
BOND        16
            1     4   5 1
            2     5   6 2
            3     6   7 1
            4     7   8 2
            5     8   3 1
            6     9   1 2
            7     1   4 1
            8     3   2 1
            9     2  10 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13   9 1
            15    3   4 2
            16   13  14 1 #Up


entry: C10734
name: --- - Pteleatine
formula: C16H20NO4
kcf:
ATOM        21
            1   C1d C     6.9583  -12.2417
            2   C1a C     7.3750  -12.9583
            3   N5y N     4.1380  -13.0708 #+
            4   C8y C     4.1380  -11.4125
            5   C8y C     3.4218  -11.8292
            6   C8y C     3.4253  -12.6583
            7   C8y C     2.7085  -13.0739
            8   C8x C     1.9881  -12.6644
            9   C8x C     1.9845  -11.8353
            10  C8x C     2.7014  -11.4156
            11  C8y C     4.8583  -12.6583
            12  C8y C     4.8588  -11.8332
            13  C1x C     5.6439  -11.5758
            14  C1y C     6.1259  -12.2445
            15  O2x O     5.6431  -12.9125
            16  O1a O     2.7167  -13.9000
            17  C1a C     4.1458  -13.9000
            18  O2a O     4.1417  -10.5875
            19  C1a C     3.4250  -10.1750
            20  C1a C     7.3792  -11.5208
            21  O1a O     7.7875  -12.2375
BOND        23
            1     1   2 1
            2    11   3 2
            3     3   6 1
            4     5   4 1
            5    11  12 1
            6    12  13 1
            7    13  14 1
            8    14  15 1
            9    15  11 1
            10   14   1 1 #Down
            11    4  12 2
            12    5   6 2
            13    7  16 1
            14    6   7 1
            15    3  17 1
            16    7   8 2
            17    4  18 1
            18    8   9 1
            19   18  19 1
            20    9  10 2
            21    1  20 1
            22   10   5 1
            23    1  21 1


entry: C10735
name: --- - Ribalinium
formula: C16H20NO4
kcf:
ATOM        21
            1   C1d C     7.4917  -12.2417
            2   C1a C     7.9042  -12.9583
            3   N5y N     4.6713  -13.0708 #+
            4   C8y C     4.6713  -11.4125
            5   C8y C     3.9551  -11.8292
            6   C8y C     3.9587  -12.6583
            7   C8x C     3.2418  -13.0739
            8   C8x C     2.5214  -12.6644
            9   C8y C     2.5179  -11.8353
            10  C8x C     3.2347  -11.4156
            11  C8y C     5.3875  -12.6583
            12  C8y C     5.3880  -11.8332
            13  C1x C     6.1731  -11.5758
            14  C1y C     6.6593  -12.2445
            15  O2x O     6.1722  -12.9125
            16  C1a C     4.6792  -13.9000
            17  O2a O     4.6750  -10.5875
            18  C1a C     3.9583  -10.1750
            19  C1a C     7.9083  -11.5208
            20  O1a O     8.3208  -12.2375
            21  O1a O     1.8042  -11.4125
BOND        23
            1     1   2 1
            2    11   3 2
            3     3   6 1
            4     5   4 1
            5    11  12 1
            6    12  13 1
            7    13  14 1
            8    14  15 1
            9    15  11 1
            10   14   1 1 #Down
            11    4  12 2
            12    5   6 2
            13    3  16 1
            14    6   7 1
            15    4  17 1
            16    7   8 2
            17   17  18 1
            18    8   9 1
            19    1  19 1
            20    9  10 2
            21    1  20 1
            22   10   5 1
            23    9  21 1


entry: C10736
name: --- - Robustine - Furo(2,3-b)quinolin-8-ol, 4-methoxy-
formula: C12H9NO3
kcf:
ATOM        16
            1   N5x N    16.3880  -15.5375
            2   C8y C    16.3880  -13.8834
            3   C8y C    15.6760  -14.2959
            4   C8y C    15.6795  -15.1250
            5   C8y C    14.9668  -15.5406
            6   C8x C    14.2464  -15.1311
            7   C8x C    14.2429  -14.3020
            8   C8x C    14.9597  -13.8864
            9   C8y C    17.1083  -15.1250
            10  C8y C    17.1102  -14.2956
            11  C8x C    17.8957  -14.0424
            12  C8x C    18.3833  -14.7154
            13  O2x O    17.8926  -15.3819
            14  O1a O    14.9708  -16.3625
            15  O2a O    16.3917  -13.0625
            16  C1a C    15.6792  -12.6459
BOND        18
            1     6   7 1
            2     7   8 2
            3     8   3 1
            4     9   1 2
            5     1   4 1
            6     3   2 1
            7     2  10 2
            8     9  10 1
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13   9 1
            13    3   4 2
            14    5  14 1
            15    4   5 1
            16    2  15 1
            17    5   6 2
            18   15  16 1


entry: C10737
name: --- - Phrymarolin I
formula: C24H24O11
kcf:
ATOM        35
            1   C7a C     6.6458  -12.7667
            2   C1a C     7.3603  -12.3542
            3   O7a O     5.8981  -12.3833
            4   O7a O     6.6458  -13.5916
            5   C1y C     5.3771  -11.5915
            6   O2x O     4.7036  -11.1047
            7   C1x C     4.0343  -11.5915
            8   C1z C     5.1161  -12.3756
            9   C1y C     4.2951  -12.3761
            10  C1y C     4.0418  -13.1571
            11  O2x O     4.7063  -13.6391
            12  C1x C     5.3744  -13.1563
            13  C8y C     3.3199  -13.5875
            14  C8x C     2.6079  -14.8250
            15  C8y C     3.3199  -14.4125
            16  C8x C     2.6079  -13.1750
            17  C8y C     1.8916  -14.4125
            18  C8y C     1.8955  -13.5901
            19  O2x O     1.1146  -13.3324
            20  C1x C     0.6283  -13.9954
            21  O2x O     1.1085  -14.6630
            22  O2a O     4.0346  -14.8245
            23  C1a C     4.7488  -14.4114
            24  O2a O     6.0996  -11.0334
            25  C8y C     6.8125   -9.7958
            26  C8y C     6.8125  -10.6209
            27  C8x C     7.5287  -11.0333
            28  C8x C     7.5287   -9.3833
            29  C8y C     8.2407   -9.7958
            30  C8y C     8.2402  -10.6171
            31  O2x O     9.0211  -10.8714
            32  C1x C     9.5083  -10.2073
            33  O2x O     9.0219   -9.5425
            34  O2a O     6.0983   -9.3830
            35  C1a C     5.3878   -9.7951
BOND        40
            1     8   5 1
            2     8   9 1
            3    17  18 2
            4    18  19 1
            5    19  20 1
            6    20  21 1
            7    21  17 1
            8     8   3 1 #Down
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   15  22 1
            13   12   8 1
            14   22  23 1
            15    5   6 1
            16    5  24 1 #Up
            17   10  13 1 #Down
            18    6   7 1
            19    7   9 1
            20    1   4 2
            21   25  26 1
            22   26  27 2
            23   27  30 1
            24   29  28 1
            25   28  25 2
            26   17  14 1
            27   14  15 2
            28   15  13 1
            29   13  16 2
            30   16  18 1
            31   29  30 2
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   33  29 1
            36   26  24 1
            37   25  34 1
            38    1   3 1
            39   34  35 1
            40    1   2 1


entry: C10738
name: --- - Rutacridone
formula: C19H17NO3
kcf:
ATOM        23
            1   C8x C     6.0462  -10.9553
            2   C8y C     5.3044  -10.5784
            3   C8y C     4.6610  -11.8613
            4   C8y C     4.6153  -11.0331
            5   C8y C     3.8810  -10.6530
            6   N4y N     3.9641  -12.3092
            7   C8y C     3.2256  -11.9332
            8   C8y C     3.1881  -11.1070
            9   C8x C     2.4533  -10.7243
            10  C8x C     1.7560  -11.1720
            11  C8x C     1.7935  -11.9982
            12  C8x C     2.5283  -12.3767
            13  C8y C     6.0913  -11.7832
            14  C8y C     5.3914  -12.2327
            15  C1x C     5.6081  -13.0376
            16  C1y C     6.4393  -13.0827
            17  O2x O     6.7380  -12.3060
            18  O1a O     5.3125   -9.7500
            19  O5x O     3.8875   -9.8250
            20  C1a C     3.9708  -13.1417
            21  C2c C     7.1542  -13.4958
            22  C1a C     7.8667  -13.0792
            23  C2a C     7.1500  -14.3250
BOND        26
            1     9  10 2
            2    10  11 1
            3    11  12 2
            4    12   7 1
            5     4   5 1
            6     5   8 1
            7     7   6 1
            8     6   3 1
            9     3  14 1
            10   13  14 2
            11   14  15 1
            12   15  16 1
            13   16  17 1
            14   17  13 1
            15    2  18 1
            16   13   1 1
            17    5  19 2
            18    1   2 2
            19    6  20 1
            20    2   4 1
            21   16  21 1
            22    3   4 2
            23   21  22 1
            24    7   8 2
            25   21  23 2
            26    8   9 1


entry: C10739
name: --- - Rutacridone epoxide
formula: C19H17NO4
kcf:
ATOM        24
            1   C1x C     6.8958  -14.3333
            2   O2x O     7.7250  -14.3333
            3   C1z C     7.3083  -13.6125
            4   C8x C     6.2004  -11.0720
            5   C8y C     5.4586  -10.6950
            6   C8y C     4.8152  -11.9779
            7   C8y C     4.7737  -11.1498
            8   C8y C     4.0352  -10.7696
            9   N4y N     4.1183  -12.4259
            10  C8y C     3.3798  -12.0499
            11  C8y C     3.3422  -11.2237
            12  C8x C     2.6074  -10.8410
            13  C8x C     1.9101  -11.2887
            14  C8x C     1.9476  -12.1149
            15  C8x C     2.6825  -12.4934
            16  C8y C     6.2454  -11.8999
            17  C8y C     5.5497  -12.3494
            18  C1x C     5.7622  -13.1542
            19  C1y C     6.5935  -13.1994
            20  O2x O     6.8921  -12.4226
            21  O1a O     5.4667   -9.8667
            22  O5x O     4.0417   -9.9417
            23  C1a C     4.1250  -13.2583
            24  C1a C     7.7167  -12.8917
BOND        28
            1     6  17 1
            2     1   3 1
            3     3   2 1
            4    10  11 2
            5    11  12 1
            6    12  13 2
            7    13  14 1
            8    14  15 2
            9    15  10 1
            10    1   2 1
            11    6   7 2
            12    7   8 1
            13    8  11 1
            14   16  17 2
            15   17  18 1
            16   18  19 1
            17   19  20 1
            18   20  16 1
            19   10   9 1
            20    5  21 1
            21    9   6 1
            22    8  22 2
            23   16   4 1
            24    9  23 1
            25   19   3 1
            26    4   5 2
            27    5   7 1
            28    3  24 1 #Either


entry: C10740
name: --- - Skimmianine
formula: C14H13NO4
kcf:
ATOM        19
            1   N5x N    17.1005  -15.0041
            2   C8y C    17.1005  -13.3458
            3   C8y C    16.3843  -13.7583
            4   C8y C    16.3878  -14.5875
            5   C8y C    15.6751  -15.0072
            6   C8y C    14.9547  -14.5936
            7   C8x C    14.9512  -13.7644
            8   C8x C    15.6681  -13.3489
            9   C8y C    17.8208  -14.5875
            10  C8y C    17.8227  -13.7580
            11  C8x C    18.6124  -13.5048
            12  C8x C    19.1000  -14.1778
            13  O2x O    18.6093  -14.8485
            14  O2a O    15.6792  -15.8291
            15  C1a C    16.3917  -16.2375
            16  O2a O    17.1042  -12.5208
            17  C1a C    16.3875  -12.1041
            18  O2a O    14.2417  -15.0041
            19  C1a C    13.5250  -14.5875
BOND        21
            1     9   1 2
            2     1   4 1
            3     3   2 1
            4     2  10 2
            5     9  10 1
            6    10  11 1
            7    11  12 2
            8    12  13 1
            9    13   9 1
            10    3   4 2
            11    5  14 1
            12    4   5 1
            13   14  15 1
            14    5   6 2
            15    2  16 1
            16    6   7 1
            17   16  17 1
            18    7   8 2
            19    6  18 1
            20    8   3 1
            21   18  19 1


entry: C10741
name: --- - Swietenidin B
formula: C11H11NO3
kcf:
ATOM        15
            1   C8x C     2.6625  -12.0917
            2   C8x C     2.6625  -12.9208
            3   C8x C     3.3829  -13.3333
            4   C8x C     3.3829  -11.6750
            5   C8y C     4.0990  -12.0917
            6   C8y C     4.0955  -12.9208
            7   N4x N     4.8124  -13.3364
            8   C8y C     5.5328  -12.9269
            9   C8y C     5.5363  -12.0978
            10  C8y C     4.8194  -11.6781
            11  O2a O     4.8125  -10.8458
            12  C1a C     5.5292  -10.4292
            13  O2a O     6.2458  -11.6833
            14  C1a C     6.9625  -12.1000
            15  O5x O     6.2417  -13.3375
BOND        16
            1     4   1 2
            2     5   6 2
            3     6   7 1
            4     7   8 1
            5     8   9 1
            6     9  10 2
            7    10   5 1
            8    10  11 1
            9     1   2 1
            10   11  12 1
            11    2   3 2
            12    9  13 1
            13    3   6 1
            14   13  14 1
            15    5   4 1
            16    8  15 2


entry: C10742
name: --- - Tryptanthrine
formula: C15H8N2O2
kcf:
ATOM        19
            1   C8x C     2.4125  -11.8125
            2   C8x C     2.4125  -12.6375
            3   C8x C     3.1287  -13.0500
            4   C8x C     3.1287  -11.4000
            5   C8y C     3.8407  -11.8125
            6   C8y C     3.8372  -12.6375
            7   N5x N     4.5499  -13.0530
            8   C8y C     4.5569  -11.4031
            9   O5x O     4.5500  -10.5750
            10  N4y N     5.2696  -11.8186
            11  C8y C     5.2637  -12.6475
            12  C5x C     6.0502  -12.9093
            13  C8y C     6.0597  -11.5681
            14  C8y C     6.5414  -12.2420
            15  C8x C     7.3658  -12.1618
            16  C8x C     7.7085  -11.4078
            17  C8x C     7.2269  -10.7339
            18  C8x C     6.4025  -10.8141
            19  O5x O     6.4583  -13.6208
BOND        22
            1     5   4 1
            2     8   9 2
            3     4   1 2
            4     1   2 1
            5    10  11 1
            6    11  12 1
            7    12  14 1
            8    13  10 1
            9     2   3 2
            10    3   6 1
            11    5   6 2
            12    6   7 1
            13    7  11 2
            14   10   8 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  13 1
            21    8   5 1
            22   12  19 2


entry: C10743
name: --- - Vasicinol - Pyrrolo(2,1-b)quinazoline-3,7-diol, 1,2,3,9-tetrahydro-, (R)-
formula: C11H12N2O2
kcf:
ATOM        15
            1   C8y C     3.4917  -11.3625
            2   C8x C     3.4917  -12.1875
            3   C8x C     4.2079  -12.6000
            4   C8x C     4.2079  -10.9500
            5   C8y C     4.9199  -11.3625
            6   C8y C     4.9163  -12.1875
            7   N2x N     5.6290  -12.6030
            8   C1x C     5.6361  -10.9531
            9   N1y N     6.3488  -11.3686
            10  C2y C     6.3472  -12.1961
            11  C1y C     7.1338  -12.4533
            12  C1x C     7.6213  -11.7847
            13  C1x C     7.1362  -11.1144
            14  O1a O     2.7750  -10.9500
            15  O1a O     7.3458  -13.2458
BOND        17
            1     6   7 1
            2     7  10 2
            3     9   8 1
            4     8   5 1
            5     5   4 1
            6     4   1 2
            7     1   2 1
            8     2   3 2
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13   9 1
            14    3   6 1
            15    1  14 1
            16    5   6 2
            17   11  15 1 #Down


entry: C10744
name: --- - Vasicinone
formula: C11H10N2O2
kcf:
ATOM        15
            1   C8x C     2.9583  -11.7750
            2   C8x C     2.9583  -12.6000
            3   C8x C     3.6745  -13.0125
            4   C8x C     3.6745  -11.3625
            5   C8y C     4.3865  -11.7750
            6   C8y C     4.3830  -12.6000
            7   N5x N     5.0957  -13.0155
            8   C8y C     5.1028  -11.3656
            9   N4y N     5.8155  -11.7811
            10  C8y C     5.8139  -12.6086
            11  C1y C     6.6004  -12.8658
            12  C1x C     7.0879  -12.1972
            13  C1x C     6.6029  -11.5269
            14  O1a O     6.8125  -13.6583
            15  O5x O     5.0958  -10.5375
BOND        17
            1     6   7 1
            2     7  10 2
            3     9   8 1
            4     8   5 1
            5     5   4 1
            6     4   1 2
            7     1   2 1
            8     2   3 2
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13   9 1
            14    3   6 1
            15   11  14 1 #Down
            16    5   6 2
            17    8  15 2


entry: C10745
name: --- - Veprisinium - Veprisinium salt
formula: C18H24NO5
kcf:
ATOM        24
            1   C1d C     7.9167  -12.0417
            2   C1a C     8.3333  -12.7583
            3   N5y N     5.0963  -12.8708 #+
            4   C8y C     5.0963  -11.2125
            5   C8y C     4.3801  -11.6250
            6   C8y C     4.3837  -12.4542
            7   C8y C     3.6668  -12.8739
            8   C8y C     2.9464  -12.4603
            9   C8x C     2.9429  -11.6311
            10  C8x C     3.6597  -11.2156
            11  C8y C     5.8167  -12.4542
            12  C8y C     5.8171  -11.6291
            13  C1x C     6.6023  -11.3758
            14  C1y C     7.0843  -12.0445
            15  O2x O     6.6014  -12.7125
            16  C1a C     5.1042  -13.7000
            17  O2a O     5.1000  -10.3875
            18  C1a C     4.3833   -9.9708
            19  C1a C     8.3375  -11.3208
            20  O1a O     8.7458  -12.0375
            21  O2a O     3.6708  -13.6958
            22  C1a C     4.3875  -14.1042
            23  O2a O     2.2375  -12.8750
            24  C1a C     1.5208  -12.4583
BOND        26
            1     5   4 1
            2    11  12 1
            3    12  13 1
            4    13  14 1
            5    14  15 1
            6    15  11 1
            7    14   1 1 #Up
            8     4  12 2
            9     5   6 2
            10    3  16 1
            11    6   7 1
            12    4  17 1
            13    7   8 2
            14   17  18 1
            15    8   9 1
            16    1  19 1
            17    9  10 2
            18    1  20 1
            19   10   5 1
            20    7  21 1
            21    1   2 1
            22   21  22 1
            23   11   3 2
            24    8  23 1
            25    3   6 1
            26   23  24 1


entry: C10746
name: --- - Phyllanthin
formula: C24H34O6
kcf:
ATOM        30
            1   C8y C    -1.6333   -2.3333
            2   C8y C    -1.6333   -3.1625
            3   C8x C    -0.9130   -3.5750
            4   C8y C    -0.1968   -3.1625
            5   C8x C    -0.1968   -2.3333
            6   C8x C    -0.9130   -1.9167
            7   O2a O    -2.3518   -1.9163
            8   O2a O    -2.3518   -3.5754
            9   C1b C     0.5221   -3.5745
            10  C1c C     1.2405   -3.1614
            11  C1c C     1.9553   -3.5734
            12  C1b C     2.6736   -3.1604
            13  C8y C     3.3925   -3.5723
            14  C8x C     3.3922   -4.3998
            15  C8x C     4.1111   -4.8160
            16  C8y C     4.8295   -4.3988
            17  C8y C     4.8289   -3.5696
            18  C8x C     4.1099   -3.1577
            19  O2a O     5.5484   -4.8149
            20  O2a O     5.5472   -3.1566
            21  C1b C     1.2221   -2.3371
            22  C1a C    -3.0706   -2.3326
            23  C1a C    -3.0706   -3.1632
            24  C1b C     1.9559   -4.4026
            25  O2a O     1.2417   -4.8198
            26  C1a C     0.5228   -4.4036
            27  O2a O     1.9271   -1.9045
            28  C1a C     2.6548   -2.3050
            29  C1a C     6.2661   -3.5686
            30  C1a C     6.2667   -4.3977
BOND        31
            1     2   8 1
            2     2   3 1
            3    13  14 2
            4    14  15 1
            5    15  16 2
            6    16  17 1
            7    17  18 2
            8    18  13 1
            9     4   9 1
            10   16  19 1
            11    3   4 2
            12   17  20 1
            13    9  10 1
            14   10  21 1 #Down
            15    4   5 1
            16    7  22 1
            17   10  11 1
            18    8  23 1
            19    5   6 2
            20   11  24 1 #Down
            21   11  12 1
            22   24  25 1
            23    6   1 1
            24   25  26 1
            25   12  13 1
            26   21  27 1
            27   27  28 1
            28    1   7 1
            29   20  29 1
            30    1   2 2
            31   19  30 1


entry: C10747
name: --- - Albine
formula: C14H20N2O
kcf:
ATOM        17
            1   C5x C     3.0417  -12.5750
            2   C2x C     3.0417  -13.4000
            3   C2x C     3.7579  -13.8125
            4   C1x C     3.7579  -12.1625
            5   C1y C     4.4699  -12.5750
            6   N1y N     4.4663  -13.4000
            7   C1x C     5.1790  -13.8155
            8   C1y C     5.8953  -13.4061
            9   C1x C     5.8988  -12.5811
            10  C1y C     5.1861  -12.1656
            11  C1y C     5.8958  -11.7458
            12  C1x C     6.6042  -12.9875
            13  N1x N     6.6125  -12.1500
            14  O5x O     2.3250  -12.1625
            15  C1b C     5.8917  -10.9208
            16  C2b C     6.6042  -10.5083
            17  C2a C     7.3167  -10.9208
BOND        19
            1     7   8 1
            2     8   9 1 #Up
            3    10   9 1 #Up
            4    10   5 1
            5    10  11 1
            6     1   2 1
            7     8  12 1
            8     2   3 2
            9    11  13 1
            10   13  12 1
            11    3   6 1
            12    1  14 2
            13    5   4 1
            14    4   1 1
            15   11  15 1 #Up
            16    5   6 1
            17   15  16 1
            18    6   7 1
            19   16  17 2


entry: C10748
name: --- - Aloperine
formula: C15H24N2
kcf:
ATOM        17
            1   C1x C     2.5500  -11.8750
            2   C1x C     2.5500  -12.7000
            3   C1x C     3.2662  -13.1125
            4   C1x C     3.2662  -11.4625
            5   C1y C     3.9782  -11.8750
            6   N1y N     3.9747  -12.7000
            7   C1x C     4.6874  -13.1155
            8   C1y C     5.4036  -12.7061
            9   C1x C     5.4071  -11.8811
            10  C1y C     4.6944  -11.4656
            11  C2x C     5.4042  -11.0458
            12  C2y C     6.1208  -11.4500
            13  C1y C     6.1125  -12.2875
            14  N1x N     6.8336  -12.7135
            15  C1x C     7.5631  -12.3019
            16  C1x C     7.5714  -11.4644
            17  C1x C     6.8503  -11.0385
BOND        20
            1     8   9 1 #Up
            2    10   9 1 #Up
            3    10   5 1
            4    10  11 1
            5     8  13 1
            6    11  12 2
            7     1   2 1
            8     2   3 1
            9     3   6 1
            10    5   4 1
            11    4   1 1
            12    5   6 1
            13    6   7 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  12 1
            20    7   8 1


entry: C10749
name: --- - Ammothamnine - Oxymatrine - Matrine N-oxide
formula: C15H24N2O2
kcf:
ATOM        19
            1   C1x C     3.6250  -12.7208
            2   C1x C     3.6250  -13.5500
            3   C1x C     4.3454  -13.9625
            4   N2y N     5.0580  -13.5500
            5   C1x C     5.7749  -13.9655
            6   C1x C     6.4953  -13.5561
            7   C1x C     6.4988  -12.7269
            8   C1y C     4.3454  -12.3042
            9   C1y C     5.0598  -12.7239
            10  C1y C     5.7789  -12.3124
            11  C1x C     4.3501  -11.4771
            12  N1y N     5.0692  -11.0698
            13  C1y C     5.7816  -11.4845
            14  C1x C     6.4990  -11.0786
            15  C1x C     6.5040  -10.2538
            16  C1x C     5.7917   -9.8349
            17  C5x C     5.0743  -10.2450
            18  O5x O     4.3500   -9.8250
            19  O3a O     5.0500  -14.3750
BOND        22
            1    10  13 1
            2    12  11 1
            3    11   8 1
            4     3   4 1
            5     9   4 1
            6     4   5 1
            7     5   6 1
            8     6   7 1
            9     7  10 1
            10   12  13 1
            11   13  14 1
            12   14  15 1
            13   15  16 1
            14   16  17 1
            15   17  12 1
            16    8   1 1
            17   17  18 2
            18    1   2 1
            19    2   3 1
            20    8   9 1
            21    9  10 1
            22    4  19 2


entry: C10750
name: --- - Anagyrine
formula: C15H20N2O
kcf:
ATOM        18
            1   C8x C     2.5500  -11.4667
            2   C8x C     2.5500  -12.2917
            3   C8y C     3.2662  -12.7042
            4   C8x C     3.2662  -11.0542
            5   C8y C     3.9782  -11.4667
            6   N4y N     3.9747  -12.2917
            7   C1x C     4.6874  -12.7072
            8   C1y C     5.4036  -12.2978
            9   C1x C     5.4071  -11.4728
            10  C1y C     4.6944  -11.0572
            11  C1x C     5.4042  -10.6375
            12  N1y N     6.1208  -11.0417
            13  C1y C     6.1125  -11.8792
            14  C1x C     6.8336  -12.3051
            15  C1x C     7.5631  -11.8936
            16  C1x C     7.5714  -11.0561
            17  C1x C     6.8503  -10.6301
            18  O5x O     3.2583  -13.5292
BOND        21
            1     8   9 1 #Down
            2    10   9 1 #Down
            3    10   5 1
            4    10  11 1
            5     8  13 1
            6    11  12 1
            7     1   2 2
            8     2   3 1
            9     3   6 1
            10    5   4 2
            11    4   1 1
            12    5   6 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  12 1
            19    6   7 1
            20    7   8 1
            21    3  18 2


entry: C10751
name: --- - Angustifoline
formula: C14H22N2O
kcf:
ATOM        17
            1   C1x C     0.1458   -6.0292
            2   C1x C     0.1458   -6.8583
            3   C5x C     0.8662   -7.2750
            4   C1x C     0.8662   -5.6167
            5   C1y C     1.5824   -6.0292
            6   N1y N     1.5788   -6.8583
            7   C1x C     2.2957   -7.2780
            8   C1y C     3.0161   -6.8644
            9   C1x C     3.0196   -6.0353
            10  C1y C     2.3028   -5.6197
            11  C1x C     3.0167   -5.1958
            12  C1y C     3.7292   -6.4458
            13  N1x N     3.7375   -5.6042
            14  O5x O     0.8583   -8.1042
            15  C1b C     4.4417   -6.8583
            16  C2b C     5.1583   -6.4458
            17  C2a C     5.8750   -6.8542
BOND        19
            1     7   8 1
            2     8   9 1 #Up
            3    10   9 1 #Up
            4    10   5 1
            5    10  11 1
            6     1   2 1
            7     8  12 1
            8     2   3 1
            9    11  13 1
            10   13  12 1
            11    3   6 1
            12    5   4 1
            13    3  14 2
            14    4   1 1
            15   12  15 1 #Up
            16    5   6 1
            17   15  16 1
            18    6   7 1
            19   16  17 2


entry: C10752
name: --- - Aphylline
formula: C15H24N2O
comment: (+)-form
kcf:
ATOM        18
            1   C1x C     2.5500  -11.4792
            2   C1x C     2.5500  -12.3042
            3   C1x C     3.2662  -12.7167
            4   C1x C     3.2662  -11.0667
            5   C1y C     3.9782  -11.4792
            6   N1y N     3.9747  -12.3042
            7   C5x C     4.6874  -12.7197
            8   C1y C     5.4036  -12.3103
            9   C1x C     5.4071  -11.4853
            10  C1y C     4.6944  -11.0697
            11  C1x C     5.4042  -10.6500
            12  N1y N     6.1208  -11.0542
            13  C1y C     6.1125  -11.8917
            14  C1x C     6.8336  -12.3176
            15  C1x C     7.5631  -11.9061
            16  C1x C     7.5714  -11.0686
            17  C1x C     6.8503  -10.6426
            18  O5x O     4.6792  -13.5417
BOND        21
            1    10   9 1 #Up
            2    10   5 1
            3    10  11 1
            4     8  13 1
            5    11  12 1
            6     1   2 1
            7     2   3 1
            8     3   6 1
            9     5   4 1
            10    4   1 1
            11    5   6 1
            12    6   7 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  12 1
            19    7   8 1
            20    8   9 1 #Up
            21    7  18 2


entry: C10753
name: --- - Argentine
formula: C23H26N4O3
kcf:
ATOM        30
            1   C8x C     9.3458  -11.8958
            2   C8x C     9.3458  -12.7208
            3   C8y C     8.6296  -13.1333
            4   C8x C     8.6296  -11.4833
            5   C8y C     7.9176  -11.8958
            6   N4y N     7.9212  -12.7208
            7   C1x C     7.2085  -13.1364
            8   C1y C     6.4922  -12.7269
            9   C1x C     6.4887  -11.9019
            10  C1y C     7.2014  -11.4864
            11  C1x C     6.4917  -11.0667
            12  N1y N     5.7750  -11.4708
            13  C1x C     5.7833  -12.3083
            14  O5x O     8.6375  -13.9583
            15  C8x C     0.7792  -11.9000
            16  C8x C     0.7792  -12.7250
            17  C8y C     1.4954  -13.1375
            18  C8x C     1.4954  -11.4875
            19  C8y C     2.2074  -11.9000
            20  N4y N     2.2038  -12.7250
            21  C1x C     2.9165  -13.1405
            22  C1y C     3.6328  -12.7311
            23  C1x C     3.6363  -11.9061
            24  C1y C     2.9236  -11.4906
            25  C1x C     3.6333  -11.0708
            26  N1y N     4.3500  -11.4750
            27  C1x C     4.3417  -12.3125
            28  O5x O     1.4875  -13.9625
            29  C5a C     5.0625  -11.0625
            30  O5a O     5.0583  -10.2375
BOND        35
            1     3  14 2
            2     5   4 2
            3     4   1 1
            4     5   6 1
            5     6   7 1
            6    15  16 2
            7    16  17 1
            8    17  20 1
            9    19  18 2
            10   18  15 1
            11    7   8 1
            12    8   9 1 #Up
            13   10   9 1 #Up
            14   10   5 1
            15   10  11 1
            16   19  20 1
            17   20  21 1
            18   21  22 1
            19   22  23 1 #Down
            20   24  23 1 #Down
            21   24  19 1
            22    8  13 1
            23   24  25 1
            24   22  27 1
            25   25  26 1
            26   11  12 1
            27    1   2 2
            28   26  27 1
            29    2   3 1
            30   17  28 2
            31   12  13 1
            32   26  29 1
            33   29  12 1
            34    3   6 1
            35   29  30 2


entry: C10754
name: --- - Argyrolobine
formula: C15H22N2O2
kcf:
ATOM        19
            1   C1x C     2.5500  -11.4667
            2   C1x C     2.5500  -12.2917
            3   C1y C     3.2662  -12.7042
            4   C2x C     3.2662  -11.0542
            5   C2y C     3.9782  -11.4667
            6   N1y N     3.9747  -12.2917
            7   C5x C     4.6874  -12.7072
            8   C1y C     5.4036  -12.2978
            9   C1x C     5.4071  -11.4728
            10  C1y C     4.6944  -11.0572
            11  C1x C     5.4042  -10.6375
            12  O1a O     3.2583  -13.5292
            13  N1y N     6.1208  -11.0417
            14  C1y C     6.1125  -11.8792
            15  C1x C     6.8336  -12.3051
            16  C1x C     7.5631  -11.8936
            17  C1x C     7.5714  -11.0561
            18  C1x C     6.8503  -10.6301
            19  O5x O     4.6792  -13.5292
BOND        22
            1    10   9 1 #Up
            2    10   5 1
            3    10  11 1
            4     8  14 1
            5    11  13 1
            6     1   2 1
            7     3  12 1 #Either
            8     2   3 1
            9     3   6 1
            10    5   4 2
            11    4   1 1
            12    5   6 1
            13    6   7 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  13 1
            20    7   8 1
            21    7  19 2
            22    8   9 1 #Up


entry: C10755
name: --- - Baptifoline
formula: C15H20N2O2
kcf:
ATOM        19
            1   C8x C    -0.9875   -3.3500
            2   C8x C    -0.9875   -4.1750
            3   C8y C    -0.2713   -4.5875
            4   C8x C    -0.2713   -2.9375
            5   C8y C     0.4407   -3.3500
            6   N4y N     0.4372   -4.1750
            7   C1x C     1.1499   -4.5905
            8   C1y C     1.8661   -4.1811
            9   C1x C     1.8696   -3.3561
            10  C1y C     1.1569   -2.9406
            11  C1x C     1.8667   -2.5208
            12  N1y N     2.5833   -2.9250
            13  C1y C     2.5750   -3.7625
            14  C1x C     3.2961   -4.1885
            15  C1y C     4.0256   -3.7769
            16  C1x C     4.0339   -2.9394
            17  C1x C     3.3128   -2.5135
            18  O5x O    -0.2792   -5.4125
            19  O1a O     4.7375   -4.1875
BOND        22
            1    10   9 1 #Down
            2    10   5 1
            3    10  11 1
            4     8  13 1
            5    11  12 1
            6     1   2 2
            7     2   3 1
            8     3   6 1
            9     5   4 2
            10    4   1 1
            11    5   6 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  12 1
            18    6   7 1
            19    7   8 1
            20    3  18 2
            21    8   9 1 #Down
            22   15  19 1 #Down


entry: C10756
name: --- - Cadiamine
formula: C15H26N2O3
kcf:
ATOM        20
            1   C1x C     2.0208  -12.5125
            2   C1x C     2.0208  -13.3417
            3   C5x C     2.7454  -13.7583
            4   N1x N     3.4615  -13.3417
            5   C1y C     3.4615  -12.5125
            6   C1x C     2.7454  -12.1000
            7   C1y C     4.1793  -12.1015
            8   C1x C     4.8934  -12.5145
            9   C1y C     4.8946  -10.8562
            10  C1x C     4.1799  -11.2723
            11  C1y C     5.6171  -11.2734
            12  N1y N     5.6121  -12.0997
            13  C1x C     6.3258  -12.5152
            14  C1x C     7.0445  -12.1084
            15  C1y C     7.0495  -11.2821
            16  C1x C     6.3358  -10.8625
            17  O5x O     2.7375  -14.5750
            18  C1b C     4.8875  -10.0375
            19  O1a O     5.5958   -9.6250
            20  O1a O     7.7500  -10.8667
BOND        22
            1     4   5 1
            2     5   6 1
            3     6   1 1
            4     1   2 1
            5     2   3 1
            6    11  12 1
            7    12  13 1
            8    13  14 1
            9    14  15 1
            10   15  16 1
            11   16  11 1
            12    3   4 1
            13    3  17 2
            14    7   8 1
            15    8  12 1
            16   11   9 1
            17    9  18 1 #Either
            18    9  10 1
            19   18  19 1
            20   10   7 1
            21    5   7 1
            22   15  20 1 #Either


entry: C10757
name: --- - Calpurnine - Hoe 933
formula: C20H27N3O3
kcf:
ATOM        26
            1   C8x C     9.0474  -11.5286
            2   C8x C     9.3042  -12.3127
            3   N4x N     8.6349  -12.7995
            4   C8y C     7.9657  -12.3127
            5   C8x C     8.2224  -11.5286
            6   C1x C     0.8167  -11.4792
            7   C1x C     0.8167  -12.3042
            8   C5x C     1.5329  -12.7167
            9   C1x C     1.5329  -11.0667
            10  C1y C     2.2449  -11.4792
            11  N1y N     2.2413  -12.3042
            12  C1x C     2.9540  -12.7197
            13  C1y C     3.6703  -12.3103
            14  C1x C     3.6738  -11.4853
            15  C1y C     2.9611  -11.0697
            16  C1x C     3.6708  -10.6500
            17  N1y N     4.3875  -11.0542
            18  C1y C     4.3792  -11.8917
            19  C1x C     5.1003  -12.3176
            20  C1y C     5.8298  -11.9061
            21  C1x C     5.8381  -11.0686
            22  C1x C     5.1170  -10.6426
            23  O5x O     1.5250  -13.5417
            24  O7a O     6.5417  -12.3167
            25  C7a C     7.2542  -11.9042
            26  O7a O     7.2500  -11.0792
BOND        30
            1    12  13 1
            2    13  14 1 #Up
            3    15  14 1 #Up
            4    15  10 1
            5     6   7 1
            6    15  16 1
            7    13  18 1
            8    16  17 1
            9     7   8 1
            10    8  11 1
            11   10   9 1
            12    9   6 1
            13    4   5 2
            14    5   1 1
            15   17  18 1
            16   18  19 1
            17   19  20 1
            18   20  21 1
            19   21  22 1
            20   22  17 1
            21    1   2 2
            22    8  23 2
            23    2   3 1
            24   20  24 1 #Down
            25    3   4 1
            26   10  11 1
            27   24  25 1
            28   25   4 1
            29   11  12 1
            30   25  26 2


entry: C10758
name: --- - Camoensine
formula: C14H18N2O
kcf:
ATOM        17
            1   C8x C     2.6417  -11.4625
            2   C8x C     2.6417  -12.2875
            3   C8y C     3.3579  -12.7000
            4   C8x C     3.3579  -11.0500
            5   C8y C     4.0699  -11.4625
            6   N4y N     4.0663  -12.2875
            7   C1x C     4.7790  -12.7030
            8   C1y C     5.4953  -12.2936
            9   C1x C     5.4988  -11.4686
            10  C1y C     4.7861  -11.0531
            11  C1x C     5.4958  -10.6333
            12  O5x O     3.3500  -13.5250
            13  N1y N     6.2095  -11.0433
            14  C1y C     6.2042  -11.8750
            15  C1x C     6.9936  -12.1371
            16  C1x C     7.4867  -11.4673
            17  C1x C     7.0022  -10.7913
BOND        20
            1     7   8 1
            2     8   9 1 #Up
            3    10   9 1 #Up
            4    10   5 1
            5    10  11 1
            6     8  14 1
            7    11  13 1
            8     1   2 2
            9     3  12 2
            10    2   3 1
            11    3   6 1
            12    5   4 2
            13    4   1 1
            14    5   6 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  13 1
            20    6   7 1


entry: C10759
name: --- - Anacardic acid
formula: C22H36O3
kcf:
ATOM        25
            1   C1b C     6.7498   -5.1552
            2   C1b C     7.4665   -4.7427
            3   C1b C     8.1831   -5.1510
            4   C1b C     8.8998   -4.7385
            5   C1b C     9.6123   -5.1468
            6   C1b C    10.3290   -4.7343
            7   C1b C    11.0456   -5.1427
            8   C1b C    11.7623   -4.7302
            9   C1b C    12.4790   -5.1385
            10  C1b C    13.1956   -4.7260
            11  C1b C    13.9123   -5.1343
            12  C1b C    14.6248   -4.7218
            13  C1b C    15.3415   -5.1302
            14  C1a C    16.0581   -4.7177
            15  C8x C     3.8996   -6.0343
            16  C8x C     4.6248   -6.4361
            17  C8x C     5.3347   -6.0060
            18  C8y C     5.3210   -5.1797
            19  C8y C     4.5958   -4.7778
            20  C8y C     3.8843   -5.2022
            21  C6a C     4.5808   -3.9538
            22  O6a O     5.2926   -3.5288
            23  O1a O     3.1594   -4.7994
            24  O6a O     3.8560   -3.5510
            25  C1b C     6.0283   -4.7550
BOND        25
            1    13  14 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    1   2 1
            13   20  15 1
            14   19  21 1
            15   15  16 2
            16   21  22 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  23 1
            22   21  24 2
            23   12  13 1
            24   18  25 1
            25   25   1 1


entry: C10760
name: --- - Caulophylline - N-Methylcytisine
formula: C12H16N2O
kcf:
ATOM        15
            1   C8x C     2.6708  -11.4875
            2   C8x C     2.6708  -12.3125
            3   C8y C     3.3870  -12.7250
            4   C8x C     3.3870  -11.0750
            5   C8y C     4.0990  -11.4875
            6   N4y N     4.0955  -12.3125
            7   C1x C     4.8082  -12.7280
            8   C1y C     5.5244  -12.3186
            9   C1x C     5.5280  -11.4936
            10  C1y C     4.8153  -11.0781
            11  C1x C     5.5250  -10.6583
            12  N1y N     6.2417  -11.0625
            13  C1x C     6.2333  -11.9000
            14  O5x O     3.3792  -13.5500
            15  C1a C     6.9542  -10.6458
BOND        17
            1     4   1 1
            2     5   6 1
            3     6   7 1
            4     7   8 1
            5     8   9 1 #Down
            6    10   9 1 #Down
            7    10   5 1
            8    10  11 1
            9     8  13 1
            10   11  12 1
            11    1   2 2
            12    2   3 1
            13   12  13 1
            14    3   6 1
            15    3  14 2
            16    5   4 2
            17   12  15 1


entry: C10761
name: --- - p-Anisaldehyde
formula: C8H8O2
kcf:
ATOM        10
            1   C8y C     4.8233  -12.8675
            2   C8x C     5.5503  -12.4656
            3   C8x C     5.5665  -11.6351
            4   C8y C     4.8577  -11.2101
            5   C8x C     4.1307  -11.6078
            6   C8x C     4.1125  -12.4346
            7   C4a C     4.8741  -10.3811
            8   O4a O     4.1638   -9.9503
            9   O2a O     4.8058  -13.6964
            10  C1a C     5.5156  -14.1240
BOND        10
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     4   7 1
            5     1   2 2
            6     7   8 2
            7     2   3 1
            8     1   9 1
            9     3   4 2
            10    9  10 1


entry: C10762
name: --- - Cinegalline
formula: C23H30N2O6
kcf:
ATOM        31
            1   C8y C     6.9625  -11.8958
            2   C8x C     6.9583  -12.7208
            3   C8y C     7.6707  -13.1369
            4   C8y C     8.3873  -12.7280
            5   C8y C     8.3914  -11.9030
            6   C8x C     7.6791  -11.4869
            7   C1x C    -0.1833  -11.0625
            8   C1x C    -0.1833  -11.8875
            9   C5x C     0.5329  -12.3000
            10  C1x C     0.5329  -10.6500
            11  C1y C     1.2449  -11.0625
            12  N1y N     1.2413  -11.8875
            13  C1x C     1.9540  -12.3030
            14  C1y C     2.6703  -11.8936
            15  C1x C     2.6738  -11.0686
            16  C1y C     1.9611  -10.6531
            17  C1x C     2.6708  -10.2333
            18  N1y N     3.3875  -10.6375
            19  C1y C     3.3792  -11.4750
            20  C1x C     4.1003  -11.9010
            21  C1y C     4.8298  -11.4894
            22  C1x C     4.8381  -10.6519
            23  C1x C     4.1170  -10.2260
            24  O5x O     0.5250  -13.1250
            25  O7a O     5.5417  -11.9000
            26  C7a C     6.2542  -11.4875
            27  O7a O     6.2500  -10.6625
            28  O1a O     7.6625  -13.9583
            29  O1a O     9.1000  -11.4833
            30  O2a O     9.0958  -13.1375
            31  C1a C     9.8083  -12.7292
BOND        35
            1    16  11 1
            2     3   4 1
            3    16  17 1
            4    14  19 1
            5    17  18 1
            6     7   8 1
            7     8   9 1
            8     9  12 1
            9    11  10 1
            10   10   7 1
            11    4   5 2
            12   18  19 1
            13   19  20 1
            14   20  21 1
            15   21  22 1
            16   22  23 1
            17   23  18 1
            18    5   6 1
            19    6   1 2
            20    9  24 2
            21   21  25 1 #Down
            22    1   2 1
            23    2   3 2
            24   25  26 1
            25   26   1 1
            26   11  12 1
            27   26  27 2
            28   12  13 1
            29    3  28 1
            30   13  14 1
            31    5  29 1
            32   14  15 1 #Up
            33    4  30 1
            34   16  15 1 #Up
            35   30  31 1


entry: C10763
name: --- - Cytisine
formula: C11H14N2O
kcf:
ATOM        14
            1   C8x C     3.1083  -11.4625
            2   C8x C     3.1083  -12.2875
            3   C8y C     3.8245  -12.7000
            4   C8x C     3.8245  -11.0500
            5   C8y C     4.5365  -11.4625
            6   N4y N     4.5330  -12.2875
            7   C1x C     5.2457  -12.7030
            8   C1y C     5.9619  -12.2936
            9   C1x C     5.9655  -11.4686
            10  C1y C     5.2528  -11.0531
            11  C1x C     5.9625  -10.6333
            12  N1x N     6.6792  -11.0375
            13  C1x C     6.6708  -11.8750
            14  O5x O     3.8167  -13.5250
BOND        16
            1     5   4 2
            2     4   1 1
            3     5   6 1
            4     6   7 1
            5     7   8 1
            6     8   9 1 #Down
            7    10   9 1 #Down
            8    10   5 1
            9    10  11 1
            10    8  13 1
            11   11  12 1
            12    1   2 2
            13    2   3 1
            14   12  13 1
            15    3   6 1
            16    3  14 2


entry: C10764
name: --- - 5,6-Dehydrolupanine
formula: C15H22N2O
kcf:
ATOM        18
            1   C1x C     2.5500  -11.4667
            2   C1x C     2.5500  -12.2917
            3   C5x C     3.2662  -12.7042
            4   C2x C     3.2662  -11.0542
            5   C2y C     3.9782  -11.4667
            6   N1y N     3.9747  -12.2917
            7   C1x C     4.6874  -12.7072
            8   C1y C     5.4036  -12.2978
            9   C1x C     5.4071  -11.4728
            10  C1y C     4.6944  -11.0572
            11  C1x C     5.4042  -10.6375
            12  O5x O     3.2583  -13.5292
            13  N1y N     6.1208  -11.0417
            14  C1y C     6.1125  -11.8792
            15  C1x C     6.8336  -12.3051
            16  C1x C     7.5631  -11.8936
            17  C1x C     7.5714  -11.0561
            18  C1x C     6.8503  -10.6301
BOND        21
            1     8   9 1 #Up
            2    10   9 1 #Up
            3    10   5 1
            4    10  11 1
            5     8  14 1
            6    11  13 1
            7     1   2 1
            8     3  12 2
            9     2   3 1
            10    3   6 1
            11    5   4 2
            12    4   1 1
            13    5   6 1
            14    6   7 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  13 1
            21    7   8 1


entry: C10765
name: --- - Antiarol - 3,4,5-Trimethoxyphenol
formula: C9H12O4
kcf:
ATOM        13
            1   C8y C     4.3441  -12.2469
            2   C8y C     5.0655  -12.6587
            3   C8y C     5.7822  -12.2357
            4   C8x C     5.7754  -11.4087
            5   C8y C     5.0540  -11.0010
            6   C8x C     4.3393  -11.4162
            7   O2a O     6.5041  -12.6466
            8   C1a C     6.5107  -13.4758
            9   O2a O     5.0715  -13.4878
            10  C1a C     4.3559  -13.9055
            11  O2a O     3.6280  -12.6680
            12  C1a C     3.6332  -13.4971
            13  O1a O     5.0490  -10.1719
BOND        13
            1     3   7 1
            2     1   2 2
            3     7   8 1
            4     2   3 1
            5     2   9 1
            6     3   4 2
            7     9  10 1
            8     4   5 1
            9     1  11 1
            10    5   6 2
            11   11  12 1
            12    6   1 1
            13    5  13 1


entry: C10766
name: --- - Ascosalitoxin
formula: C15H20O4
kcf:
ATOM        19
            1   C8y C     2.9083  -11.6833
            2   C8y C     2.9083  -12.5125
            3   C8y C     3.6287  -12.9292
            4   C8y C     4.3449  -12.5125
            5   C8y C     4.3449  -11.6833
            6   C8x C     3.6287  -11.2708
            7   O1a O     2.1941  -11.2705
            8   C1a C     2.1941  -12.9295
            9   O1a O     3.6297  -13.7583
            10  C4a C     5.0638  -12.9286
            11  O4a O     5.0644  -13.7578
            12  C1c C     5.0638  -11.2714
            13  C5a C     5.7821  -11.6844
            14  C1c C     6.5011  -11.2724
            15  C1b C     7.2194  -11.6855
            16  C1a C     7.9342  -11.2735
            17  O5a O     5.7815  -12.5136
            18  C1a C     5.0644  -10.4422
            19  C1a C     6.5017  -10.4433
BOND        19
            1     3   4 2
            2     4  10 1
            3     4   5 1
            4    10  11 2
            5     5   6 2
            6     5  12 1
            7     6   1 1
            8    12  13 1
            9    13  14 1
            10    1   7 1
            11   14  15 1
            12    1   2 2
            13   15  16 1
            14    2   8 1
            15   13  17 2
            16    2   3 1
            17   12  18 1 #Either
            18    3   9 1
            19   14  19 1 #Either


entry: C10767
name: --- - Dimethamine
formula: C24H32N4O2
kcf:
ATOM        30
            1   C8x C     4.1042  -10.3833
            2   C8y C     4.1042  -11.2083
            3   C8y C     4.8204  -11.6208
            4   C8x C     4.8204   -9.9708
            5   C8y C     5.5324  -10.3833
            6   N4y N     5.5288  -11.2083
            7   C1x C     6.2415  -11.6239
            8   C1y C     6.9578  -11.2144
            9   C1x C     6.9613  -10.3894
            10  C1y C     6.2486   -9.9739
            11  C1x C     6.9583   -9.5542
            12  N1y N     7.6750   -9.9583
            13  C1x C     7.6667  -10.7958
            14  O5x O     4.8125  -12.4458
            15  C1a C     8.3875   -9.5417
            16  C1x C     2.6907  -13.6917
            17  C1y C     4.1161  -12.8606
            18  C1x C     4.1196  -13.6856
            19  C1y C     3.4069  -14.1011
            20  C1x C     4.1167  -14.5208
            21  N1y N     4.8333  -14.1167
            22  C1x C     4.8250  -13.2792
            23  C1a C     5.5458  -14.5333
            24  N1y N     2.6893  -12.8703
            25  C2y C     3.3999  -12.4511
            26  C2y C     3.3921  -11.6262
            27  C1x C     2.6738  -11.2204
            28  C1x C     1.9632  -11.6396
            29  C5x C     1.9710  -12.4646
            30  O5x O     1.2542  -12.8708
BOND        35
            1     3  14 2
            2     5   4 2
            3    12  15 1
            4     4   1 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8    16  24 1
            9    25  17 1
            10   17  18 1 #Down
            11   19  18 1 #Down
            12   19  16 1
            13    8   9 1 #Down
            14   19  20 1
            15   17  22 1
            16   20  21 1
            17   10   9 1 #Down
            18   10   5 1
            19   21  22 1
            20   21  23 1
            21   10  11 1
            22    8  13 1
            23   11  12 1
            24    1   2 2
            25    2   3 1
            26   12  13 1
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  24 1
            33    3   6 1
            34   29  30 2
            35   26   2 1


entry: C10768
name: --- - Jamine
formula: C21H35N3
comment: (-)-form
kcf:
ATOM        24
            1   C1x C     2.7000   -9.9708
            2   C1x C     2.7000  -10.8000
            3   C1x C     3.4204  -11.2125
            4   C1x C     3.4204   -9.5542
            5   C1y C     4.1365   -9.9708
            6   N1y N     4.1330  -10.8000
            7   C1x C     4.8499  -11.2155
            8   C1x C     5.5696   -9.9769
            9   C1y C     4.8569   -9.5572
            10  C1x C     5.5667   -9.1375
            11  C1y C     6.2875   -9.5417
            12  C1x C     7.7381  -10.3978
            13  C1x C     7.7464   -9.5561
            14  C1x C     7.0211   -9.1301
            15  C1y C     6.2792  -10.3833
            16  C1z C     5.5659  -10.8016
            17  C1x C     7.0006  -11.6198
            18  N1y N     6.9965  -10.7945
            19  N1y N     6.2874  -12.0339
            20  C1y C     5.5737  -11.6248
            21  C1x C     4.8646  -12.0347
            22  C1x C     4.8651  -12.8579
            23  C1x C     5.5746  -13.2712
            24  C1x C     6.2878  -12.8571
BOND        29
            1    11  15 1
            2    18  12 1
            3    12  13 1
            4    13  14 1
            5    14  11 1
            6     5   4 1
            7     5   6 1
            8     6   7 1
            9     7  16 1
            10   16   8 1 #Down
            11   15  16 1
            12   16  20 1
            13   19  17 1
            14   17  18 1
            15   18  15 1
            16    9   8 1 #Down
            17    9   5 1
            18    4   1 1
            19    9  10 1
            20   10  11 1
            21    1   2 1
            22    2   3 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  19 1
            29    3   6 1


entry: C10769
name: --- - Lamprolobine
formula: C15H24N2O2
kcf:
ATOM        19
            1   N1y N     5.7792  -11.3542
            2   C5x C     6.4958  -11.7708
            3   C1x C     7.2135  -11.3559
            4   C1x C     7.2145  -10.5284
            5   C1x C     6.4978  -10.1159
            6   C5x C     5.7802  -10.5267
            7   C1x C     2.9083  -13.0083
            8   C1x C     2.9083  -13.8375
            9   C1x C     3.6287  -14.2542
            10  C1x C     3.6287  -12.5958
            11  C1y C     4.3449  -13.0083
            12  N1y N     4.3413  -13.8375
            13  C1x C     5.0582  -14.2572
            14  C1x C     5.7786  -13.8436
            15  C1x C     5.7821  -13.0144
            16  C1y C     5.0653  -12.5989
            17  C1b C     5.0625  -11.7708
            18  O5x O     6.4917  -12.6000
            19  O5x O     5.0583  -10.1125
BOND        21
            1    11  10 1
            2    10   7 1
            3     4   5 1
            4     5   6 1
            5     6   1 1
            6     1   2 1
            7     2   3 1
            8    11  12 1
            9    12  13 1
            10   13  14 1
            11   14  15 1
            12   15  16 1
            13   16  11 1
            14    3   4 1
            15   16  17 1 #Up
            16   17   1 1
            17    7   8 1
            18    8   9 1
            19    2  18 2
            20    9  12 1
            21    6  19 2


entry: C10770
name: --- - Bilobol - 5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol
formula: C21H34O2
kcf:
ATOM        23
            1   C8x C     8.3345  -10.5139
            2   C8y C     8.3345  -11.9158
            3   C8x C     9.5525  -12.6204
            4   C8y C    10.7564  -11.9158
            5   C8x C    10.7564  -10.5139
            6   C8y C     9.5525   -9.8164
            7   C1b C    11.9722  -12.6196
            8   C1b C    13.1817  -11.9089
            9   C1b C    14.3935  -12.6133
            10  C1b C    15.6054  -11.9089
            11  C1b C    16.8171  -12.6133
            12  C1b C    18.0290  -11.9089
            13  C1b C    19.2338  -12.6133
            14  C2b C    20.4456  -11.9089
            15  C2b C    20.4385  -10.5068
            16  C1b C    19.2199   -9.8154
            17  C1b C    18.0150  -10.5068
            18  C1b C    16.8031   -9.8093
            19  C1b C    15.5912  -10.5068
            20  C1b C    14.3795   -9.8093
            21  C1a C    13.1676  -10.5068
            22  O1a O     9.5543   -8.4143
            23  O1a O     7.1427  -12.6031
BOND        23
            1    10  11 1
            2     5   6 2
            3    11  12 1
            4     6   1 1
            5    12  13 1
            6    13  14 1
            7     4   7 1
            8    14  15 2
            9     1   2 2
            10   15  16 1
            11    7   8 1
            12   16  17 1
            13    2   3 1
            14   17  18 1
            15    8   9 1
            16   18  19 1
            17    3   4 2
            18   19  20 1
            19    9  10 1
            20   20  21 1
            21    4   5 1
            22    6  22 1
            23    2  23 1


entry: C10771
name: --- - Leontiformine
formula: C15H26N2O
kcf:
ATOM        18
            1   C1x C     4.5583   -2.6083
            2   C1x C     4.5583   -3.4375
            3   C1x C     3.8380   -3.8500
            4   C1x C     3.8380   -2.1958
            5   C1y C     3.1260   -2.6083
            6   N1y N     3.1295   -3.4375
            7   C1x C     2.4168   -3.8530
            8   C1y C     1.6922   -3.4436
            9   C1x C     1.6887   -2.6144
            10  C1x C     2.4097   -2.1989
            11  C1y C     0.9837   -3.8582
            12  N1y N     0.9872   -4.6874
            13  C1x C     0.2745   -5.1071
            14  C1x C    -0.4459   -4.6935
            15  C1x C    -0.4494   -3.8643
            16  C1x C     0.2675   -3.4488
            17  C4a C     1.7042   -5.0958
            18  O4a O     2.4250   -4.6750
BOND        20
            1    10   5 1
            2     1   2 1
            3     2   3 1
            4     3   6 1
            5     5   4 1
            6     4   1 1
            7    11  12 1
            8    12  13 1
            9    13  14 1
            10   14  15 1
            11   15  16 1
            12   16  11 1
            13    8  11 1
            14    5   6 1
            15   12  17 1
            16    6   7 1
            17   17  18 2
            18    7   8 1
            19    8   9 1
            20    9  10 1


entry: C10772
name: --- - Lupanine - (+)-Lupanine
formula: C15H24N2O
kcf:
ATOM        18
            1   C1x C     0.0417   -4.4083
            2   C1x C     0.0417   -5.2333
            3   C5x C     0.7579   -5.6458
            4   C1x C     0.7579   -3.9958
            5   C1y C     1.4699   -4.4083
            6   N1y N     1.4663   -5.2333
            7   C1x C     2.1790   -5.6489
            8   C1y C     2.8953   -5.2394
            9   C1x C     2.8988   -4.4144
            10  C1y C     2.1861   -3.9989
            11  C1x C     2.8958   -3.5792
            12  O5x O     0.7500   -6.4708
            13  N1y N     3.6125   -3.9833
            14  C1y C     3.6042   -4.8208
            15  C1x C     4.3253   -5.2468
            16  C1x C     5.0548   -4.8353
            17  C1x C     5.0631   -3.9978
            18  C1x C     4.3420   -3.5718
BOND        21
            1    10   9 1 #Up
            2    10   5 1
            3    10  11 1
            4     8  14 1
            5    11  13 1
            6     1   2 1
            7     2   3 1
            8     3  12 2
            9     3   6 1
            10    5   4 1
            11    4   1 1
            12    5   6 1
            13    6   7 1
            14    7   8 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  13 1
            21    8   9 1 #Up


entry: C10773
name: --- - Lupinine
formula: C10H19NO
kcf:
ATOM        12
            1   C1x C     3.4500  -12.3917
            2   C1x C     3.4500  -13.2208
            3   C1x C     4.1704  -13.6375
            4   C1x C     4.1704  -11.9792
            5   C1y C     4.8865  -12.3917
            6   N1y N     4.8830  -13.2208
            7   C1x C     5.5999  -13.6405
            8   C1x C     6.3203  -13.2269
            9   C1x C     6.3238  -12.3978
            10  C1y C     5.6069  -11.9822
            11  C1b C     5.6000  -11.1500
            12  O1a O     6.3167  -10.7292
BOND        13
            1     3   6 1
            2     5   4 1
            3     4   1 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10   5 1
            10    1   2 1
            11   10  11 1 #Down
            12    2   3 1
            13   11  12 1


entry: C10774
name: --- - Matrine
formula: C15H24N2O
kcf:
ATOM        18
            1   C1x C     3.6250  -13.0042
            2   C1x C     3.6250  -13.8333
            3   C1x C     4.3454  -14.2500
            4   N1y N     5.0580  -13.8333
            5   C1x C     5.7749  -14.2530
            6   C1x C     6.4953  -13.8394
            7   C1x C     6.4988  -13.0103
            8   C1y C     4.3454  -12.5917
            9   C1y C     5.0598  -13.0072
            10  C1y C     5.7789  -12.5999
            11  C1x C     4.3501  -11.7646
            12  N1y N     5.0692  -11.3532
            13  C1y C     5.7816  -11.7720
            14  C1x C     6.4990  -11.3620
            15  C1x C     6.5040  -10.5372
            16  C1x C     5.7917  -10.1224
            17  C5x C     5.0743  -10.5283
            18  O5x O     4.3500  -10.1125
BOND        21
            1     9  10 1
            2    10  13 1
            3    12  11 1
            4    11   8 1
            5     3   4 1
            6     9   4 1
            7     4   5 1
            8     5   6 1
            9     6   7 1
            10    7  10 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  12 1
            17    8   1 1
            18   17  18 2
            19    1   2 1
            20    2   3 1
            21    8   9 1


entry: C10775
name: --- - Multiflorine
formula: C15H22N2O
kcf:
ATOM        18
            1   C5x C     2.9208  -11.8917
            2   C2x C     2.9208  -12.7167
            3   C2x C     3.6370  -13.1292
            4   C1x C     3.6370  -11.4792
            5   C1y C     4.3490  -11.8917
            6   N1y N     4.3455  -12.7167
            7   C1x C     5.0582  -13.1322
            8   C1y C     5.7744  -12.7228
            9   C1x C     5.7780  -11.8978
            10  C1y C     5.0653  -11.4822
            11  C1x C     5.7750  -11.0625
            12  O5x O     2.2042  -11.4792
            13  N1y N     6.4917  -11.4667
            14  C1y C     6.4833  -12.3042
            15  C1x C     7.2045  -12.7301
            16  C1x C     7.9339  -12.3186
            17  C1x C     7.9423  -11.4811
            18  C1x C     7.2211  -11.0551
BOND        21
            1    10   9 1 #Up
            2    10   5 1
            3    10  11 1
            4     8  14 1
            5    11  13 1
            6     1   2 1
            7     2   3 2
            8     1  12 2
            9     3   6 1
            10    5   4 1
            11    4   1 1
            12    5   6 1
            13    6   7 1
            14    7   8 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  13 1
            21    8   9 1 #Up


entry: C10776
name: --- - Nuttalline
formula: C15H24N2O2
kcf:
ATOM        19
            1   C1y C     3.0875  -11.4792
            2   C1x C     3.0875  -12.3042
            3   C5x C     3.8037  -12.7167
            4   C1x C     3.8037  -11.0667
            5   C1y C     4.5157  -11.4792
            6   N1y N     4.5122  -12.3042
            7   C1x C     5.2249  -12.7197
            8   C1y C     5.9411  -12.3103
            9   C1x C     5.9446  -11.4853
            10  C1y C     5.2319  -11.0697
            11  C1x C     5.9417  -10.6500
            12  O5x O     3.7958  -13.5417
            13  N1y N     6.6583  -11.0542
            14  C1y C     6.6500  -11.8917
            15  C1x C     7.3711  -12.3176
            16  C1x C     8.1006  -11.9061
            17  C1x C     8.1089  -11.0686
            18  C1x C     7.3878  -10.6426
            19  O1a O     2.3708  -11.0667
BOND        22
            1    10   5 1
            2    10  11 1
            3     8  14 1
            4    11  13 1
            5     1   2 1
            6     3  12 2
            7     2   3 1
            8     3   6 1
            9     5   4 1
            10    4   1 1
            11    5   6 1
            12    6   7 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  13 1
            19    7   8 1
            20    8   9 1 #Up
            21    1  19 1 #Up
            22   10   9 1 #Up


entry: C10777
name: --- - (-)-Ormosanine
formula: C20H35N3
kcf:
ATOM        23
            1   C1x C     2.5500  -11.1583
            2   C1x C     2.5500  -11.9833
            3   C1x C     3.2662  -12.3958
            4   C1x C     3.2662  -10.7458
            5   C1y C     3.9782  -11.1583
            6   N1y N     3.9747  -11.9833
            7   C1x C     4.6874  -12.3989
            8   C1z C     5.4036  -11.9894
            9   C1x C     5.4071  -11.1644
            10  C1y C     4.6944  -10.7489
            11  C1x C     5.4042  -10.3292
            12  C1y C     6.1208  -10.7333
            13  C1y C     6.1125  -11.5708
            14  N1x N     6.8336  -11.9968
            15  C1x C     7.5631  -11.5853
            16  C1x C     7.5714  -10.7478
            17  C1x C     6.8503  -10.3218
            18  C1y C     5.4074  -12.8103
            19  C1x C     4.6948  -13.2261
            20  C1x C     4.6986  -14.0511
            21  C1x C     5.4149  -14.4603
            22  C1x C     6.1275  -14.0446
            23  N1x N     6.1237  -13.2196
BOND        27
            1     2   3 1
            2     3   6 1
            3     5   4 1
            4     4   1 1
            5     5   6 1
            6    12  13 1
            7    13  14 1
            8    14  15 1
            9    15  16 1
            10   16  17 1
            11   17  12 1
            12    6   7 1
            13    7   8 1
            14    8   9 1 #Down
            15   10   9 1 #Down
            16   10   5 1
            17   10  11 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  18 1
            24    8  18 1
            25    8  13 1
            26   11  12 1
            27    1   2 1


entry: C10778
name: --- - Panamine
formula: C20H33N3
kcf:
ATOM        23
            1   C1x C     2.5500  -11.3708
            2   C1x C     2.5500  -12.1958
            3   C1x C     3.2662  -12.6083
            4   C1x C     3.2662  -10.9583
            5   C1y C     3.9782  -11.3708
            6   N1y N     3.9747  -12.1958
            7   C1x C     4.6874  -12.6114
            8   C1x C     5.4071  -11.3769
            9   C1y C     4.6944  -10.9614
            10  C1x C     5.4042  -10.5417
            11  C1y C     6.1208  -10.9458
            12  C1x C     7.5631  -11.7978
            13  C1x C     7.5714  -10.9603
            14  C1x C     6.8503  -10.5343
            15  C1y C     6.1125  -11.7833
            16  C1z C     5.4034  -12.1975
            17  C1y C     6.8298  -13.0115
            18  N1y N     6.8257  -12.1903
            19  N1x N     6.1207  -13.4256
            20  C1y C     5.4112  -13.0165
            21  C1x C     5.4042  -13.8375
            22  C1x C     6.8250  -13.8333
            23  C1x C     6.1167  -14.2458
BOND        28
            1     2   3 1
            2     3   6 1
            3    11  15 1
            4    18  12 1
            5    12  13 1
            6    13  14 1
            7    14  11 1
            8     5   4 1
            9     5   6 1
            10    6   7 1
            11    7  16 1
            12   16   8 1 #Down
            13   15  16 1
            14   16  20 1
            15   17  19 1 #Up
            16   17  18 1
            17   18  15 1
            18    9   8 1 #Down
            19    9   5 1
            20    4   1 1
            21    9  10 1
            22   20  19 1 #Up
            23   10  11 1
            24   20  21 1
            25   17  22 1
            26    1   2 1
            27   21  23 1
            28   23  22 1


entry: C10779
name: --- - Piptanthine
formula: C20H35N3
kcf:
ATOM        23
            1   C1x C     2.5500  -11.1583
            2   C1x C     2.5500  -11.9833
            3   C1x C     3.2662  -12.3958
            4   C1x C     3.2662  -10.7458
            5   C1y C     3.9782  -11.1583
            6   N1y N     3.9747  -11.9833
            7   C1x C     4.6874  -12.3989
            8   C1z C     5.4036  -11.9894
            9   C1x C     5.4071  -11.1644
            10  C1y C     4.6944  -10.7489
            11  C1x C     5.4042  -10.3292
            12  C1y C     6.1208  -10.7333
            13  C1y C     6.1125  -11.5708
            14  N1x N     6.8336  -11.9968
            15  C1x C     7.5631  -11.5853
            16  C1x C     7.5714  -10.7478
            17  C1x C     6.8503  -10.3218
            18  C1y C     5.4074  -12.8103
            19  C1x C     4.6948  -13.2261
            20  C1x C     4.6986  -14.0511
            21  C1x C     5.4149  -14.4603
            22  C1x C     6.1275  -14.0446
            23  N1x N     6.1237  -13.2196
BOND        27
            1     2   3 1
            2     3   6 1
            3     5   4 1
            4     4   1 1
            5     5   6 1
            6    12  13 1
            7    13  14 1
            8    14  15 1
            9    15  16 1
            10   16  17 1
            11   17  12 1
            12    6   7 1
            13    7   8 1
            14    8   9 1 #Up
            15   10   9 1 #Up
            16   10   5 1
            17   10  11 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  18 1
            24    8  18 1
            25    8  13 1
            26   11  12 1
            27    1   2 1


entry: C10780
name: --- - Retamine
formula: C15H26N2O
kcf:
ATOM        18
            1   C1x C     2.5500  -11.6792
            2   C1x C     2.5500  -12.5042
            3   C1x C     3.2662  -12.9167
            4   C1x C     3.2662  -11.2667
            5   C1y C     3.9782  -11.6792
            6   N1y N     3.9747  -12.5042
            7   C1x C     4.6874  -12.9197
            8   C1y C     5.4036  -12.5103
            9   C1x C     5.4071  -11.6853
            10  C1y C     4.6944  -11.2697
            11  C1x C     5.4042  -10.8500
            12  N1y N     6.1208  -11.2542
            13  C1y C     6.1125  -12.0917
            14  C1y C     6.8336  -12.5176
            15  C1x C     7.5631  -12.1061
            16  C1x C     7.5714  -11.2686
            17  C1x C     6.8503  -10.8426
            18  O1a O     6.8292  -13.3417
BOND        21
            1    10   9 1 #Down
            2    10   5 1
            3    10  11 1
            4     8  13 1
            5    11  12 1
            6     1   2 1
            7     2   3 1
            8     3   6 1
            9     5   4 1
            10    4   1 1
            11    5   6 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  12 1
            18    6   7 1
            19    7   8 1
            20    8   9 1 #Down
            21   14  18 1 #Down


entry: C10781
formula: C15H20N2O
name:
--- 
- Rhombifoline
- (1R)-3-(3-Butenyl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2- a][1,4]diazocin-8-one

kcf:
ATOM        18
            1   C8x C     1.5833  -11.4625
            2   C8x C     1.5833  -12.2917
            3   C8y C     2.3037  -12.7083
            4   C8x C     2.3037  -11.0500
            5   C8y C     3.0199  -11.4625
            6   N4y N     3.0163  -12.2917
            7   C1x C     3.7290  -12.7114
            8   C1y C     4.4494  -12.2978
            9   C1x C     4.4530  -11.4686
            10  C1y C     3.7361  -11.0531
            11  C1x C     4.4500  -10.6292
            12  N1y N     5.1708  -11.0375
            13  C1x C     5.1625  -11.8792
            14  O5x O     2.2958  -13.5375
            15  C1b C     5.8875  -10.6167
            16  C1b C     6.6042  -11.0333
            17  C2b C     7.3208  -10.6167
            18  C2a C     8.0375  -11.0333
BOND        20
            1     7   8 1
            2     8   9 1 #Down
            3    10   9 1 #Down
            4    10   5 1
            5    10  11 1
            6     8  13 1
            7    11  12 1
            8     1   2 2
            9     2   3 1
            10   12  13 1
            11    3   6 1
            12    3  14 2
            13    5   4 2
            14   12  15 1
            15    4   1 1
            16   15  16 1
            17    5   6 1
            18   16  17 1
            19    6   7 1
            20   17  18 2


entry: C10782
name: --- - Sophoramine
formula: C15H20N2O
kcf:
ATOM        18
            1   C1x C     3.6250  -13.0042
            2   C1x C     3.6250  -13.8333
            3   C1x C     4.3454  -14.2500
            4   N1y N     5.0580  -13.8333
            5   C1x C     5.7749  -14.2530
            6   C1x C     6.4953  -13.8394
            7   C1x C     6.4988  -13.0103
            8   C1y C     4.3454  -12.5917
            9   C1y C     5.0598  -13.0072
            10  C1y C     5.7789  -12.5999
            11  C1x C     4.3501  -11.7646
            12  N4y N     5.0692  -11.3532
            13  C8y C     5.7816  -11.7720
            14  C8x C     6.4990  -11.3620
            15  C8x C     6.5040  -10.5372
            16  C8x C     5.7917  -10.1224
            17  C8y C     5.0743  -10.5283
            18  O5x O     4.3500  -10.1125
BOND        21
            1     8   9 1
            2     9  10 1
            3    10  13 1
            4    12  11 1
            5    11   8 1
            6     3   4 1
            7     9   4 1
            8     4   5 1
            9     5   6 1
            10    6   7 1
            11    7  10 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  12 1
            18    8   1 1
            19   17  18 2
            20    1   2 1
            21    2   3 1


entry: C10783
name: --- - (-)-Sparteine - Sparteine
formula: C15H26N2
kcf:
ATOM        17
            1   C1x C    13.9607  -13.2234
            2   C1x C    13.9607  -14.6201
            3   C1x C    15.1732  -15.3184
            4   C1x C    15.1732  -12.5251
            5   C1y C    16.3786  -13.2234
            6   N1y N    16.3726  -14.6201
            7   C1x C    17.5792  -15.3235
            8   C1y C    18.7917  -14.6304
            9   C1x C    18.7976  -13.2337
            10  C1y C    17.5910  -12.5301
            11  C1x C    18.7927  -11.8196
            12  N1y N    20.0059  -12.5039
            13  C1y C    20.0385  -13.9217
            14  C1x C    21.2126  -14.6428
            15  C1x C    22.4476  -13.9461
            16  C1x C    22.4616  -12.5283
            17  C1x C    21.2409  -11.8071
BOND        20
            1     8   9 1 #Up
            2    10   9 1 #Up
            3    10   5 1
            4    10  11 1
            5     8  13 1
            6    11  12 1
            7     1   2 1
            8     2   3 1
            9     3   6 1
            10    5   4 1
            11    4   1 1
            12    5   6 1
            13    6   7 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  12 1
            20    7   8 1


entry: C10784
name: --- - Cannabidiolic acid
formula: C22H30O4
kcf:
ATOM        26
            1   C1y C     5.2736   -2.9228
            2   C8y C     5.9908   -3.3332
            3   C1y C     4.5598   -3.3366
            4   C2x C     5.2736   -2.0953
            5   C8y C     5.9908   -4.1608
            6   C8y C     6.7081   -2.9194
            7   C1x C     3.8426   -2.9228
            8   C2c C     4.5633   -4.1642
            9   C2y C     4.5598   -1.6780
            10  C8x C     6.7115   -4.5780
            11  O1a O     5.9874   -4.9849
            12  C8y C     7.4288   -3.3297
            13  O1a O     6.7081   -2.0884
            14  C1x C     3.8426   -2.0953
            15  C1a C     5.2770   -4.5815
            16  C2a C     3.8426   -4.5849
            17  C1a C     4.5633   -0.8504
            18  C8y C     7.4288   -4.1608
            19  C1b C     8.1460   -4.5711
            20  C1b C     8.8633   -4.1539
            21  C1b C     9.5770   -4.5642
            22  C1b C    10.2908   -4.1504
            23  C1a C    11.0081   -4.5608
            24  C6a C     8.1420   -2.9151
            25  O6a O     8.8577   -3.3254
            26  O6a O     8.1395   -2.0901
BOND        27
            1     1   4 1
            2     2   5 2
            3     2   6 1
            4     3   7 1
            5     3   8 1 #Down
            6     4   9 2
            7     5  10 1
            8     5  11 1
            9     6  12 2
            10    6  13 1
            11    7  14 1
            12    8  15 1
            13    8  16 2
            14    9  17 1
            15   10  18 2
            16   18  19 1
            17   19  20 1
            18   20  21 1
            19   21  22 1
            20   22  23 1
            21    9  14 1
            22   12  18 1
            23   12  24 1
            24    1   2 1
            25   24  25 2
            26    1   3 1
            27   24  26 1


entry: C10785
name: --- - (15:1)-Cardanol
formula: C21H34O
kcf:
ATOM        22
            1   C8x C     1.4792  -12.1792
            2   C8x C     1.4792  -13.0083
            3   C8x C     2.1995  -13.4250
            4   C8y C     2.9115  -13.0083
            5   C8x C     2.9115  -12.1792
            6   C8y C     2.1995  -11.7667
            7   C1b C     3.6305  -13.4245
            8   C1b C     4.3458  -13.0042
            9   C1b C     5.0625  -13.4208
            10  C1b C     5.7792  -13.0042
            11  C1b C     6.4958  -13.4208
            12  C1b C     7.2125  -13.0042
            13  C1b C     7.9250  -13.4208
            14  C2b C     8.6417  -13.0042
            15  C2b C     8.6375  -12.1750
            16  C1b C     7.9168  -11.7661
            17  C1b C     7.2042  -12.1750
            18  C1b C     6.4875  -11.7625
            19  C1b C     5.7708  -12.1750
            20  C1b C     5.0542  -11.7625
            21  C1a C     4.3375  -12.1750
            22  O1a O     2.2006  -10.9375
BOND        22
            1    10  11 1
            2     5   6 2
            3    11  12 1
            4     6   1 1
            5    12  13 1
            6    13  14 1
            7     4   7 1
            8    14  15 2
            9     1   2 2
            10   15  16 1
            11    7   8 1
            12   16  17 1
            13    2   3 1
            14   17  18 1
            15    8   9 1
            16   18  19 1
            17    3   4 2
            18   19  20 1
            19    9  10 1
            20   20  21 1
            21    4   5 1
            22    6  22 1


entry: C10787
name: --- - 2,6-Dimethoxyphenol - Pyrogallol 1,3-dimethyl ether
formula: C8H10O3
kcf:
ATOM        11
            1   C8x C     4.0881  -13.0117
            2   C8x C     4.8002  -13.4394
            3   C8x C     5.5260  -13.0324
            4   C8y C     5.5376  -12.2055
            5   C8y C     4.8255  -11.7819
            6   C8y C     4.1018  -12.1811
            7   O2a O     3.3902  -11.7567
            8   C1a C     3.4040  -10.9276
            9   O1a O     4.8389  -10.9528
            10  O2a O     6.2581  -11.8036
            11  C1a C     6.2703  -10.9745
BOND        11
            1     5   6 2
            2     6   1 1
            3     6   7 1
            4     1   2 2
            5     7   8 1
            6     2   3 1
            7     5   9 1
            8     3   4 2
            9     4  10 1
            10    4   5 1
            11   10  11 1


entry: C10788
name: --- - Ellagic acid
formula: C14H6O8
kcf:
ATOM        22
            1   C8x C     3.2708  -12.3042
            2   C8y C     3.2708  -13.1333
            3   C8y C     3.9912  -13.5500
            4   C8y C     4.7038  -13.1333
            5   O7x O     5.4165  -13.5530
            6   C8y C     6.1369  -13.1394
            7   C8y C     3.9912  -11.8917
            8   C8y C     4.7056  -12.3072
            9   O7x O     4.7151  -10.6532
            10  C8y C     3.9959  -11.0646
            11  C8y C     5.4206  -11.8999
            12  C8y C     6.1370  -12.3120
            13  C8x C     6.8542  -11.9013
            14  C8y C     6.8550  -11.0742
            15  C8y C     6.1386  -10.6579
            16  C8y C     5.4214  -11.0728
            17  O7x O     3.2797  -10.6439
            18  O7x O     6.8547  -13.5576
            19  O1a O     3.9931  -14.3792
            20  O1a O     2.5524  -13.5504
            21  O1a O     6.1394   -9.8287
            22  O1a O     7.5740  -10.6582
BOND        25
            1     9  10 1
            2    10   7 1
            3     2   3 1
            4     8   4 1
            5     4   5 1
            6     5   6 1
            7     6  12 1
            8     3   4 2
            9    11  12 1
            10   12  13 2
            11   13  14 1
            12   14  15 2
            13   15  16 1
            14   16  11 2
            15    7   1 1
            16   10  17 2
            17    6  18 2
            18    1   2 2
            19    3  19 1
            20    7   8 2
            21    2  20 1
            22    8  11 1
            23   15  21 1
            24   16   9 1
            25   14  22 1


entry: C10790
name: --- - Tinctorine
formula: C15H20N2O
kcf:
ATOM        18
            1   C8x C     1.9458  -11.4833
            2   C8x C     1.9458  -12.3125
            3   C8y C     2.6662  -12.7292
            4   C8x C     2.6662  -11.0708
            5   C8y C     3.3824  -11.4833
            6   N4y N     3.3788  -12.3125
            7   C1x C     4.0957  -12.7322
            8   C1y C     4.8161  -12.3186
            9   C1x C     4.8196  -11.4894
            10  C1y C     4.1028  -11.0739
            11  C1x C     4.8167  -10.6500
            12  C1y C     5.5292  -11.9000
            13  N1y N     5.5375  -11.0583
            14  O5x O     2.6583  -13.5583
            15  C1b C     6.2417  -12.3125
            16  C2b C     6.9583  -11.9000
            17  C2a C     7.6750  -12.3083
            18  C1a C     6.2500  -10.6375
BOND        20
            1     7   8 1
            2     8   9 1 #Down
            3    10   9 1 #Down
            4    10   5 1
            5    10  11 1
            6     1   2 2
            7     8  12 1
            8     2   3 1
            9    11  13 1
            10   13  12 1
            11    3   6 1
            12    3  14 2
            13    5   4 2
            14   12  15 1 #Down
            15    4   1 1
            16   15  16 1
            17    5   6 1
            18   16  17 2
            19    6   7 1
            20   13  18 1


entry: C10791
name: --- - Tsukushinamine A
formula: C15H20N2O
kcf:
ATOM        18
            1   C2x C     4.4500  -12.0042
            2   C1x C     4.4500  -12.7750
            3   C5x C     5.1162  -13.1583
            4   C2x C     5.1162  -11.6167
            5   N1y N     5.7788  -12.7750
            6   C1x C     6.4457  -13.1614
            7   C1y C     7.1161  -12.7811
            8   C1x C     7.1155  -12.0103
            9   C1z C     5.7824  -12.0042
            10  C1y C     6.4555  -11.6165
            11  C1x C     6.2934  -10.8593
            12  N1y N     5.5234  -10.7791
            13  C1y C     5.2094  -11.4813
            14  O5x O     5.1083  -13.9292
            15  C1x C     6.3625  -12.5750
            16  C1b C     4.6583  -10.9333
            17  C2b C     3.8917  -10.9333
            18  C2a C     3.5083  -10.2667
BOND        21
            1     9   4 1 #Down
            2     4   1 2
            3     1   2 1
            4     2   3 1
            5     9  10 1
            6    10  11 1
            7    11  12 1
            8    12  13 1
            9    13   9 1
            10    3   5 1
            11    3  14 2
            12    9   5 1
            13    7  15 1 #Up
            14   12  15 1 #Up
            15    5   6 1
            16    6   7 1
            17   13  16 1 #Up
            18    7   8 1
            19   16  17 1
            20    8  10 1
            21   17  18 2


entry: C10792
name: --- - Gentisyl alcohol - 2,5-Dihydroxybenzyl alcohol
formula: C7H8O3
kcf:
ATOM        10
            1   C8y C     4.3482  -13.1389
            2   C8x C     5.0692  -13.5516
            3   C8x C     5.7863  -13.1294
            4   C8y C     5.7805  -12.3024
            5   C8y C     5.0595  -11.8939
            6   C8x C     4.3444  -12.3083
            7   O1a O     3.6317  -13.5592
            8   C1b C     5.0555  -11.0647
            9   O1a O     5.7721  -10.6446
            10  O1a O     6.4965  -11.8853
BOND        10
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     1   7 1
            5     1   2 2
            6     5   8 1
            7     2   3 1
            8     8   9 1
            9     3   4 2
            10    4  10 1


entry: C10793
name: --- - Geranylhy droquinone
formula: C16H22O2
kcf:
ATOM        18
            1   C8x C     1.2292  -11.6875
            2   C8x C     1.2292  -12.5167
            3   C8y C     1.9495  -12.9333
            4   C8x C     2.6657  -12.5167
            5   C8y C     2.6657  -11.6875
            6   C8y C     1.9495  -11.2750
            7   C1b C     3.3792  -11.2750
            8   C2b C     4.0958  -11.6833
            9   C2c C     4.8125  -11.2708
            10  C1b C     5.5292  -11.6792
            11  C1b C     6.2417  -11.2667
            12  C2b C     6.9583  -11.6750
            13  C2c C     7.6750  -11.2625
            14  C1a C     8.3917  -11.6708
            15  O1a O     1.9506  -10.4458
            16  O1a O     1.9506  -13.7625
            17  C1a C     4.8107  -10.4417
            18  C1a C     7.6732  -10.4333
BOND        18
            1     8   9 2
            2     3   4 2
            3     9  10 1
            4     4   5 1
            5    10  11 1
            6     5   6 2
            7    11  12 1
            8     6   1 1
            9    12  13 2
            10   13  14 1
            11    5   7 1
            12    6  15 1
            13    1   2 2
            14    3  16 1
            15    7   8 1
            16    9  17 1
            17    2   3 1
            18   13  18 1


entry: C10794
name: --- - Ginkgoic acid - Ginkgolic acid
formula: C22H34O3
kcf:
ATOM        25
            1   C8x C     0.9667   -4.1417
            2   C8x C     0.9667   -4.9708
            3   C8x C     1.6870   -5.3875
            4   C8y C     2.3990   -4.9708
            5   C8y C     2.3990   -4.1417
            6   C8y C     1.6870   -3.7292
            7   C1b C     3.1180   -5.3870
            8   C1b C     3.8333   -4.9667
            9   C1b C     4.5500   -5.3833
            10  C1b C     5.2667   -4.9667
            11  C1b C     5.9833   -5.3833
            12  C1b C     6.7000   -4.9667
            13  C1b C     7.4125   -5.3833
            14  C2b C     8.1292   -4.9667
            15  C2b C     8.1250   -4.1375
            16  C1b C     7.4043   -3.7286
            17  C1b C     6.6917   -4.1375
            18  C1b C     5.9750   -3.7250
            19  C1b C     5.2583   -4.1375
            20  C1b C     4.5417   -3.7250
            21  O1a O     1.6881   -2.9000
            22  C1a C     4.5406   -2.9000
            23  C6a C     3.1138   -3.7297
            24  O6a O     3.8279   -4.1428
            25  O6a O     3.1144   -2.9047
BOND        25
            1     6   1 1
            2    12  13 1
            3    13  14 1
            4     4   7 1
            5    14  15 2
            6     1   2 2
            7    15  16 1
            8     7   8 1
            9    16  17 1
            10    2   3 1
            11   17  18 1
            12    8   9 1
            13   18  19 1
            14    3   4 2
            15   19  20 1
            16    9  10 1
            17    4   5 1
            18    6  21 1
            19   20  22 1
            20   10  11 1
            21    5  23 1
            22    5   6 2
            23   23  24 2
            24   11  12 1
            25   23  25 1


entry: C10795
name: --- - Buxamine E
formula: C26H44N2
kcf:
ATOM        28
            1   C1y C     7.1378  -10.1273
            2   C2x C     5.0417  -10.5334
            3   C1x C     5.7412  -10.1250
            4   C2y C     5.0410  -11.3452
            5   C1y C     5.7412  -11.7459
            6   C1x C     5.8721  -12.5498
            7   C2x C     4.2822  -11.6465
            8   C1x C     5.3250  -13.1511
            9   C1y C     4.5156  -13.0935
            10  C2y C     4.0555  -12.4243
            11  C1x C     3.2413  -12.4928
            12  C1x C     2.8956  -13.2262
            13  C1y C     3.3599  -13.8955
            14  C1z C     4.1700  -13.8312
            15  C1a C     6.4333   -9.7209
            16  C1a C     6.4291  -12.1458
            17  C1a C     3.9541  -14.6083
            18  C1a C     4.7375  -14.4000
            19  N1c N     2.9500  -14.5916
            20  C1a C     3.3500  -15.2875
            21  C1a C     2.1416  -14.5875
            22  C1z C     6.4372  -10.5333
            23  C1z C     6.4358  -11.3393
            24  C1x C     7.8315  -11.3416
            25  C1x C     7.8329  -10.5357
            26  C1c C     7.1391   -9.3190
            27  C1a C     6.4379   -8.9137
            28  N1a N     7.8376   -8.9160
BOND        31
            1    14   9 1
            2     2   4 2
            3     4   5 1
            4     5  23 1
            5     5   6 1
            6    22   3 1
            7    22  15 1 #Up
            8     4   7 1
            9    23  16 1 #Down
            10    3   2 1
            11    6   8 1
            12    7  10 2
            13   14  17 1
            14    8   9 1
            15   14  18 1
            16   13  19 1 #Up
            17   19  20 1
            18   19  21 1
            19    9  10 1
            20   10  11 1
            21   22  23 1
            22   24  25 1
            23   25   1 1
            24    1  22 1
            25   23  24 1
            26   11  12 1
            27    1  26 1
            28   12  13 1
            29   26  27 1
            30   13  14 1
            31   26  28 1 #Down


entry: C10796
name: --- - alpha-Chaconine
formula: C45H73NO14
kcf:
ATOM        60
            1   C1y C    -1.6333  -13.9875
            2   C1y C    -1.6333  -14.8083
            3   C1y C    -0.9213  -15.2167
            4   C1y C    -0.2093  -14.8083
            5   C1y C    -0.2093  -13.9875
            6   O2x O    -0.9213  -13.5750
            7   C1a C    -2.3500  -13.5750
            8   O1a O    -2.3500  -15.2125
            9   O1a O    -0.9292  -16.0375
            10  O1a O     0.4916  -15.2167
            11  O2a O     0.5958  -13.6125
            12  C1y C     4.3208  -14.1750
            13  C1y C     5.0257  -13.7688
            14  O2x O     4.3173  -14.9984
            15  C1y C     5.7402  -14.1812
            16  O1a O     5.0335  -12.9461
            17  C1y C     5.0199  -15.4111
            18  C1y C     5.7336  -15.0063
            19  O1a O     6.4509  -13.7781
            20  C1a C     5.0138  -16.2439
            21  O1a O     6.4417  -15.4143
            22  O2a O     3.5000  -13.6542
            23  C1x C     4.4000  -10.5791
            24  C1y C     4.4000  -11.4000
            25  C1x C     5.1162  -11.8083
            26  C1x C     5.1162  -10.1667
            27  C1z C     5.8198  -10.5791
            28  C2y C     5.8163  -11.4000
            29  C2x C     6.5291  -11.8113
            30  C1x C     7.2411  -11.4061
            31  C1y C     6.5361  -10.1698
            32  C1y C     7.2411  -10.5870
            33  C1x C     7.2546   -8.9497
            34  C1x C     6.5429   -9.3510
            35  C1z C     7.9597   -9.3627
            36  C1y C     7.9543  -10.1845
            37  C1x C     8.7340  -10.4407
            38  C1y C     8.7426   -9.1127
            39  C1y C     9.2250   -9.7846
            40  C1y C     9.2326   -8.4503
            41  C1y C    10.0095   -8.7063
            42  N1y N    10.0041   -9.5333
            43  C1x C    10.7176   -9.9473
            44  C1y C    11.4324   -9.5385
            45  C1x C    11.4378   -8.7157
            46  C1x C    10.7284   -8.3016
            47  C1y C     1.3667  -13.1833
            48  C1y C     2.0750  -13.5917
            49  C1y C     2.7894  -12.3659
            50  O2x O     2.0770  -11.9534
            51  C1y C     1.3677  -12.3642
            52  C1y C     2.7875  -13.1791
            53  C1b C     0.6542  -11.9500
            54  O1a O     0.6500  -11.1292
            55  O2a O     3.6667  -11.8458
            56  C1a C     5.8125   -9.7583
            57  C1a C     7.9542   -8.5417
            58  C1a C     9.0125   -7.6542
            59  C1a C    12.1417   -9.9500
            60  O1a O     2.0758  -14.4250
BOND        68
            1    12  22 1 #Up
            2     4  10 1 #Down
            3     5  11 1 #Up
            4     1   2 1
            5     2   3 1
            6     3   4 1
            7     4   5 1
            8     5   6 1
            9     6   1 1
            10    1   7 1 #Down
            11    2   8 1 #Up
            12    3   9 1 #Down
            13   13  16 1 #Down
            14   14  17 1
            15   15  18 1
            16   15  19 1 #Down
            17   17  20 1 #Down
            18   18  21 1 #Up
            19   17  18 1
            20   12  13 1
            21   12  14 1
            22   27  28 1
            23   35  36 1
            24   36  37 1
            25   37  39 1
            26   38  35 1
            27   28  29 2
            28   29  30 1
            29   30  32 1
            30   38  39 1
            31   47  48 1
            32   49  50 1
            33   50  51 1
            34   51  47 1
            35   39  42 1
            36   41  40 1
            37   40  38 1
            38   31  27 1
            39   27  26 1
            40   26  23 1
            41   23  24 1
            42   31  32 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   49  52 1
            48   52  48 1
            49   45  46 1
            50   52  22 1 #Down
            51   46  41 1
            52   51  53 1 #Up
            53   32  36 1
            54   53  54 1
            55   35  33 1
            56   49  55 1 #Up
            57   24  55 1 #Up
            58   33  34 1
            59   27  56 1 #Up
            60   34  31 1
            61   24  25 1
            62   25  28 1
            63   35  57 1 #Up
            64   40  58 1 #Down
            65   44  59 1 #Down
            66   47  11 1 #Down
            67   13  15 1
            68   48  60 1 #Up


entry: C10797
name: --- - Cyclobuxine D - Cyclobuxine
formula: C25H42N2O
kcf:
ATOM        28
            1   C1y C     7.1460  -10.8930
            2   C1x C     5.7387  -10.8887
            3   C1y C     5.7249  -12.5084
            4   C1x C     5.0297  -11.2837
            5   C1z C     5.0228  -12.0955
            6   C1x C     5.7249  -13.3201
            7   C1z C     4.3216  -12.5015
            8   C1x C     5.0159  -13.7221
            9   C1y C     4.3181  -13.3133
            10  C1x C     3.6203  -12.0920
            11  C1x C     4.3189  -11.6900
            12  C2y C     3.6203  -13.7186
            13  C1x C     2.9149  -12.5015
            14  C1y C     2.9149  -13.3133
            15  N1b N     2.2100  -13.7186
            16  C1a C     1.5045  -13.3133
            17  C1a C     6.4157  -12.9208
            18  C2a C     3.6125  -14.5250
            19  C1a C     6.4291  -10.4875
            20  C1z C     6.4330  -11.2956
            21  C1z C     6.4261  -12.1127
            22  C1x C     7.8410  -12.1246
            23  C1y C     7.8479  -11.3075
            24  C1c C     7.1528  -10.0847
            25  C1a C     6.4542   -9.6747
            26  N1b N     7.8539   -9.6865
            27  C1a C     8.5525  -10.0965
            28  O1a O     8.5532  -10.9092
BOND        32
            1     7  11 1 #Up
            2     9  12 1
            3    10  13 1
            4    12  14 1
            5    14  15 1 #Up
            6    15  16 1
            7     4   5 1
            8     8   9 1
            9    13  14 1
            10   21  17 1 #Down
            11   12  18 2
            12    5  11 1 #Up
            13   20  19 1 #Up
            14   20   2 1
            15   21   3 1
            16    2   4 1
            17    3   5 1
            18   20  21 1
            19   22  23 1
            20   23   1 1
            21    1  20 1
            22   21  22 1
            23    3   6 1
            24    1  24 1
            25    5   7 1
            26   24  25 1
            27    6   8 1
            28   24  26 1 #Down
            29    7   9 1
            30   26  27 1
            31    7  10 1
            32   23  28 1 #Down


entry: C10798
name: --- - Cyclopamine
formula: C27H41NO2
kcf:
ATOM        30
            1   C1z C     6.2680  -11.7251
            2   O2x O     7.0932  -11.7247
            3   C1y C     6.0139  -10.9445
            4   C1x C     1.8000  -13.6125
            5   C1y C     1.8000  -14.4417
            6   C1x C     2.5204  -14.8542
            7   C1x C     2.5204  -13.1958
            8   C1z C     3.2365  -13.6125
            9   C2y C     3.2330  -14.4417
            10  C2x C     3.9499  -14.8572
            11  C1x C     4.6703  -14.4478
            12  C1y C     3.9569  -13.1989
            13  C1y C     4.6768  -13.6189
            14  C1x C     4.1312  -12.3856
            15  C2y C     4.9587  -12.3013
            16  C1y C     5.2898  -13.0591
            17  C1x C     6.1122  -13.1491
            18  C1x C     6.6034  -12.4814
            19  C2y C     5.4458  -11.6336
            20  C1y C     6.6819  -10.4575
            21  C1y C     7.3484  -10.9429
            22  C1x C     8.1006  -10.6059
            23  C1y C     8.1862   -9.7875
            24  C1x C     7.5197   -9.3062
            25  N1x N     6.7676   -9.6391
            26  C1a C     3.2292  -12.7833
            27  C1a C     5.0250  -10.9125
            28  C1a C     5.5958  -10.2208
            29  C1a C     8.9000   -9.3667
            30  O1a O     1.0792  -14.8500
BOND        35
            1     7   4 1
            2     3   1 1
            3    15  16 1
            4    16  17 1
            5    17  18 1
            6    18   1 1
            7     1  19 1
            8    19  15 2
            9     1   2 1 #Up
            10    2  21 1
            11    8   9 1
            12    9  10 2
            13   10  11 1
            14   11  13 1
            15   20  21 1
            16   21  22 1
            17   22  23 1
            18   23  24 1
            19   24  25 1
            20   25  20 1
            21   12   8 1
            22    8  26 1 #Up
            23   20   3 1
            24    4   5 1
            25    5   6 1
            26   12  13 1
            27   19  27 1
            28   13  16 1
            29    3  28 1 #Down
            30   15  14 1
            31   14  12 1
            32   23  29 1 #Up
            33    6   9 1
            34    8   7 1
            35    5  30 1 #Up


entry: C10799
name: --- - Cycloprotobuxine C
formula: C27H48N2
kcf:
ATOM        29
            1   C1y C     7.1501  -11.2931
            2   C1x C     5.7429  -11.2886
            3   C1y C     5.7291  -12.9085
            4   C1x C     5.0339  -11.6837
            5   C1z C     5.0270  -12.4954
            6   C1x C     5.7291  -13.7200
            7   C1z C     4.3299  -12.9016
            8   C1x C     5.0201  -14.1221
            9   C1y C     4.3264  -13.7132
            10  C1x C     3.6244  -12.4919
            11  C1x C     4.3230  -12.0900
            12  C1z C     3.6244  -14.1186
            13  C1x C     2.9232  -12.9016
            14  C1y C     2.9232  -13.7132
            15  N1b N     2.2142  -14.1186
            16  C1a C     6.4241  -13.3209
            17  C1a C     6.4333  -10.8875
            18  C1a C     1.5083  -13.7125
            19  C1a C     3.2125  -14.8167
            20  C1a C     3.8292  -14.8958
            21  C1z C     6.4372  -11.6956
            22  C1z C     6.4303  -12.5126
            23  C1x C     7.8493  -12.5245
            24  C1x C     7.8561  -11.7075
            25  C1c C     7.1569  -10.4848
            26  C1a C     6.4583  -10.0747
            27  N1c N     7.8622  -10.0865
            28  C1a C     8.5566  -10.4965
            29  C1a C     7.8690   -9.2740
BOND        33
            1    10  13 1
            2    12  14 1
            3    14  15 1 #Up
            4     4   5 1
            5     8   9 1
            6    13  14 1
            7    22  16 1 #Down
            8     5  11 1 #Up
            9    21  17 1 #Up
            10   21   2 1
            11   22   3 1
            12   15  18 1
            13   12  19 1
            14    2   4 1
            15   12  20 1
            16    3   5 1
            17    3   6 1
            18    5   7 1
            19   21  22 1
            20   23  24 1
            21   24   1 1
            22    1  21 1
            23   22  23 1
            24    6   8 1
            25    1  25 1
            26    7   9 1
            27   25  26 1
            28    7  10 1
            29   25  27 1 #Down
            30    7  11 1 #Up
            31   27  28 1
            32    9  12 1
            33   27  29 1


entry: C10800
name: --- - Grevillol
formula: C19H32O2
kcf:
ATOM        21
            1   C8x C    -0.0208  -12.0542
            2   C8y C    -0.0208  -12.8833
            3   C8x C     0.6995  -13.2958
            4   C8y C     1.4157  -12.8833
            5   C8x C     1.4157  -12.0542
            6   C8y C     0.6995  -11.6375
            7   O1a O     0.7006  -10.8083
            8   O1a O    -0.7393  -13.2962
            9   C1b C     2.1250  -13.2917
            10  C1b C     2.8417  -12.8792
            11  C1b C     3.5583  -13.2875
            12  C1b C     4.2750  -12.8750
            13  C1b C     4.9917  -13.2833
            14  C1b C     5.7083  -12.8708
            15  C1b C     6.4250  -13.2792
            16  C1b C     7.1417  -12.8667
            17  C1b C     7.8542  -13.2750
            18  C1b C     8.5708  -12.8625
            19  C1b C     9.2875  -13.2708
            20  C1b C    10.0042  -12.8583
            21  C1a C    10.7208  -13.2667
BOND        21
            1     4   5 1
            2    10  11 1
            3     5   6 2
            4    11  12 1
            5     6   1 1
            6    12  13 1
            7    13  14 1
            8     6   7 1
            9    14  15 1
            10    1   2 2
            11   15  16 1
            12    2   8 1
            13   16  17 1
            14    2   3 1
            15   17  18 1
            16    4   9 1
            17   18  19 1
            18    3   4 2
            19   19  20 1
            20    9  10 1
            21   20  21 1


entry: C10801
name: --- - Cyclovirobuxine C
formula: C27H48N2O
kcf:
ATOM        30
            1   C1y C     7.1459  -11.2931
            2   C1x C     5.7387  -11.2886
            3   C1y C     5.7249  -12.9085
            4   C1x C     5.0297  -11.6837
            5   C1z C     5.0228  -12.4954
            6   C1x C     5.7249  -13.7200
            7   C1z C     4.3216  -12.9016
            8   C1x C     5.0159  -14.1221
            9   C1y C     4.3181  -13.7132
            10  C1x C     3.6203  -12.4919
            11  C1x C     4.3189  -12.0900
            12  C1z C     3.6203  -14.1186
            13  C1x C     2.9149  -12.9016
            14  C1y C     2.9149  -13.7132
            15  N1b N     2.2100  -14.1186
            16  C1a C     6.4157  -13.3209
            17  C1a C     6.4291  -10.8875
            18  C1a C     1.5041  -13.7125
            19  C1a C     3.2083  -14.8167
            20  C1a C     3.8250  -14.8958
            21  C1z C     6.4330  -11.6956
            22  C1z C     6.4261  -12.5126
            23  C1x C     7.8409  -12.5245
            24  C1y C     7.8478  -11.7075
            25  C1c C     7.1527  -10.4848
            26  C1a C     6.4542  -10.0747
            27  N1c N     7.8539  -10.0865
            28  C1a C     8.5525  -10.4965
            29  C1a C     7.8607   -9.2782
            30  O1a O     8.5532  -11.3093
BOND        34
            1    14  15 1 #Up
            2     4   5 1
            3     8   9 1
            4    13  14 1
            5    22  16 1 #Down
            6     5  11 1 #Up
            7    21  17 1 #Up
            8    21   2 1
            9    22   3 1
            10   15  18 1
            11   12  19 1
            12    2   4 1
            13   12  20 1
            14    3   5 1
            15    3   6 1
            16    5   7 1
            17    6   8 1
            18   21  22 1
            19   23  24 1
            20   24   1 1
            21    1  21 1
            22   22  23 1
            23    7   9 1
            24    1  25 1
            25    7  10 1
            26   25  26 1
            27    7  11 1 #Up
            28   25  27 1 #Down
            29    9  12 1
            30   27  28 1
            31   10  13 1
            32   27  29 1
            33   12  14 1
            34   24  30 1 #Down


entry: C10802
name: --- - 5-(Heptadec-12-enyl)resorcinol
formula: C23H38O2
kcf:
ATOM        25
            1   C8x C     0.5875  -12.1000
            2   C8y C     0.5875  -12.9292
            3   C8x C     1.3037  -13.3417
            4   C8y C     2.0199  -12.9292
            5   C8x C     2.0199  -12.1000
            6   C8y C     1.3037  -11.6833
            7   O1a O     1.3047  -10.8542
            8   O1a O    -0.1309  -13.3420
            9   C1b C     2.7333  -13.3375
            10  C1b C     3.4500  -12.9250
            11  C1b C     4.1667  -13.3333
            12  C1b C     4.8833  -12.9208
            13  C1b C     5.6000  -13.3292
            14  C1b C     6.3167  -12.9167
            15  C1b C     7.0292  -13.3250
            16  C1b C     7.7458  -12.9125
            17  C1b C     8.4625  -13.3208
            18  C1b C     9.1792  -12.9083
            19  C1b C     9.8958  -13.3167
            20  C2b C    10.6125  -12.9042
            21  C2b C    10.6083  -12.0750
            22  C1b C     9.8876  -11.6619
            23  C1b C     9.1708  -12.0750
            24  C1b C     8.4542  -11.6583
            25  C1a C     7.7375  -12.0750
BOND        25
            1     6   1 1
            2    12  13 1
            3    13  14 1
            4     6   7 1
            5    14  15 1
            6     1   2 2
            7    15  16 1
            8     2   8 1
            9    16  17 1
            10    2   3 1
            11   17  18 1
            12    4   9 1
            13   18  19 1
            14    3   4 2
            15   19  20 1
            16    9  10 1
            17   20  21 2
            18    4   5 1
            19   21  22 1
            20   10  11 1
            21   22  23 1
            22    5   6 2
            23   23  24 1
            24   11  12 1
            25   24  25 1


entry: C10803
name: --- - Demissine
formula: C50H83NO20
kcf:
ATOM        71
            1   C1y C     8.7983   -7.6807
            2   O2x O     8.0703   -7.2743
            3   C1y C     8.8188   -8.5119
            4   C1y C     7.3531   -7.7155
            5   C1y C     8.1037   -8.9454
            6   O1a O     9.5458   -8.9101
            7   C1y C     7.3707   -8.5443
            8   C1b C     6.6255   -7.3232
            9   O1a O     8.1141   -9.7802
            10  O2a O     6.6618   -8.9844
            11  O1a O     6.5991   -6.4784
            12  C1y C     5.9250   -8.5743
            13  C1y C     5.2139   -8.9997
            14  O2x O     5.9214   -7.7415
            15  C1y C     4.4831   -8.5857
            16  O2a O     5.2163   -9.8333
            17  C1y C     5.2127   -7.3256
            18  O2a O     3.7617   -9.0044
            19  C1y C     4.4875   -7.7416
            20  C1y C     5.2377  -10.6620
            21  C1b C     5.1950   -6.5032
            22  C1y C     3.0330   -8.5869
            23  O1a O     3.7606   -7.3346
            24  O2x O     4.5220  -11.0909
            25  C1y C     5.9630  -11.0680
            26  O2x O     3.0306   -7.7534
            27  C1y C     2.3188   -9.0076
            28  C1y C     4.5295  -11.9179
            29  C1y C     5.9712  -11.8984
            30  O1a O     6.6818  -10.6362
            31  C1x C     2.3050   -7.3364
            32  C1y C     1.5958   -8.5942
            33  O1a O     2.3199   -9.8440
            34  C1y C     5.2536  -12.3179
            35  C1b C     3.8079  -12.3398
            36  O1a O     6.6921  -12.3110
            37  C1y C     1.5811   -7.7593
            38  O1a O     0.8730   -9.0194
            39  O1a O     5.2681  -13.1527
            40  O1a O     3.0861  -11.9327
            41  O1a O     0.8643   -7.3500
            42  O2a O     9.5145   -7.2493
            43  O1a O     5.9192   -6.0705
            44  C1x C    10.2416   -6.0083
            45  C1y C    10.2416   -6.8250
            46  C1x C    10.9578   -7.2334
            47  C1x C    10.9578   -5.5916
            48  C1z C    11.6657   -6.0083
            49  C1y C    11.6580   -6.8250
            50  C1x C    12.3707   -7.2364
            51  C1x C    13.0870   -6.8353
            52  C1y C    12.3736   -5.5989
            53  C1y C    13.0870   -6.0120
            54  C1x C    13.0963   -4.3747
            55  C1x C    12.3887   -4.7719
            56  C1z C    13.8014   -4.7836
            57  C1y C    13.8002   -5.6095
            58  C1x C    14.5798   -5.8698
            59  C1y C    14.5843   -4.5418
            60  C1y C    15.0625   -5.2097
            61  C1y C    15.0743   -3.8795
            62  C1y C    15.8512   -4.1354
            63  N1y N    15.8458   -4.9583
            64  C1x C    16.5509   -5.3724
            65  C1y C    17.2699   -4.9677
            66  C1x C    17.2753   -4.1448
            67  C1x C    16.5700   -3.7308
            68  C1a C    11.6583   -5.1834
            69  C1a C    13.7958   -3.9667
            70  C1a C    14.8542   -3.0792
            71  C1a C    17.9750   -5.3750
BOND        80
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1 #Up
            9     7  10 1 #Up
            10    8  11 1
            11    1  42 1 #Up
            12   21  43 1
            13   12  10 1 #Up
            14   12  13 1
            15   12  14 1
            16   13  15 1
            17   13  16 1 #Down
            18   14  17 1
            19   15  18 1 #Up
            20   15  19 1
            21   20  16 1 #Up
            22   17  21 1 #Up
            23   22  18 1 #Up
            24   19  23 1 #Down
            25   20  24 1
            26   20  25 1
            27   22  26 1
            28   22  27 1
            29   24  28 1
            30   25  29 1
            31   25  30 1 #Down
            32   26  31 1
            33   27  32 1
            34   27  33 1 #Down
            35   28  34 1
            36   28  35 1 #Up
            37   29  36 1 #Up
            38   31  37 1
            39   32  38 1 #Up
            40   34  39 1 #Down
            41   35  40 1
            42   37  41 1 #Down
            43    5   7 1
            44   17  19 1
            45   29  34 1
            46   32  37 1
            47   49  50 1
            48   50  51 1
            49   51  53 1
            50   52  48 1
            51   52  53 1
            52   53  57 1
            53   56  54 1
            54   54  55 1
            55   55  52 1
            56   56  57 1
            57   57  58 1
            58   58  60 1
            59   59  56 1
            60   48  68 1 #Up
            61   44  45 1
            62   45  46 1
            63   59  60 1
            64   56  69 1 #Up
            65   60  63 1
            66   62  61 1
            67   61  59 1
            68   61  70 1 #Down
            69   46  49 1
            70   48  47 1
            71   65  71 1 #Down
            72   47  44 1
            73   62  63 1
            74   63  64 1
            75   64  65 1
            76   65  66 1
            77   66  67 1
            78   67  62 1
            79   48  49 1
            80   45  42 1 #Up


entry: C10804
name: --- - 2-(Hydroxymethyl)benzoic acid - 2-Hydroxymethylbenzoic acid
formula: C8H8O3
kcf:
ATOM        11
            1   C8y C    15.9542  -14.8167
            2   C8x C    15.9542  -15.6458
            3   C8x C    16.6704  -16.0625
            4   C8x C    17.3865  -15.6458
            5   C8x C    17.3865  -14.8167
            6   C8y C    16.6704  -14.4042
            7   C1b C    15.2357  -14.4038
            8   C6a C    16.6714  -13.5750
            9   O6a O    17.3906  -13.1592
            10  O6a O    15.9574  -13.1574
            11  O1a O    15.2362  -13.5746
BOND        11
            1     5   6 2
            2     6   1 1
            3     1   7 1
            4     1   2 2
            5     6   8 1
            6     2   3 1
            7     8   9 1
            8     3   4 2
            9     8  10 2
            10    4   5 1
            11    7  11 1


entry: C10805
name: --- - Leiocarposide
formula: C27H34O16
kcf:
ATOM        43
            1   C1y C    14.8958  -14.9625
            2   O2x O    14.1791  -14.5458
            3   C1y C    13.4594  -14.9644
            4   C1y C    13.4605  -15.7954
            5   C1y C    14.1813  -16.2079
            6   C1y C    14.8969  -15.7935
            7   C1y C    18.4666  -14.5500
            8   O2x O    17.7458  -14.9625
            9   C1y C    17.7411  -15.7915
            10  C1y C    18.4572  -16.2079
            11  C1y C    19.1781  -15.7996
            12  C1y C    19.1828  -14.9706
            13  C8y C    19.1958  -12.4833
            14  C8y C    19.1916  -13.3125
            15  C8x C    19.9082  -13.7286
            16  C8x C    20.6247  -13.3197
            17  C8x C    20.6289  -12.4905
            18  C8x C    19.9165  -12.0702
            19  C8x C    14.8958  -12.4750
            20  C8x C    14.8958  -13.3041
            21  C8y C    15.6162  -13.7166
            22  C8y C    16.3323  -13.3041
            23  C8y C    16.3323  -12.4750
            24  C8y C    15.6162  -12.0583
            25  C7a C    17.0458  -12.0625
            26  O7a O    17.7625  -12.4791
            27  C1b C    18.4791  -12.0666
            28  O1a O    15.6172  -11.2291
            29  O7a O    17.0468  -11.2333
            30  O2a O    18.4709  -13.7214
            31  O2a O    17.0513  -13.7161
            32  C1a C    17.7696  -13.3031
            33  O2a O    15.6172  -14.5458
            34  C1b C    17.0201  -16.1999
            35  C1b C    12.7402  -14.5487
            36  O1a O    14.1824  -17.0371
            37  O1a O    12.7424  -16.2089
            38  O1a O    15.6161  -16.2051
            39  O1a O    18.4525  -17.0371
            40  O1a O    19.8943  -16.2162
            41  O1a O    19.9037  -14.5580
            42  O1a O    17.0125  -17.0250
            43  O1a O    12.0221  -14.9663
BOND        46
            1    19  20 1
            2    20  21 2
            3    21  22 1
            4    22  23 2
            5    23  24 1
            6    24  19 2
            7    12   7 1
            8    23  25 1
            9     6   1 1
            10   25  26 1
            11   26  27 1
            12   27  13 1
            13    1   2 1
            14   24  28 1
            15    2   3 1
            16   25  29 2
            17    3   4 1
            18   14  30 1
            19    7  30 1 #Up
            20    4   5 1
            21   22  31 1
            22   13  14 2
            23   31  32 1
            24   14  15 1
            25   21  33 1
            26    1  33 1 #Up
            27   15  16 2
            28    9  34 1 #Up
            29   16  17 1
            30    3  35 1 #Up
            31   17  18 2
            32    5  36 1 #Up
            33   18  13 1
            34    4  37 1 #Down
            35    5   6 1
            36    6  38 1 #Down
            37    7   8 1
            38   10  39 1 #Down
            39    8   9 1
            40   11  40 1 #Up
            41    9  10 1
            42   12  41 1 #Down
            43   10  11 1
            44   34  42 1
            45   11  12 1
            46   35  43 1


entry: C10806
name: --- - Funtumine
formula: C21H35NO
kcf:
ATOM        23
            1   C1x C     5.6970  -11.0095
            2   C1y C     5.6832  -12.6168
            3   C1x C     4.9964  -11.4046
            4   C1y C     4.9895  -12.2080
            5   C1x C     5.6832  -13.4201
            6   C1z C     4.2966  -12.6099
            7   C1x C     4.9826  -13.8180
            8   C1y C     4.2931  -13.4133
            9   C1x C     3.5994  -12.2045
            10  C1a C     4.2897  -11.8067
            11  C1x C     3.5994  -13.8145
            12  C1x C     2.9024  -12.6099
            13  C1y C     2.9024  -13.4133
            14  N1a N     2.2059  -13.8145
            15  C1a C     6.3833  -10.6125
            16  C1z C     6.3872  -11.4164
            17  C1y C     6.3803  -12.2252
            18  C1x C     7.7827  -12.2371
            19  C1x C     7.7895  -11.4242
            20  C1y C     7.0918  -11.0139
            21  C5a C     7.0986  -10.2139
            22  O5a O     7.7956   -9.8198
            23  C1a C     6.4084   -9.8080
BOND        26
            1     8  11 1
            2     9  12 1
            3    11  13 1
            4    13  14 1 #Down
            5     3   4 1
            6     7   8 1
            7    12  13 1
            8    16  15 1 #Up
            9    16   1 1
            10   17   2 1
            11    1   3 1
            12    2   4 1
            13    2   5 1
            14    4   6 1
            15   16  17 1
            16   18  19 1
            17   19  20 1
            18   20  16 1
            19   17  18 1
            20    5   7 1
            21   20  21 1
            22    6   8 1
            23   21  22 2
            24    6   9 1
            25   21  23 1
            26    6  10 1 #Up


entry: C10807
name: --- - Germine
formula: C27H43NO8
kcf:
ATOM        36
            1   C1y C     6.3703  -13.2750
            2   C1y C     6.3703  -11.7709
            3   C1y C     7.0181  -12.1488
            4   C1z C     7.6705  -11.7791
            5   C1x C     6.3751  -11.0229
            6   N1y N     7.0275  -10.6490
            7   C1y C     7.6771  -11.0327
            8   C1x C     8.3319  -10.6537
            9   C1x C     8.3370   -9.9035
            10  C1y C     7.6874   -9.5239
            11  C1x C     7.0327   -9.8988
            12  O1a O     5.7167  -13.6500
            13  O1a O     6.3667  -14.0250
            14  O1a O     7.6625  -13.2708
            15  O1a O     8.3292  -12.2542
            16  C1y C     7.0065  -12.8971
            17  C1a C     8.3750  -11.3583
            18  C1a C     7.6791   -8.7709
            19  C1z C     5.7208  -12.9000
            20  C1y C     5.7191  -12.1456
            21  C1x C     5.0016  -11.9144
            22  C1y C     5.0044  -13.1304
            23  C1z C     4.5640  -12.5242
            24  C1x C     3.9537  -13.8951
            25  C1y C     4.7014  -13.8158
            26  C1y C     3.5133  -13.2889
            27  C1z C     3.8227  -12.6083
            28  C1x C     3.3875  -12.0027
            29  C1x C     2.6472  -12.0777
            30  C1y C     2.3378  -12.7542
            31  C1z C     2.7729  -13.3598
            32  O1a O     5.1376  -14.4220
            33  C1a C     4.2424  -11.9274
            34  O2x O     2.8094  -15.1196
            35  O1a O     2.2769  -14.0944
            36  O1a O     1.5974  -12.8292
BOND        42
            1     6   5 1
            2     4  15 1 #Up
            3     5   2 1
            4     4  17 1 #Down
            5    10  18 1 #Up
            6     6   7 1
            7     7   8 1
            8    19  20 1
            9    20  21 1
            10   21  23 1
            11   22  19 1
            12    8   9 1
            13    9  10 1
            14   10  11 1
            15   11   6 1
            16   22  23 1
            17   23  27 1
            18   26  24 1
            19   24  25 1
            20   25  22 1
            21   19   1 1
            22    1  16 1
            23    2  20 1
            24    3  16 1
            25   19  12 1 #Down
            26    1  13 1 #Down
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  26 1
            33    2   3 1
            34   25  32 1 #Down
            35   27  33 1 #Up
            36    3   4 1
            37   23  34 1 #Down
            38   16  14 1 #Up
            39   31  34 1 #Down
            40    4   7 1
            41   31  35 1 #Up
            42   30  36 1 #Up


entry: C10808
name: --- - Imperialine - Cevan-6-one, 3,20-dihydroxy-, (3-beta,5-alpha,17-beta)- - Kashmirine
formula: C27H43NO3
kcf:
ATOM        31
            1   C1y C     4.9987  -13.3459
            2   C1x C     6.4787  -13.5000
            3   C1y C     6.4787  -11.8750
            4   C1y C     7.1764  -12.2822
            5   C1z C     7.8789  -11.8832
            6   C1x C     6.4835  -11.0646
            7   N1y N     7.1859  -10.6615
            8   C1y C     7.8855  -11.0743
            9   C1x C     8.5944  -10.6703
            10  C1x C     8.5995   -9.8576
            11  C1y C     7.8957   -9.4490
            12  C1x C     7.1910   -9.8488
            13  O1a O     8.5042  -12.5084
            14  C1x C     7.1648  -13.0887
            15  C1a C     8.6667  -11.5958
            16  C1a C     7.8875   -8.6333
            17  C1y C     5.7708  -13.0916
            18  C1y C     5.7689  -12.2789
            19  C1x C     4.9956  -12.0324
            20  C1y C     4.5192  -12.6925
            21  C5x C     3.8639  -14.1723
            22  C1x C     4.6690  -14.0858
            23  C1y C     3.3886  -13.5189
            24  C1z C     3.7140  -12.7837
            25  C1x C     3.2426  -12.1327
            26  C1x C     2.4417  -12.2170
            27  C1y C     2.1121  -12.9523
            28  C1x C     2.5877  -13.6032
            29  C1a C     4.1062  -11.9748
            30  O1a O     1.2958  -13.0382
            31  O5x O     3.5339  -14.9224
BOND        36
            1     4   5 1
            2     5   8 1
            3    11  16 1 #Up
            4     7   6 1
            5     6   3 1
            6     7   8 1
            7    17  18 1
            8    18  19 1
            9    19  20 1
            10    1  17 1
            11    8   9 1
            12    9  10 1
            13   10  11 1
            14   11  12 1
            15    1  20 1
            16   20  24 1
            17   23  21 1
            18   21  22 1
            19   22   1 1
            20   12   7 1
            21   17   2 1
            22    2  14 1
            23    3  18 1
            24    4  14 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  23 1
            31   24  29 1 #Up
            32    5  13 1 #Up
            33    3   4 1
            34   27  30 1 #Up
            35    5  15 1 #Down
            36   21  31 2


entry: C10809
name: --- - 5-Pentadecylresorcinol - Cardol
formula: C21H36O2
kcf:
ATOM        23
            1   C8x C    -0.7375  -12.0542
            2   C8y C    -0.7375  -12.8833
            3   C8x C    -0.0171  -13.2958
            4   C8y C     0.6990  -12.8833
            5   C8x C     0.6990  -12.0542
            6   C8y C    -0.0171  -11.6375
            7   O1a O    -0.0161  -10.8083
            8   O1a O    -1.4559  -13.2962
            9   C1b C     1.4125  -13.2917
            10  C1b C     2.1250  -12.8792
            11  C1b C     2.8417  -13.2875
            12  C1b C     3.5583  -12.8750
            13  C1b C     4.2750  -13.2833
            14  C1b C     4.9917  -12.8708
            15  C1b C     5.7083  -13.2792
            16  C1b C     6.4250  -12.8667
            17  C1b C     7.1417  -13.2750
            18  C1b C     7.8542  -12.8625
            19  C1b C     8.5708  -13.2708
            20  C1b C     9.2875  -12.8583
            21  C1b C    10.0042  -13.2667
            22  C1b C    10.7208  -12.8542
            23  C1a C    11.4375  -13.2625
BOND        23
            1     5   6 2
            2    11  12 1
            3     6   1 1
            4    12  13 1
            5    13  14 1
            6     6   7 1
            7    14  15 1
            8     1   2 2
            9    15  16 1
            10    2   8 1
            11   16  17 1
            12    2   3 1
            13   17  18 1
            14    4   9 1
            15   18  19 1
            16    3   4 2
            17   19  20 1
            18    9  10 1
            19   20  21 1
            20    4   5 1
            21   21  22 1
            22   10  11 1
            23   22  23 1


entry: C10810
name: --- - Irehine
formula: C23H39NO
kcf:
ATOM        25
            1   C1x C     5.4011  -11.5886
            2   C1y C     5.3873  -13.2002
            3   C1x C     4.6964  -11.9795
            4   C1y C     4.6895  -12.7871
            5   C1x C     5.3873  -14.0075
            6   C1z C     3.9925  -13.1933
            7   C2x C     4.6826  -14.4096
            8   C2y C     3.9890  -14.0007
            9   C1x C     3.2953  -12.7836
            10  C1a C     3.9856  -12.3858
            11  C1x C     3.2953  -14.4061
            12  C1x C     2.5940  -13.1933
            13  C1y C     2.5940  -14.0007
            14  O1a O     1.8892  -14.4061
            15  C1a C     6.0917  -11.1875
            16  C1z C     6.0955  -11.9915
            17  C1y C     6.0887  -12.8043
            18  C1x C     7.4951  -12.8161
            19  C1x C     7.5020  -12.0033
            20  C1y C     6.8001  -11.5930
            21  C1c C     6.8068  -10.7889
            22  N1c N     7.5080  -10.3906
            23  C1a C     6.1166  -10.3789
            24  C1a C     8.2024  -10.7964
            25  C1a C     7.5148   -9.5865
BOND        28
            1    11  13 1
            2    13  14 1 #Up
            3     3   4 1
            4     7   8 2
            5    12  13 1
            6    16  15 1 #Up
            7    16   1 1
            8    17   2 1
            9     1   3 1
            10    2   4 1
            11    2   5 1
            12    4   6 1
            13   16  17 1
            14   18  19 1
            15   19  20 1
            16   20  16 1
            17   17  18 1
            18    5   7 1
            19   20  21 1
            20    6   8 1
            21   21  22 1 #Down
            22    6   9 1
            23   21  23 1
            24    6  10 1 #Up
            25   22  24 1
            26    8  11 1
            27   22  25 1
            28    9  12 1


entry: C10811
name: --- - Jervine
formula: C27H39NO3
kcf:
ATOM        31
            1   C1z C     6.2680  -11.7251
            2   O2x O     7.0932  -11.7247
            3   C1y C     6.0139  -10.9445
            4   C1x C     1.8000  -13.6125
            5   C1y C     1.8000  -14.4417
            6   C1x C     2.5204  -14.8542
            7   C1x C     2.5204  -13.1958
            8   C1z C     3.2365  -13.6125
            9   C2y C     3.2330  -14.4417
            10  C2x C     3.9499  -14.8572
            11  C1x C     4.6703  -14.4478
            12  C1y C     3.9569  -13.1989
            13  C1y C     4.6768  -13.6189
            14  C5x C     4.1312  -12.3856
            15  C2y C     4.9587  -12.3013
            16  C1y C     5.2898  -13.0591
            17  C1x C     6.1122  -13.1491
            18  C1x C     6.6034  -12.4814
            19  C2y C     5.4458  -11.6336
            20  C1y C     6.6819  -10.4575
            21  C1y C     7.3484  -10.9429
            22  C1x C     8.1006  -10.6059
            23  C1y C     8.1862   -9.7875
            24  C1x C     7.5197   -9.3062
            25  N1x N     6.7676   -9.6391
            26  C1a C     3.2292  -12.7833
            27  C1a C     5.0250  -10.9125
            28  C1a C     5.5958  -10.2208
            29  C1a C     8.9000   -9.3667
            30  O1a O     1.0792  -14.8500
            31  O5x O     3.5375  -11.7958
BOND        36
            1     3   1 1
            2    15  16 1
            3    16  17 1
            4    17  18 1
            5    18   1 1
            6     1  19 1
            7    19  15 2
            8     1   2 1 #Up
            9     2  21 1
            10    8   9 1
            11    9  10 2
            12   10  11 1
            13   11  13 1
            14   20  21 1
            15   21  22 1
            16   22  23 1
            17   23  24 1
            18   24  25 1
            19   25  20 1
            20   12   8 1
            21    8  26 1 #Up
            22   20   3 1
            23    4   5 1
            24    5   6 1
            25   12  13 1
            26   19  27 1
            27   13  16 1
            28    3  28 1 #Down
            29   15  14 1
            30   14  12 1
            31   23  29 1 #Up
            32    6   9 1
            33    8   7 1
            34    5  30 1 #Up
            35    7   4 1
            36   14  31 2


entry: C10812
name: --- - Piperonal
formula: C8H6O3
kcf:
ATOM        11
            1   C8x C    11.0415   -5.0280
            2   C8x C    12.4644   -4.1937
            3   C8y C    11.7470   -3.7862
            4   C8x C    11.0367   -4.2015
            5   C8y C    12.4713   -5.0166
            6   C8y C    11.7596   -5.4373
            7   O2x O    11.9398   -6.2442
            8   C1x C    12.7628   -6.3221
            9   O2x O    13.0913   -5.5634
            10  C4a C    11.7419   -2.9612
            11  O4a O    11.0248   -2.5532
BOND        12
            1     1   6 1
            2     5   2 1
            3     2   3 2
            4     3   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9   5 1
            10    4   1 2
            11    3  10 1
            12   10  11 2


entry: C10813
name: --- - Kurchessine
formula: C25H44N2
kcf:
ATOM        27
            1   C1x C     5.7429  -11.2678
            2   C1y C     5.7291  -12.8877
            3   C1x C     5.0339  -11.6629
            4   C1y C     5.0270  -12.4746
            5   C1x C     5.7291  -13.6992
            6   C1z C     4.3299  -12.8808
            7   C2x C     5.0201  -14.1013
            8   C2y C     4.3264  -13.6924
            9   C1x C     3.6244  -12.4711
            10  C1a C     4.3230  -12.0691
            11  C1x C     3.6244  -14.0978
            12  C1x C     2.9232  -12.8808
            13  C1y C     2.9232  -13.6924
            14  N1c N     2.2142  -14.0978
            15  C1a C     6.4333  -10.8666
            16  C1a C     2.2083  -14.9042
            17  C1a C     1.5083  -13.6917
            18  C1z C     6.4372  -11.6748
            19  C1y C     6.4303  -12.4918
            20  C1x C     7.8493  -12.5037
            21  C1x C     7.8561  -11.6867
            22  C1y C     7.1501  -11.2722
            23  C1c C     7.1569  -10.4639
            24  N1c N     7.8622  -10.0657
            25  C1a C     6.4583  -10.0539
            26  C1a C     8.5566  -10.4757
            27  C1a C     7.8690   -9.2574
BOND        30
            1    13  14 1 #Up
            2     3   4 1
            3     7   8 2
            4    12  13 1
            5    18  15 1 #Up
            6    18   1 1
            7    19   2 1
            8    14  16 1
            9     1   3 1
            10   14  17 1
            11    2   4 1
            12    2   5 1
            13    4   6 1
            14    5   7 1
            15   18  19 1
            16   20  21 1
            17   21  22 1
            18   22  18 1
            19   19  20 1
            20    6   8 1
            21   22  23 1
            22    6   9 1
            23   23  24 1 #Down
            24    6  10 1 #Up
            25    8  11 1
            26   23  25 1
            27    9  12 1
            28   24  26 1
            29   11  13 1
            30   24  27 1


entry: C10814
name: --- - Paravallarine
formula: C22H33NO2
kcf:
ATOM        25
            1   C1z C     6.8365  -11.4225
            2   C1y C     6.8262  -12.2543
            3   C1y C     7.6268  -11.1811
            4   C1x C     6.1220  -11.0053
            5   C7x C     6.3641  -10.7426
            6   C1y C     6.1082  -12.6585
            7   C1x C     7.6130  -12.5240
            8   C1x C     8.1103  -11.8543
            9   C1y C     7.6406  -10.3529
            10  C1x C     5.4005  -11.4087
            11  O7x O     6.8572  -10.0839
            12  C1y C     5.3936  -12.2371
            13  C1x C     6.1082  -13.4867
            14  C1a C     8.3207   -9.8728
            15  C1z C     4.6799  -12.6516
            16  C2x C     5.3867  -13.8971
            17  C2y C     4.6764  -13.4799
            18  C1x C     3.9620  -12.2336
            19  C1a C     4.6730  -11.8233
            20  C1x C     3.9620  -13.8936
            21  C1x C     3.2440  -12.6516
            22  C1y C     3.2440  -13.4799
            23  N1b N     2.5225  -13.8936
            24  C1a C     1.8046  -13.4799
            25  O7x O     5.5625  -10.5250
BOND        29
            1     1   3 1
            2     1   4 1
            3     1   5 1 #Up
            4     2   6 1
            5     2   7 1
            6     3   8 1
            7     3   9 1
            8     4  10 1
            9     5  11 1
            10    6  12 1
            11    6  13 1
            12    9  14 1 #Up
            13   12  15 1
            14   13  16 1
            15   15  17 1
            16   15  18 1
            17   15  19 1 #Up
            18   17  20 1
            19   18  21 1
            20   20  22 1
            21   22  23 1 #Up
            22   23  24 1
            23    7   8 1
            24    9  11 1
            25   10  12 1
            26   16  17 2
            27   21  22 1
            28    1   2 1
            29    5  25 2


entry: C10815
name: --- - Protoveratrine A
formula: C41H63NO14
kcf:
ATOM        56
            1   O7a O     2.8668  -12.6156
            2   C1y C     3.6376  -12.2323
            3   C1z C     4.0361  -12.9328
            4   O1a O     3.4204  -13.5050
            5   O7a O     5.7943  -15.3391
            6   C7a C     6.4921  -14.9349
            7   C1y C     7.7203  -12.8458
            8   C1y C     7.7203  -11.3125
            9   C1y C     8.3848  -11.6989
            10  C1z C     9.0497  -11.3207
            11  C1x C     7.7292  -10.5479
            12  N1y N     8.3943  -10.1657
            13  C1y C     9.0563  -10.5577
            14  C1x C     9.7235  -10.1704
            15  C1x C     9.7286   -9.4076
            16  C1y C     9.0666   -9.0156
            17  C1x C     8.3994   -9.4029
            18  O1a O     7.0500  -13.2250
            19  O7a O     7.7125  -13.6125
            20  O1a O     9.7042  -11.8417
            21  C1y C     8.3690  -12.4596
            22  C1a C     9.7875  -10.9875
            23  C1a C     9.0583   -8.2459
            24  O1a O     9.0375  -12.8458
            25  C1z C     7.0542  -12.4625
            26  C1y C     7.0523  -11.6956
            27  C1x C     6.3233  -11.4581
            28  C1y C     6.3264  -12.7036
            29  C1z C     5.8737  -12.0783
            30  C1y C     5.2467  -13.4813
            31  C1y C     6.0129  -13.4009
            32  C1y C     4.7982  -12.8601
            33  C1z C     5.1148  -12.1603
            34  C1x C     4.6693  -11.5374
            35  C1x C     3.9030  -11.6100
            36  O7a O     6.4837  -14.0529
            37  C1a C     7.1877  -15.3357
            38  C7a C     8.1979  -14.2404
            39  O7a O     7.7106  -14.8569
            40  C1c C     9.0020  -14.2460
            41  C1a C     9.4013  -14.9466
            42  C1b C     9.4111  -13.5510
            43  C1a C    10.2152  -13.5567
            44  O7a O     5.2676  -14.2800
            45  C7a C     4.9011  -14.8933
            46  C1a C     4.0595  -15.0622
            47  O7a O     5.1053  -15.6254
            48  O2x O     4.2703  -14.4299
            49  C1a C     5.4717  -11.4757
            50  C1d C     1.4000  -12.5250
            51  C7a C     2.0936  -12.1208
            52  O7a O     2.0936  -11.3167
            53  C1b C     0.7022  -12.1208
            54  C1a C     0.0044  -12.5250
            55  O1a O     1.8083  -13.2667
            56  C1a C     0.8323  -13.1864
BOND        62
            1    27  29 1
            2    28  25 1
            3     2   1 1 #Up
            4     8  26 1
            5     9  21 1
            6    25  18 1 #Down
            7    28  29 1
            8    29  33 1
            9    32  30 1
            10   30  31 1
            11   31  28 1
            12    7  19 1 #Down
            13   21  24 1 #Up
            14   32  33 1
            15   33  34 1
            16   34  35 1
            17   35   2 1
            18    3  32 1
            19    8   9 1
            20   31  36 1 #Down
            21   36   6 1
            22    9  10 1
            23    6  37 1
            24   10  20 1 #Up
            25   19  38 1
            26   10  13 1
            27   38  39 2
            28   12  11 1
            29   38  40 1
            30   10  22 1 #Down
            31   40  41 1 #Up
            32   11   8 1
            33   40  42 1
            34   42  43 1
            35   16  23 1 #Up
            36   30  44 1 #Down
            37   12  13 1
            38   44  45 1
            39   13  14 1
            40   45  46 1
            41   14  15 1
            42   45  47 2
            43   15  16 1
            44   29  48 1 #Down
            45   16  17 1
            46    3  48 1 #Down
            47   17  12 1
            48   33  49 1 #Up
            49    3   2 1
            50   25   7 1
            51    7  21 1
            52   50  51 1
            53   51   1 1
            54   51  52 2
            55    5   6 2
            56   50  53 1
            57    3   4 1 #Up
            58   53  54 1
            59   25  26 1
            60   50  55 1 #Up
            61   26  27 1
            62   50  56 1 #Down


entry: C10816
name: --- - Protoveratrine B
formula: C41H63NO15
kcf:
ATOM        57
            1   O7a O    13.4252  -15.5989
            2   C1y C    14.1960  -15.2156
            3   C1z C    14.5945  -15.9161
            4   O1a O    13.9788  -16.4883
            5   O7a O    16.3527  -18.3224
            6   C7a C    17.0505  -17.9182
            7   C1y C    18.2787  -15.8291
            8   C1y C    18.2787  -14.2958
            9   C1y C    18.9432  -14.6822
            10  C1z C    19.6081  -14.3040
            11  C1x C    18.2876  -13.5312
            12  N1y N    18.9527  -13.1490
            13  C1y C    19.6147  -13.5410
            14  C1x C    20.2819  -13.1537
            15  C1x C    20.2870  -12.3909
            16  C1y C    19.6250  -11.9989
            17  C1x C    18.9578  -12.3862
            18  O1a O    17.6084  -16.2083
            19  O7a O    18.2709  -16.5958
            20  O1a O    20.2626  -14.8250
            21  C1y C    18.9274  -15.4429
            22  C1a C    20.3459  -13.9708
            23  C1a C    19.6167  -11.2292
            24  O1a O    19.5959  -15.8291
            25  C1z C    17.6126  -15.4458
            26  C1y C    17.6107  -14.6789
            27  C1x C    16.8817  -14.4414
            28  C1y C    16.8848  -15.6869
            29  C1z C    16.4321  -15.0616
            30  C1y C    15.8051  -16.4646
            31  C1y C    16.5713  -16.3842
            32  C1y C    15.3566  -15.8434
            33  C1z C    15.6732  -15.1436
            34  C1x C    15.2277  -14.5207
            35  C1x C    14.4614  -14.5933
            36  O7a O    17.0421  -17.0362
            37  C1a C    17.7461  -18.3190
            38  C7a C    18.7563  -17.2237
            39  O7a O    18.2690  -17.8402
            40  C1c C    19.5604  -17.2293
            41  C1a C    19.9597  -17.9299
            42  C1b C    19.9695  -16.5343
            43  C1a C    20.7736  -16.5400
            44  O7a O    15.8260  -17.2633
            45  C7a C    15.4595  -17.8766
            46  C1a C    14.6179  -18.0455
            47  O7a O    15.6637  -18.6087
            48  O2x O    14.8287  -17.4132
            49  C1a C    16.0301  -14.4590
            50  C1d C    11.9584  -15.5083
            51  C7a C    12.6520  -15.1041
            52  O7a O    12.6520  -14.3000
            53  C1c C    11.2606  -15.1041
            54  C1a C    10.5628  -15.5083
            55  O1a O    12.3667  -16.2500
            56  C1a C    11.3907  -16.1697
            57  O1a O    11.2606  -14.2791
BOND        63
            1    27  29 1
            2    28  25 1
            3     2   1 1 #Up
            4     8  26 1
            5     9  21 1
            6    25  18 1 #Down
            7    28  29 1
            8    29  33 1
            9    32  30 1
            10   30  31 1
            11   31  28 1
            12    7  19 1 #Down
            13   21  24 1 #Up
            14   32  33 1
            15   33  34 1
            16   34  35 1
            17   35   2 1
            18    3  32 1
            19    8   9 1
            20   31  36 1 #Down
            21   36   6 1
            22    9  10 1
            23    6  37 1
            24   10  20 1 #Up
            25   19  38 1
            26   10  13 1
            27   38  39 2
            28   12  11 1
            29   38  40 1
            30   10  22 1 #Down
            31   40  41 1 #Up
            32   11   8 1
            33   40  42 1
            34   42  43 1
            35   16  23 1 #Up
            36   30  44 1 #Down
            37   12  13 1
            38   44  45 1
            39   13  14 1
            40   45  46 1
            41   14  15 1
            42   45  47 2
            43   15  16 1
            44   29  48 1 #Down
            45   16  17 1
            46    3  48 1 #Down
            47   17  12 1
            48   33  49 1 #Up
            49    3   2 1
            50   25   7 1
            51    7  21 1
            52   50  51 1
            53   51   1 1
            54   51  52 2
            55    5   6 2
            56   50  53 1
            57    3   4 1 #Up
            58   53  54 1
            59   25  26 1
            60   50  55 1 #Up
            61   26  27 1
            62   50  56 1 #Down
            63   53  57 1 #Up


entry: C10817
name: --- - Protoverine
formula: C27H43NO9
kcf:
ATOM        37
            1   C1y C     6.8749  -13.7431
            2   C1z C     6.4329  -13.1294
            3   C1z C     5.6786  -13.2046
            4   C1x C     6.8749  -12.5124
            5   O2x O     4.9656  -15.4057
            6   C1z C     7.5982  -13.5066
            7   C1y C     6.5701  -14.4319
            8   C1y C     5.3669  -13.9003
            9   C1x C     5.2297  -12.5951
            10  C1y C     7.5982  -12.7523
            11  C1z C     4.6195  -13.9796
            12  C1y C     8.2566  -13.8872
            13  O1a O     7.5820  -14.3143
            14  C1y C     5.8124  -14.5139
            15  C1x C     4.4796  -12.6806
            16  C1y C     8.2566  -12.3648
            17  C1y C     4.1741  -13.3659
            18  C1y C     8.9040  -13.5066
            19  C1y C     8.9040  -12.7523
            20  C1x C     8.2566  -11.6215
            21  O1a O     9.5589  -13.9102
            22  C1z C     9.5583  -12.3648
            23  N1y N     8.9040  -11.2410
            24  C1y C     9.5583  -11.6215
            25  O1a O    10.3609  -12.7936
            26  C1x C     8.9040  -10.4763
            27  C1x C    10.2237  -11.2410
            28  C1y C     9.5583  -10.1102
            29  C1x C    10.2237  -10.4763
            30  C1a C     9.5608   -9.3554
            31  C1a C    10.3234  -11.8967
            32  O1a O     8.2585  -14.6831
            33  O1a O     7.1810  -15.0418
            34  O1a O     5.8083  -15.3645
            35  O1a O     3.3121  -13.7121
            36  O1a O     4.1991  -14.6765
            37  C1a C     6.0100  -12.5439
BOND        43
            1     6  13 1 #Down
            2     7  14 1
            3     9  15 1
            4    10  16 1
            5    11  17 1
            6    12  18 1
            7    16  19 1
            8    16  20 1
            9    18  21 1 #Up
            10   19  22 1
            11   20  23 1
            12   22  24 1
            13   22  25 1 #Up
            14   23  26 1
            15   24  27 1
            16   26  28 1
            17   27  29 1
            18    6  10 1
            19    8  11 1
            20    8  14 1
            21   15  17 1
            22   18  19 1
            23   23  24 1
            24   28  29 1
            25   28  30 1 #Up
            26    2   1 1
            27   22  31 1 #Down
            28    2   3 1
            29    2   4 1
            30    2   5 1 #Down
            31   12  32 1 #Down
            32    1   6 1
            33    1   7 1
            34    7  33 1 #Down
            35    3   8 1
            36   14  34 1 #Down
            37    3   9 1
            38   17  35 1 #Up
            39    4  10 1
            40   11  36 1 #Up
            41   11   5 1 #Down
            42    6  12 1
            43    3  37 1 #Up


entry: C10818
name: --- - Solacapine
formula: C27H48N2O2
kcf:
ATOM        31
            1   C1x C     4.2720  -11.4387
            2   C1y C     4.2582  -13.0668
            3   C1x C     3.5589  -11.8337
            4   C1y C     3.5520  -12.6496
            5   C1x C     4.2582  -13.8826
            6   C1z C     2.8508  -13.0599
            7   C1x C     3.5451  -14.2846
            8   C1y C     2.8473  -13.8758
            9   C1x C     2.1453  -12.6461
            10  C1a C     2.8439  -12.2442
            11  C1x C     2.1453  -14.2811
            12  C1x C     1.4357  -13.0599
            13  C1y C     1.4357  -13.8758
            14  N1a N     0.7267  -14.2811
            15  C1a C     4.9666  -11.0333
            16  C1z C     4.9705  -11.8456
            17  C1y C     4.9636  -12.6668
            18  C1x C     6.3868  -12.6787
            19  C1y C     6.3937  -11.8575
            20  C1y C     5.6876  -11.4430
            21  O1a O     7.0991  -11.4551
            22  C1c C     5.6986  -10.6264
            23  C1y C     6.4060  -10.2318
            24  C1a C     4.9980  -10.2128
            25  N1x N     7.0989  -10.6456
            26  C1x C     7.8104  -10.2510
            27  C1y C     7.8214   -9.4385
            28  C1x C     7.1208   -9.0208
            29  C1y C     6.4134   -9.4196
            30  C1a C     8.5288   -9.0397
            31  O1a O     5.7161   -9.0033
BOND        35
            1    16  15 1 #Up
            2    16   1 1
            3    17   2 1
            4     1   3 1
            5     2   4 1
            6     2   5 1
            7    16  17 1
            8    18  19 1
            9    19  20 1
            10   20  16 1
            11   17  18 1
            12    4   6 1
            13   19  21 1 #Down
            14    5   7 1
            15    6   8 1
            16   20  22 1
            17    6   9 1
            18   22  23 1
            19    6  10 1 #Up
            20   22  24 1 #Down
            21    8  11 1
            22    9  12 1
            23   11  13 1
            24   13  14 1 #Up
            25    3   4 1
            26   23  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  23 1
            32    7   8 1
            33   27  30 1 #Up
            34   12  13 1
            35   29  31 1 #Up


entry: C10819
name: --- - Solamargine
formula: C45H73NO15
kcf:
ATOM        61
            1   N1x N    15.8617   -1.9825
            2   C1z C    15.8617   -2.8034
            3   C1x C    16.5737   -3.2159
            4   C1x C    17.2815   -2.8034
            5   C1y C    17.2815   -1.9825
            6   C1x C    16.5737   -1.5742
            7   C1y C    14.4732   -3.6104
            8   C1y C    15.1725   -4.0194
            9   C1y C    14.4766   -2.8034
            10  C1x C    15.1518   -4.8264
            11  O2x O    15.8583   -3.6138
            12  C1a C    13.8972   -2.2356
            13  C1y C    13.7585   -4.8053
            14  C1z C    13.7585   -4.0053
            15  C1x C    10.2583   -5.1916
            16  C1y C    10.2583   -6.0000
            17  C1x C    10.9621   -6.4042
            18  C1x C    10.9621   -4.7875
            19  C1z C    11.6574   -5.1916
            20  C2y C    11.6538   -6.0000
            21  C2x C    12.3540   -6.4072
            22  C1x C    13.0536   -6.0061
            23  C1y C    12.3611   -4.7906
            24  C1y C    13.0537   -5.1995
            25  C1x C    13.0672   -3.5872
            26  C1x C    12.3678   -3.9844
            27  O2a O     9.5542   -6.4667
            28  C1a C    11.6500   -4.3833
            29  C1a C    13.7583   -3.1875
            30  C1a C    17.9921   -1.5747
            31  C1y C     6.0383   -8.5721
            32  C1y C     6.0356   -9.3811
            33  O2x O     5.3376   -8.1739
            34  C1y C     5.3393   -9.7836
            35  O1a O     6.7464   -9.7937
            36  C1y C     4.6302   -8.5673
            37  C1y C     4.6391   -9.3823
            38  O1a O     5.3384  -10.5957
            39  C1a C     3.9342   -8.1703
            40  O1a O     3.9330   -9.7818
            41  C1y C    10.2625   -8.5750
            42  C1y C    10.9590   -8.1772
            43  O2x O    10.2590   -9.3859
            44  C1y C    11.6611   -8.5812
            45  O1a O    10.9668   -7.3628
            46  C1y C    10.9532   -9.7944
            47  C1y C    11.6545   -9.3938
            48  O1a O    12.3592   -8.1865
            49  C1a C    10.9471  -10.6148
            50  O1a O    12.3500   -9.7976
            51  C1y C     8.8542   -6.9583
            52  C1y C     8.8530   -7.7604
            53  O2x O     8.1532   -6.5504
            54  C1y C     8.1558   -8.1703
            55  O2a O     9.5582   -8.1683
            56  C1y C     7.4599   -6.9538
            57  C1y C     7.4549   -7.7624
            58  O1a O     8.1545   -8.9723
            59  C1b C     6.7569   -6.5494
            60  O2a O     6.7582   -8.1718
            61  O1a O     6.7572   -5.7421
BOND        69
            1    20  21 2
            2    21  22 1
            3    22  24 1
            4    23  19 1
            5    14  29 1 #Up
            6     3   4 1
            7     5  30 1 #Down
            8     4   5 1
            9     5   6 1
            10    6   1 1
            11   14   7 1
            12    7   8 1
            13    7   9 1
            14   13  10 1
            15    8  11 1
            16    9   2 1
            17    9  12 1 #Down
            18    8  10 1
            19   11   2 1
            20    2   1 1 #Down
            21    2   3 1 #Up
            22   15  16 1
            23   23  24 1
            24   24  13 1
            25   14  25 1
            26   25  26 1
            27   26  23 1
            28   16  17 1
            29   17  20 1
            30   19  18 1
            31   14  13 1
            32   18  15 1
            33   16  27 1 #Up
            34   19  20 1
            35   19  28 1 #Up
            36   42  45 1 #Down
            37   43  46 1
            38   44  47 1
            39   44  48 1 #Down
            40   46  49 1 #Down
            41   47  50 1 #Up
            42   46  47 1
            43   36  37 1
            44   31  32 1
            45   31  33 1
            46   32  34 1
            47   32  35 1 #Down
            48   33  36 1
            49   34  37 1
            50   34  38 1 #Down
            51   36  39 1 #Down
            52   37  40 1 #Up
            53   51  52 1
            54   51  53 1
            55   52  54 1
            56   52  55 1 #Down
            57   53  56 1
            58   54  57 1
            59   54  58 1 #Up
            60   56  59 1 #Up
            61   57  60 1 #Down
            62   59  61 1
            63   56  57 1
            64   41  42 1
            65   41  43 1
            66   42  44 1
            67   51  27 1 #Up
            68   41  55 1 #Up
            69   31  60 1 #Up


entry: C10820
name: --- - Solanine
formula: C45H73NO15
kcf:
ATOM        61
            1   O2x O     2.5292  -15.1375
            2   C1y C     2.5292  -15.9792
            3   C1y C     3.2620  -16.4000
            4   C1y C     3.9865  -15.9792
            5   C1y C     3.9865  -15.1375
            6   C1y C     3.2620  -14.7167
            7   O2a O     3.2839  -13.9000
            8   C1b C     1.8024  -16.4004
            9   O1a O     1.0711  -15.9799
            10  O1a O     3.2631  -17.2417
            11  O1a O     4.7180  -16.3995
            12  O1a O     4.7180  -14.7172
            13  C1y C     5.5250  -10.8625
            14  C1x C     5.5250  -10.0459
            15  C1x C     6.2370  -11.2709
            16  C1x C     6.2370   -9.6375
            17  C1z C     6.9407  -10.0459
            18  C2y C     6.9372  -10.8625
            19  C2x C     7.6457  -11.2739
            20  C1x C     8.3495  -10.8686
            21  C1y C     7.6528   -9.6405
            22  C1y C     8.3495  -10.0537
            23  C1x C     8.3671   -8.4288
            24  C1x C     7.6595   -8.8261
            25  C1z C     9.0722   -8.8419
            26  C1y C     9.0668   -9.6595
            27  C1x C     9.8423   -9.9157
            28  C1y C     9.8509   -8.5918
            29  C1y C    10.3250   -9.2597
            30  C1y C    10.3326   -7.9295
            31  C1y C    11.1095   -8.1855
            32  N1y N    11.1041   -9.0083
            33  C1x C    11.8134   -9.4224
            34  C1y C    12.5240   -9.0135
            35  C1x C    12.5294   -8.1949
            36  C1x C    11.8242   -7.7808
            37  C1a C     6.9334   -9.2292
            38  C1a C     9.0666   -8.0250
            39  C1a C    10.1167   -7.1375
            40  C1a C    13.2292   -9.4250
            41  O2a O     4.7614  -11.3348
            42  C1y C     5.4417  -13.4958
            43  C1y C     6.1590  -13.0855
            44  O2x O     5.4382  -14.3276
            45  C1y C     6.8777  -13.5020
            46  O1a O     6.1668  -12.2544
            47  C1y C     6.1532  -14.7444
            48  C1y C     6.8711  -14.3355
            49  O1a O     7.5967  -13.0948
            50  C1a C     6.1471  -15.5856
            51  O1a O     7.5875  -14.7476
            52  C1y C     4.0000  -11.8375
            53  C1y C     3.9988  -12.6604
            54  O2x O     3.2824  -11.4213
            55  C1y C     3.2850  -13.0786
            56  O2a O     4.7207  -13.0766
            57  C1y C     2.5682  -11.8330
            58  C1y C     2.5632  -12.6624
            59  C1b C     1.8485  -11.4203
            60  O1a O     1.8488  -10.5921
            61  O1a O     1.8348  -13.0807
BOND        69
            1    20  22 1
            2    21  17 1
            3    21  22 1
            4    22  26 1
            5    25  23 1
            6    23  24 1
            7    24  21 1
            8    25  26 1
            9    26  27 1
            10   27  29 1
            11   28  25 1
            12   28  29 1
            13   29  32 1
            14   31  30 1
            15   30  28 1
            16   31  32 1
            17   32  33 1
            18   33  34 1
            19   34  35 1
            20   35  36 1
            21   36  31 1
            22   17  37 1 #Up
            23   25  38 1 #Up
            24   30  39 1 #Down
            25   34  40 1 #Down
            26    3  10 1 #Down
            27   13  41 1 #Up
            28    4   5 1
            29    4  11 1 #Up
            30    5   6 1
            31    5  12 1 #Down
            32    6   1 1
            33    6   7 1 #Up
            34    1   2 1
            35    2   8 1 #Up
            36    2   3 1
            37    8   9 1
            38    3   4 1
            39   14  13 1
            40   13  15 1
            41   15  18 1
            42   17  16 1
            43   16  14 1
            44   17  18 1
            45   18  19 2
            46   43  46 1 #Down
            47   44  47 1
            48   45  48 1
            49   45  49 1 #Down
            50   47  50 1 #Down
            51   48  51 1 #Up
            52   47  48 1
            53   52  53 1
            54   52  54 1
            55   53  55 1
            56   53  56 1 #Down
            57   54  57 1
            58   55  58 1
            59   55   7 1 #Up
            60   57  59 1 #Up
            61   59  60 1
            62   57  58 1
            63   42  43 1
            64   42  44 1
            65   43  45 1
            66   52  41 1 #Up
            67   42  56 1 #Up
            68   19  20 1
            69   58  61 1 #Up


entry: C10821
name: --- - Solanocapsine
formula: C27H46N2O2
kcf:
ATOM        31
            1   C1x C    15.3095  -14.0970
            2   C1y C    15.2957  -15.7168
            3   C1x C    14.6006  -14.4921
            4   C1y C    14.5937  -15.3037
            5   C1x C    15.2957  -16.5284
            6   C1z C    13.8967  -15.7099
            7   C1x C    14.5910  -16.9305
            8   C1y C    13.8932  -16.5216
            9   C1x C    13.1912  -15.3002
            10  C1a C    13.8898  -14.8983
            11  C1x C    13.1912  -16.9270
            12  C1x C    12.4898  -15.7099
            13  C1y C    12.4898  -16.5216
            14  N1a N    11.7809  -16.9270
            15  C1a C    16.0042  -13.6959
            16  C1z C    16.0080  -14.5039
            17  C1y C    16.0012  -15.3209
            18  C1x C    17.4160  -15.3328
            19  C1y C    16.7167  -14.1014
            20  C1y C    17.4186  -14.5158
            21  O2x O    18.1252  -14.1168
            22  C1y C    16.7257  -13.2880
            23  C1y C    17.4364  -12.8891
            24  C1z C    18.1304  -13.3022
            25  C1x C    18.8382  -12.9059
            26  C1y C    18.8479  -12.0965
            27  C1x C    18.1498  -11.6833
            28  N1x N    17.4462  -12.0796
            29  C1a C    16.0324  -12.8762
            30  C1a C    19.5505  -11.7007
            31  O1a O    18.8846  -13.7321
BOND        36
            1     8  11 1
            2     9  12 1
            3    11  13 1
            4    13  14 1 #Up
            5     3   4 1
            6     7   8 1
            7    16  17 1
            8    18  20 1
            9    19  16 1
            10   17  18 1
            11   12  13 1
            12   19  20 1
            13   20  21 1
            14   21  24 1
            15   23  22 1
            16   22  19 1
            17   16  15 1 #Up
            18   16   1 1
            19   17   2 1
            20    1   3 1
            21    2   4 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  23 1
            28    2   5 1
            29    4   6 1
            30    5   7 1
            31   22  29 1 #Down
            32    6   8 1
            33    6   9 1
            34   26  30 1 #Down
            35    6  10 1 #Up
            36   24  31 1 #Up


entry: C10822
name: --- - Solasodine
formula: C27H43NO2
kcf:
ATOM        30
            1   C1y C    10.3284   -8.6844
            2   C1y C    11.0110   -9.0809
            3   C1y C    10.3318   -7.8898
            4   C1x C    10.9903   -9.8712
            5   O2x O    11.6843   -8.6878
            6   C1z C    11.6877   -7.8898
            7   C1a C     9.7649   -7.3346
            8   C1x C    12.3711   -8.2905
            9   N1x N    11.6877   -7.1070
            10  C1x C    13.0511   -7.8898
            11  C1x C    12.3746   -6.7173
            12  C1y C    13.0580   -7.1104
            13  C1a C    13.7416   -6.7173
            14  C1y C     9.6303   -9.8543
            15  C1z C     9.6303   -9.0668
            16  C1x C     8.9428   -8.6344
            17  C1y C     8.9290  -10.2460
            18  C1x C     8.2381   -9.0295
            19  C1y C     8.2312   -9.8371
            20  C1x C     8.9290  -11.0533
            21  C1z C     7.5341  -10.2391
            22  C2x C     8.2243  -11.4554
            23  C2y C     7.5306  -11.0465
            24  C1x C     6.8370   -9.8336
            25  C1a C     7.5272   -9.4316
            26  C1x C     6.8370  -11.4519
            27  C1x C     6.1356  -10.2391
            28  C1y C     6.1356  -11.0465
            29  O1a O     5.4309  -11.4519
            30  C1a C     9.6333   -8.2333
BOND        35
            1    15   1 1
            2     1   2 1
            3     1   3 1
            4    14   4 1
            5     2   5 1
            6     3   6 1
            7     3   7 1 #Down
            8     6   8 1 #Up
            9     6   9 1 #Down
            10    8  10 1
            11    9  11 1
            12   10  12 1
            13   12  13 1 #Down
            14    2   4 1
            15    5   6 1
            16   11  12 1
            17   14  17 1
            18   16  18 1
            19   17  19 1
            20   17  20 1
            21   19  21 1
            22   20  22 1
            23   21  23 1
            24   21  24 1
            25   21  25 1 #Up
            26   23  26 1
            27   24  27 1
            28   26  28 1
            29   28  29 1 #Up
            30   18  19 1
            31   22  23 2
            32   27  28 1
            33   15  30 1 #Up
            34   15  14 1
            35   15  16 1


entry: C10823
name: --- - Populin
formula: C20H22O8
kcf:
ATOM        28
            1   C8y C     7.7417  -11.8958
            2   C8x C     7.7375  -12.7250
            3   C8x C     8.4541  -13.1411
            4   C8x C     9.1748  -12.7322
            5   C8x C     9.1789  -11.9030
            6   C8y C     8.4624  -11.4828
            7   C1y C     4.8792  -11.8875
            8   C1y C     4.8750  -12.7167
            9   C1y C     5.5916  -13.1328
            10  C1y C     6.3123  -12.7239
            11  C1y C     6.3164  -11.8947
            12  O2x O     5.5999  -11.4744
            13  C8x C     0.5833  -11.8958
            14  C8x C     0.5833  -12.7250
            15  C8x C     1.2995  -13.1375
            16  C8x C     2.0157  -12.7250
            17  C8y C     2.0157  -11.8958
            18  C8x C     1.2995  -11.4792
            19  C7a C     2.7292  -11.4792
            20  O7a O     3.4458  -11.8917
            21  C1b C     4.1625  -11.4750
            22  O7a O     2.7265  -10.6500
            23  O2a O     7.0250  -11.4792
            24  C1b C     8.4666  -10.6536
            25  O1a O     9.1873  -10.2447
            26  O1a O     5.5874  -13.9619
            27  O1a O     4.1543  -13.1256
            28  O1a O     7.0247  -13.1400
BOND        30
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4    13  14 1
            5    14  15 2
            6    15  16 1
            7    16  17 2
            8    17  18 1
            9    18  13 2
            10    5   6 2
            11   17  19 1
            12    7   8 1
            13   19  20 1
            14    8   9 1
            15   20  21 1
            16    7  21 1 #Up
            17    9  10 1
            18   19  22 2
            19   10  11 1
            20   11  23 1 #Up
            21   23   1 1
            22   11  12 1
            23    6  24 1
            24   12   7 1
            25   24  25 1
            26    6   1 1
            27    9  26 1 #Up
            28    8  27 1 #Down
            29    1   2 2
            30   10  28 1 #Down


entry: C10824
name: --- - Solasonine
formula: C45H73NO16
kcf:
ATOM        62
            1   C1y C    18.2105  -10.7009
            2   C1y C    18.9098  -11.1099
            3   C1y C    18.2139   -9.8939
            4   C1x C    18.8891  -11.9170
            5   O2x O    19.5956  -10.7043
            6   C1z C    19.5990   -9.8939
            7   C1a C    17.6345   -9.3262
            8   C1x C    20.2949  -10.3029
            9   N1x N    19.5990   -9.0944
            10  C1x C    20.9874   -9.8939
            11  C1x C    20.2984   -8.6963
            12  C1y C    20.9943   -9.0978
            13  C1a C    21.6945   -8.6963
            14  C1y C    17.5000  -11.8958
            15  C1z C    17.5000  -11.0958
            16  O2a O    13.2892  -13.5769
            17  C1x C    16.8095  -10.6761
            18  C1y C    16.7957  -12.2793
            19  C1x C    16.1130  -11.0712
            20  C1y C    16.1061  -11.8746
            21  C1x C    16.7957  -13.0825
            22  C1z C    15.4132  -12.2724
            23  C2x C    16.0992  -13.4846
            24  C2y C    15.4097  -13.0757
            25  C1x C    14.7161  -11.8711
            26  C1a C    15.4063  -11.4692
            27  C1x C    14.7161  -13.4811
            28  C1x C    14.0190  -12.2724
            29  C1y C    14.0190  -13.0757
            30  C1a C    17.5000  -10.2792
            31  C1y C    13.9083  -15.6417
            32  C1y C    14.6048  -15.2438
            33  O2x O    13.9048  -16.4526
            34  C1y C    15.3069  -15.6479
            35  O1a O    14.6126  -14.4336
            36  C1y C    14.5990  -16.8611
            37  C1y C    15.3003  -16.4605
            38  O1a O    16.0050  -15.2531
            39  C1a C    14.5929  -17.6814
            40  O1a O    15.9958  -16.8643
            41  C1y C    12.5041  -14.0250
            42  C1y C    12.5029  -14.8270
            43  O2x O    11.8032  -13.6213
            44  C1y C    11.8058  -15.2369
            45  O2a O    13.2040  -15.2349
            46  C1y C    11.1057  -14.0205
            47  C1y C    11.1007  -14.8290
            48  O2a O    11.7920  -16.0640
            49  C1b C    10.4027  -13.6203
            50  O1a O    10.4030  -12.8129
            51  O1a O    10.3890  -15.2390
            52  O2x O    11.0833  -17.4292
            53  C1y C    11.0833  -18.2500
            54  C1y C    11.7995  -18.6625
            55  C1y C    12.5073  -18.2500
            56  C1y C    12.5073  -17.4292
            57  C1y C    11.7995  -17.0167
            58  C1b C    10.3732  -18.6629
            59  O1a O     9.6627  -18.2507
            60  O1a O    11.8005  -19.4833
            61  O1a O    13.2179  -18.6620
            62  O1a O    13.2179  -17.0172
BOND        70
            1    27  29 1
            2    19  20 1
            3    23  24 2
            4    28  29 1
            5    15  30 1 #Up
            6    29  16 1 #Up
            7    15   1 1
            8     1   2 1
            9     1   3 1
            10   14   4 1
            11    2   5 1
            12    3   6 1
            13    3   7 1 #Down
            14    6   8 1 #Up
            15    6   9 1 #Down
            16    8  10 1
            17    9  11 1
            18   10  12 1
            19   12  13 1 #Down
            20    2   4 1
            21    5   6 1
            22   11  12 1
            23   15  14 1
            24   32  35 1 #Down
            25   33  36 1
            26   34  37 1
            27   34  38 1 #Down
            28   36  39 1 #Down
            29   37  40 1 #Up
            30   36  37 1
            31   41  42 1
            32   41  43 1
            33   42  44 1
            34   42  45 1 #Down
            35   43  46 1
            36   44  47 1
            37   44  48 1 #Up
            38   46  49 1 #Up
            39   49  50 1
            40   46  47 1
            41   31  32 1
            42   31  33 1
            43   32  34 1
            44   41  16 1 #Up
            45   31  45 1 #Up
            46   15  17 1
            47   47  51 1 #Up
            48   14  18 1
            49   17  19 1
            50   18  20 1
            51   18  21 1
            52   20  22 1
            53   21  23 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   56  57 1
            59   57  52 1
            60   57  48 1 #Up
            61   22  24 1
            62   53  58 1 #Up
            63   22  25 1
            64   58  59 1
            65   22  26 1 #Up
            66   54  60 1 #Down
            67   24  27 1
            68   55  61 1 #Up
            69   25  28 1
            70   56  62 1 #Down


entry: C10825
name: --- - Terminaline
formula: C23H41NO2
kcf:
ATOM        26
            1   C1y C     6.8084  -11.1889
            2   C1x C     5.3970  -11.1845
            3   C1y C     5.3873  -12.8043
            4   C1x C     4.6922  -11.5795
            5   C1y C     4.6853  -12.3913
            6   C1x C     5.3873  -13.6159
            7   C1z C     3.9841  -12.7974
            8   C1x C     4.6784  -14.0179
            9   C1y C     3.9806  -13.6091
            10  C1x C     3.2828  -12.3878
            11  C1a C     3.9772  -11.9858
            12  C1y C     3.2828  -14.0144
            13  C1x C     2.5773  -12.7974
            14  C1y C     2.5773  -13.6091
            15  O1a O     1.8726  -14.0144
            16  C1a C     6.0917  -10.7833
            17  O1a O     3.2750  -14.8209
            18  C1z C     6.0955  -11.5915
            19  C1y C     6.0887  -12.4085
            20  C1x C     7.5035  -12.4203
            21  C1x C     7.5103  -11.6033
            22  C1c C     6.8152  -10.3806
            23  C1a C     6.1166   -9.9705
            24  N1c N     7.5163   -9.9823
            25  C1a C     8.2149  -10.3923
            26  C1a C     7.5231   -9.1740
BOND        29
            1     9  12 1
            2    10  13 1
            3    12  14 1
            4    14  15 1 #Up
            5     4   5 1
            6     8   9 1
            7    13  14 1
            8    18  16 1 #Up
            9    18   2 1
            10   19   3 1
            11   12  17 1 #Down
            12    2   4 1
            13    3   5 1
            14    3   6 1
            15   18  19 1
            16   20  21 1
            17   21   1 1
            18    1  18 1
            19   19  20 1
            20    5   7 1
            21    1  22 1
            22    6   8 1
            23   22  23 1
            24    7   9 1
            25   22  24 1 #Down
            26    7  10 1
            27   24  25 1
            28    7  11 1 #Up
            29   24  26 1


entry: C10826
name: --- - Tomatidine
formula: C27H45NO2
kcf:
ATOM        30
            1   C1x C    11.4917   -2.9500
            2   C1z C    11.4917   -3.7500
            3   N1x N    12.1871   -4.1500
            4   C1x C    12.8782   -3.7500
            5   C1y C    12.8782   -2.9500
            6   C1x C    12.1871   -2.5500
            7   C1y C    10.1367   -4.5427
            8   C1y C    10.8194   -4.9392
            9   C1y C    10.1401   -3.7524
            10  C1x C    10.7987   -5.7254
            11  O2x O    11.4885   -4.5461
            12  C1a C     9.5774   -3.1971
            13  C1y C     9.4429   -5.7043
            14  C1z C     9.4429   -4.9251
            15  C1x C     8.7595   -4.4928
            16  C1y C     8.7457   -6.0959
            17  C1x C     8.0589   -4.8837
            18  C1y C     8.0520   -5.6871
            19  C1x C     8.7457   -6.8992
            20  C1z C     7.3592   -6.0890
            21  C1x C     8.0451   -7.2971
            22  C1y C     7.3557   -6.8924
            23  C1x C     6.6620   -5.6836
            24  C1a C     7.3523   -5.2858
            25  C1x C     6.6620   -7.2978
            26  C1x C     5.9648   -6.0890
            27  C1y C     5.9648   -6.8924
            28  O1a O     5.2643   -7.2978
            29  C1a C     9.4459   -4.0958
            30  C1a C    13.5722   -2.5505
BOND        35
            1     5   6 1
            2     6   1 1
            3    14   7 1
            4     7   8 1
            5     7   9 1
            6    13  10 1
            7     8  11 1
            8     9   2 1
            9     9  12 1 #Down
            10    8  10 1
            11   11   2 1
            12    2   1 1 #Down
            13    2   3 1 #Up
            14    3   4 1
            15   15  17 1
            16   16  18 1
            17   16  19 1
            18   18  20 1
            19   19  21 1
            20   20  22 1
            21   20  23 1
            22   20  24 1 #Up
            23   22  25 1
            24   23  26 1
            25   25  27 1
            26   27  28 1 #Up
            27   17  18 1
            28   21  22 1
            29   26  27 1
            30   14  29 1 #Up
            31   14  13 1
            32   14  15 1
            33   13  16 1
            34    4   5 1
            35    5  30 1 #Down


entry: C10827
name: --- - Tomatine
formula: C50H83NO21
kcf:
ATOM        72
            1   C1y C    15.0317  -15.0182
            2   O2x O    14.3203  -14.6202
            3   C1y C    15.0522  -15.8328
            4   C1y C    13.6156  -15.0530
            5   C1y C    14.3537  -16.2579
            6   O1a O    15.7667  -16.2226
            7   C1y C    13.6332  -15.8652
            8   C1b C    12.9047  -14.6649
            9   O1a O    14.3641  -17.0761
            10  O2a O    12.9410  -16.2969
            11  O1a O    12.8783  -13.8368
            12  C1y C    12.2167  -15.8910
            13  C1y C    11.5181  -16.3081
            14  O2x O    12.2131  -15.0749
            15  C1y C    10.8040  -15.9024
            16  O2a O    11.5205  -17.1292
            17  C1y C    11.5169  -14.6673
            18  O2a O    10.0951  -16.3128
            19  C1y C    10.8084  -15.0750
            20  C1y C    11.5419  -17.9412
            21  C1b C    11.4992  -13.8616
            22  C1y C     9.3830  -15.9036
            23  O1a O    10.0940  -14.6763
            24  O2x O    10.8429  -18.3618
            25  C1y C    12.2547  -18.3389
            26  O2x O     9.3806  -15.0868
            27  C1y C     8.6813  -16.3160
            28  C1y C    10.8504  -19.1721
            29  C1y C    12.2629  -19.1526
            30  O1a O    12.9568  -17.9154
            31  C1x C     8.6675  -14.6781
            32  C1y C     7.9750  -15.9109
            33  O1a O     8.6824  -17.1357
            34  C1y C    11.5578  -19.5638
            35  C1b C    10.1413  -19.5857
            36  O1a O    12.9671  -19.5569
            37  C1y C     7.9603  -15.0927
            38  O1a O     7.2647  -16.3278
            39  O1a O    11.5723  -20.3819
            40  O1a O     9.4361  -19.1869
            41  O1a O     7.2560  -14.6917
            42  O1a O    12.2109  -13.4372
            43  O2a O    15.8167  -14.4292
            44  C1x C    22.0062   -9.8641
            45  C1z C    22.0062  -10.6724
            46  N1x N    22.7057  -11.0766
            47  C1x C    23.4052  -10.6724
            48  C1y C    23.4052   -9.8641
            49  C1x C    22.7057   -9.4599
            50  C1y C    20.6344  -11.4670
            51  C1y C    21.3254  -11.8676
            52  C1y C    20.6378  -10.6724
            53  C1x C    21.3047  -12.6622
            54  O2x O    22.0028  -11.4704
            55  C1a C    20.0709  -10.1130
            56  C1y C    19.9364  -12.6410
            57  C1z C    19.9364  -11.8535
            58  C1x C    19.2531  -11.4337
            59  C1y C    19.2393  -13.0286
            60  C1x C    18.5566  -11.8247
            61  C1y C    18.5497  -12.6238
            62  C1x C    19.2393  -13.8276
            63  C1z C    17.8651  -13.0217
            64  C1x C    18.5428  -14.2298
            65  C1y C    17.8616  -13.8250
            66  C1x C    17.1680  -12.6203
            67  C1a C    17.8582  -12.2226
            68  C1x C    17.1680  -14.2263
            69  C1x C    16.4750  -13.0217
            70  C1y C    16.4750  -13.8250
            71  C1a C    19.9394  -11.0410
            72  C1a C    24.1033   -9.4605
BOND        81
            1    28  35 1 #Up
            2    29  36 1 #Up
            3    31  37 1
            4    32  38 1 #Up
            5    34  39 1 #Down
            6    35  40 1
            7    37  41 1 #Down
            8     5   7 1
            9    17  19 1
            10   29  34 1
            11   32  37 1
            12    1   2 1
            13    1   3 1
            14    2   4 1
            15    3   5 1
            16    3   6 1 #Down
            17    4   7 1
            18   45  44 1 #Down
            19   45  46 1 #Up
            20   46  47 1
            21   47  48 1
            22   48  49 1
            23   49  44 1
            24    4   8 1 #Up
            25    5   9 1 #Up
            26    7  10 1 #Up
            27    8  11 1
            28    1  43 1 #Up
            29   21  42 1
            30   12  10 1 #Up
            31   12  13 1
            32   57  50 1
            33   50  51 1
            34   50  52 1
            35   56  53 1
            36   51  54 1
            37   52  45 1
            38   52  55 1 #Down
            39   51  53 1
            40   54  45 1
            41   12  14 1
            42   13  15 1
            43   13  16 1 #Down
            44   14  17 1
            45   15  18 1 #Up
            46   15  19 1
            47   20  16 1 #Up
            48   17  21 1 #Up
            49   22  18 1 #Up
            50   19  23 1 #Down
            51   20  24 1
            52   20  25 1
            53   22  26 1
            54   22  27 1
            55   24  28 1
            56   25  29 1
            57   25  30 1 #Down
            58   26  31 1
            59   27  32 1
            60   27  33 1 #Down
            61   59  61 1
            62   59  62 1
            63   61  63 1
            64   62  64 1
            65   63  65 1
            66   63  66 1
            67   63  67 1 #Up
            68   65  68 1
            69   66  69 1
            70   68  70 1
            71   60  61 1
            72   64  65 1
            73   69  70 1
            74   57  71 1 #Up
            75   70  43 1 #Up
            76   57  56 1
            77   57  58 1
            78   56  59 1
            79   58  60 1
            80   28  34 1
            81   48  72 1 #Down


entry: C10828
name: --- - Veracevine - Cevane-3-beta,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-
formula: C27H43NO8
kcf:
ATOM        36
            1   C1y C     6.8708  -13.7458
            2   C1z C     6.4288  -13.1378
            3   C1z C     5.6828  -13.2129
            4   C1x C     6.8707  -12.5249
            5   O2x O     4.9281  -15.4391
            6   C1z C     7.5898  -13.5108
            7   C1x C     6.5659  -14.4319
            8   C1y C     5.3711  -13.9044
            9   C1x C     5.2339  -12.6034
            10  C1z C     7.5898  -12.7607
            11  C1z C     4.6279  -13.9796
            12  C1x C     8.2441  -13.8872
            13  O1a O     7.5362  -14.4352
            14  C1x C     5.8124  -14.5139
            15  C1x C     4.4837  -12.6889
            16  C1y C     8.2441  -12.3773
            17  O1a O     7.6154  -11.9522
            18  C1y C     4.1824  -13.3701
            19  C1y C     8.8915  -13.5108
            20  C1z C     8.8915  -12.7607
            21  C1x C     8.2441  -11.6340
            22  O1a O     9.4589  -14.0352
            23  C1z C     9.5417  -12.3773
            24  O1a O     9.5555  -13.3467
            25  N1y N     8.8915  -11.2577
            26  C1y C     9.5417  -11.6340
            27  O1a O    10.3359  -12.8020
            28  C1x C     8.8915  -10.4971
            29  C1x C    10.2029  -11.2577
            30  C1y C     9.5417  -10.1310
            31  C1x C    10.2029  -10.4971
            32  C1a C     9.5400   -9.3804
            33  C1a C    10.3026  -11.9509
            34  C1a C     6.0058  -12.5523
            35  O1a O     4.2866  -14.7148
            36  O1a O     3.3246  -13.7163
BOND        42
            1     3   8 1
            2     3   9 1
            3     4  10 1
            4    11   5 1 #Down
            5     6  12 1
            6     6  13 1 #Down
            7     7  14 1
            8     9  15 1
            9    10  16 1
            10   10  17 1 #Down
            11   11  18 1
            12   12  19 1
            13   16  20 1
            14   16  21 1
            15   19  22 1 #Up
            16   20  23 1
            17   20  24 1 #Down
            18   21  25 1
            19   23  26 1
            20   23  27 1 #Up
            21   25  28 1
            22   26  29 1
            23   28  30 1
            24   29  31 1
            25    6  10 1
            26    8  11 1
            27    8  14 1
            28   15  18 1
            29   19  20 1
            30   25  26 1
            31   30  31 1
            32   30  32 1 #Up
            33   23  33 1 #Down
            34    2   1 1
            35    2   3 1
            36    2   4 1
            37    3  34 1 #Up
            38    2   5 1 #Down
            39    1   6 1
            40   11  35 1 #Up
            41    1   7 1
            42   18  36 1 #Up


entry: C10829
name: --- - Veratramine
formula: C27H39NO2
kcf:
ATOM        30
            1   C1y C     5.0083   -3.9125
            2   C1y C     5.2928   -4.6859
            3   C1x C     6.1033   -4.8277
            4   C1y C     6.6293   -4.2003
            5   C1x C     6.3490   -3.4269
            6   N1x N     5.5385   -3.2809
            7   C1a C     7.4571   -4.2479
            8   C8y C     3.7014   -4.4918
            9   C1x C    -0.7708   -6.3750
            10  C1y C    -0.7708   -7.2042
            11  C1x C    -0.0505   -7.6208
            12  C1x C    -0.0505   -5.9625
            13  C1z C     0.6657   -6.3750
            14  C2y C     0.6622   -7.2042
            15  C2x C     1.3790   -7.6239
            16  C1x C     2.0994   -7.2103
            17  C1y C     1.3861   -5.9656
            18  C1y C     2.1060   -6.3814
            19  C1x C     1.5603   -5.1523
            20  C8y C     2.3879   -5.0680
            21  C8y C     2.7232   -5.8216
            22  C8x C     3.5455   -5.9158
            23  C8x C     4.0326   -5.2481
            24  C8y C     2.8791   -4.4003
            25  C1a C     0.6583   -5.5458
            26  C1a C     2.4542   -3.6792
            27  O1a O    -1.4917   -7.6167
            28  C1c C     4.1875   -3.8250
            29  C1a C     3.7708   -3.1042
            30  O1a O     4.7000   -5.2708
BOND        34
            1    17  13 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5    17  18 1
            6    18  21 1
            7    20  19 1
            8    19  17 1
            9     5   6 1
            10    9  10 1
            11   10  11 1
            12   11  14 1
            13   13  12 1
            14   20  21 1
            15   21  22 2
            16   22  23 1
            17   23   8 2
            18    8  24 1
            19   24  20 2
            20   12   9 1
            21   13  25 1 #Up
            22    6   1 1
            23    4   7 1 #Up
            24   24  26 1
            25    1   2 1
            26   10  27 1 #Up
            27   13  14 1
            28    8  28 1
            29   28   1 1
            30   14  15 2
            31   28  29 1 #Down
            32   15  16 1
            33   16  18 1
            34    2  30 1 #Up


entry: C10830
name: --- - Verticine
formula: C27H45NO3
kcf:
ATOM        31
            1   C1y C     3.9788  -12.8836
            2   C1y C     4.4583  -13.5417
            3   C1z C     3.1745  -12.9629
            4   C1x C     4.4582  -12.2207
            5   C1y C     5.2357  -13.2858
            6   C1x C     4.1284  -14.2819
            7   C1y C     2.8378  -13.7128
            8   C1x C     2.6880  -12.3034
            9   C1y C     5.2357  -12.4773
            10  C1x C     2.0320  -13.7962
            11  C1x C     5.9441  -13.6956
            12  C1y C     3.3124  -14.3723
            13  C1x C     1.8754  -12.3973
            14  C1y C     5.9441  -12.0607
            15  C1y C     1.5491  -13.1367
            16  C1x C     6.6457  -13.2858
            17  C1y C     6.6457  -12.4773
            18  C1x C     5.9441  -11.2548
            19  C1z C     7.3500  -12.0607
            20  N1y N     6.6457  -10.8493
            21  C1y C     7.3500  -11.2548
            22  O1a O     8.2068  -12.5186
            23  C1x C     6.6457  -10.0263
            24  C1x C     8.0654  -10.8493
            25  C1y C     7.3500   -9.6310
            26  C1x C     8.0654  -10.0263
            27  C1a C     7.3483   -8.8179
            28  C1a C     8.1734  -11.6009
            29  O1a O     0.6205  -13.5080
            30  C1a C     3.5740  -12.1782
            31  O1a O     2.9798  -15.1234
BOND        36
            1     3   8 1
            2     4   9 1
            3     5  11 1
            4     6  12 1
            5     8  13 1
            6     9  14 1
            7    10  15 1
            8    11  16 1
            9    14  17 1
            10   14  18 1
            11   17  19 1
            12   18  20 1
            13   19  21 1
            14   19  22 1 #Up
            15   20  23 1
            16   21  24 1
            17   23  25 1
            18   24  26 1
            19    5   9 1
            20    7  10 1
            21    7  12 1
            22   13  15 1
            23   16  17 1
            24   20  21 1
            25   25  26 1
            26   25  27 1 #Up
            27   19  28 1 #Down
            28    1   2 1
            29    3  30 1 #Up
            30    1   3 1
            31   15  29 1 #Up
            32    1   4 1
            33    2   5 1
            34    2   6 1
            35    3   7 1
            36   12  31 1 #Down


entry: C10831
name: --- - Zygadenine
formula: C27H43NO7
kcf:
ATOM        35
            1   C1y C     5.2648  -13.8898
            2   C1y C     4.5417  -14.8833
            3   C1z C     4.0996  -14.2711
            4   C1z C     3.3495  -14.3462
            5   C1x C     4.5415  -13.6540
            6   O2x O     2.5906  -16.5849
            7   C1z C     5.2648  -14.6441
            8   C1x C     4.2367  -15.5694
            9   C1y C     3.0336  -15.0419
            10  C1x C     2.8964  -13.7326
            11  C1z C     2.2904  -15.1171
            12  C1y C     5.9233  -15.0247
            13  O1a O     5.2112  -15.5727
            14  C1x C     3.4790  -15.6514
            15  C1x C     2.1421  -13.8181
            16  C1y C     5.9233  -13.5065
            17  C1y C     1.8408  -14.5034
            18  C1y C     6.5749  -14.6441
            19  C1y C     6.5749  -13.8898
            20  C1x C     5.9233  -12.7590
            21  O1a O     7.1422  -15.1727
            22  C1z C     7.2292  -13.5065
            23  N1y N     6.5749  -12.3785
            24  C1y C     7.2292  -12.7590
            25  O1a O     8.0234  -13.9311
            26  C1x C     6.5749  -11.6180
            27  C1x C     7.8904  -12.3785
            28  C1y C     7.2292  -11.2477
            29  C1x C     7.8904  -11.6180
            30  C1a C     7.2275  -10.4929
            31  C1a C     7.9901  -13.0759
            32  C1a C     3.6725  -13.6814
            33  O1a O     1.9449  -15.8565
            34  O1a O     0.9788  -14.8496
            35  O1a O     5.9250  -15.7838
BOND        41
            1     4  10 1
            2     5   1 1
            3    11   6 1 #Down
            4     7  12 1
            5     7  13 1 #Down
            6     8  14 1
            7    10  15 1
            8     1  16 1
            9    11  17 1
            10   12  18 1
            11   16  19 1
            12   16  20 1
            13   18  21 1 #Up
            14   19  22 1
            15   20  23 1
            16   22  24 1
            17   22  25 1 #Up
            18   23  26 1
            19   24  27 1
            20   26  28 1
            21   27  29 1
            22    7   1 1
            23    9  11 1
            24    9  14 1
            25   15  17 1
            26   18  19 1
            27   23  24 1
            28   28  29 1
            29   28  30 1 #Up
            30   22  31 1 #Down
            31    3   2 1
            32    3   4 1
            33    4  32 1 #Up
            34    3   5 1
            35    3   6 1 #Down
            36   11  33 1 #Up
            37    2   7 1
            38   17  34 1 #Up
            39    2   8 1
            40    4   9 1
            41   12  35 1 #Down


entry: C10832
name: --- - Sesamol
formula: C7H6O3
kcf:
ATOM        10
            1   C8x C    15.1557  -15.5047
            2   C8x C    16.6072  -14.7215
            3   C8y C    15.9048  -14.2888
            4   C8x C    15.1801  -14.6786
            5   C8y C    16.5849  -15.5441
            6   C8y C    15.8588  -15.9392
            7   O2x O    16.0102  -16.7520
            8   C1x C    16.8300  -16.8590
            9   O2x O    17.1853  -16.1125
            10  O1a O    15.9290  -13.4641
BOND        11
            1     1   6 1
            2     5   2 1
            3     2   3 2
            4     3   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9   5 1
            10    4   1 2
            11    3  10 1


entry: C10833
name: --- - Syringic acid
formula: C9H10O5
kcf:
ATOM        14
            1   C8y C    15.4557  -14.9229
            2   C8y C    16.1768  -15.3321
            3   C8y C    16.8947  -14.9112
            4   C8x C    16.8858  -14.0827
            5   C8y C    16.1646  -13.6735
            6   C8x C    15.4524  -14.0929
            7   O1a O    16.1849  -16.1628
            8   O2a O    14.7420  -15.3441
            9   C1a C    14.7457  -16.1726
            10  O2a O    17.6164  -15.3195
            11  C1a C    17.6215  -16.1482
            12  C6a C    16.1610  -12.8449
            13  O6a O    16.8748  -12.4240
            14  O6a O    15.4403  -12.4352
BOND        14
            1     2   7 1
            2     1   2 1
            3     1   8 1
            4     2   3 2
            5     8   9 1
            6     3   4 1
            7     3  10 1
            8     4   5 2
            9    10  11 1
            10    5   6 1
            11    5  12 1
            12    6   1 2
            13   12  13 1
            14   12  14 2


entry: C10834
name: --- - Theogallin
formula: C14H16O10
kcf:
ATOM        24
            1   O7a O     5.3566  -11.6786
            2   C7a C     6.1949  -12.1404
            3   C8y C     6.1916  -12.9612
            4   O7a O     6.9069  -11.7350
            5   C8x C     5.4773  -13.3648
            6   C8y C     5.4781  -14.1856
            7   C8y C     6.1867  -14.5969
            8   C8y C     6.8987  -14.1915
            9   C8x C     6.9021  -13.3706
            10  O1a O     2.5168  -11.6683
            11  C1z C     3.9395  -10.0327
            12  C1x C     3.2274  -10.4381
            13  C1y C     3.2249  -11.2605
            14  C1y C     3.9324  -11.6737
            15  C1y C     4.6485  -11.2641
            16  C1x C     4.6531  -10.4454
            17  C6a C     3.9432   -9.2119
            18  O1a O     3.9296  -12.4945
            19  O1a O     3.2118   -9.6795
            20  O1a O     4.7620  -14.5910
            21  O1a O     6.1834  -15.4177
            22  O1a O     7.6073  -14.6027
            23  O6a O     3.2306   -8.7962
            24  O6a O     4.6595   -8.8026
BOND        25
            1     9   3 1
            2    14  18 1 #Down
            3    13  10 1 #Down
            4     2   3 1
            5    11  19 1 #Down
            6     1   2 1
            7     2   4 2
            8     6  20 1
            9     7  21 1
            10    3   5 2
            11    8  22 1
            12    5   6 1
            13    6   7 2
            14    7   8 1
            15   11  12 1
            16   12  13 1
            17   13  14 1
            18   14  15 1
            19   15  16 1
            20   16  11 1
            21   15   1 1 #Up
            22    8   9 2
            23   17  23 2
            24   11  17 1 #Up
            25   17  24 1


entry: C10835
name: --- - Trichocarpin
formula: C20H22O9
kcf:
ATOM        29
            1   C8y C     8.1125  -10.8417
            2   C8x C     8.8292  -11.2583
            3   C8x C     9.5427  -10.8434
            4   C8x C     9.5436  -10.0159
            5   C8x C     8.8311   -9.6034
            6   C8x C     8.1135  -10.0142
            7   C8y C     5.2333  -12.4875
            8   C8x C     5.2292  -13.3167
            9   C8x C     5.9457  -13.7369
            10  C8y C     6.6664  -13.3239
            11  C8x C     6.6706  -12.4947
            12  C8y C     5.9541  -12.0786
            13  C1y C     2.3708  -12.4833
            14  C1y C     2.3708  -13.3125
            15  C1y C     3.0912  -13.7292
            16  C1y C     3.8032  -13.3125
            17  C1y C     3.8032  -12.4833
            18  O2x O     3.0912  -12.0708
            19  O2a O     4.5167  -12.0750
            20  O1a O     7.3830  -13.7442
            21  C7a C     5.9582  -11.2495
            22  O7a O     6.6789  -10.8364
            23  C1b C     7.3955  -11.2567
            24  O7a O     5.2417  -10.8292
            25  C1b C     1.6524  -12.0705
            26  O1a O     3.0922  -14.5583
            27  O1a O     1.6524  -13.7295
            28  O1a O     4.5221  -13.7286
            29  O1a O     0.9336  -12.4826
BOND        31
            1     3   4 2
            2     4   5 1
            3    13  14 1
            4    14  15 1
            5    15  16 1
            6    16  17 1
            7    17  18 1
            8    18  13 1
            9     5   6 2
            10   17  19 1 #Up
            11   19   7 1
            12    7   8 1
            13   10  20 1
            14    8   9 2
            15   12  21 1
            16    9  10 1
            17   21  22 1
            18   10  11 2
            19   22  23 1
            20   11  12 1
            21   21  24 2
            22   23   1 1
            23   12   7 2
            24   13  25 1 #Up
            25    6   1 1
            26   15  26 1 #Up
            27   14  27 1 #Down
            28    1   2 2
            29   16  28 1 #Down
            30    2   3 1
            31   25  29 1


entry: C10836
name: --- - 3,4,3'-Tri-O-methylellagic acid
formula: C17H12O8
kcf:
ATOM        25
            1   C8x C     3.7000  -12.2292
            2   C8y C     3.7000  -13.0583
            3   C8y C     4.4204  -13.4750
            4   C8y C     5.1330  -13.0583
            5   O7x O     5.8499  -13.4780
            6   C8y C     6.5703  -13.0644
            7   C8y C     4.4204  -11.8167
            8   C8y C     5.1348  -12.2322
            9   O7x O     5.1442  -10.5782
            10  C8y C     4.4251  -10.9896
            11  C8y C     5.8587  -10.9979
            12  C8y C     5.8497  -11.8204
            13  C8y C     6.5581  -12.2374
            14  C8x C     7.2755  -11.8359
            15  C8y C     7.2845  -11.0134
            16  C8y C     6.5761  -10.5923
            17  O2a O     6.5851   -9.7631
            18  C1a C     7.3082   -9.3585
            19  O1a O     8.0076  -10.6046
            20  O7x O     7.2911  -13.4773
            21  O7x O     3.7088  -10.5689
            22  O2a O     2.9816  -13.4754
            23  C1a C     2.2669  -13.0591
            24  O2a O     4.4223  -14.3042
            25  C1a C     3.7046  -14.7183
BOND        28
            1     8   4 2
            2     4   5 1
            3     5   6 1
            4     6  13 1
            5     3   4 1
            6    11  12 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  16 1
            11   16  11 2
            12    7   1 2
            13   16  17 1
            14   17  18 1
            15    1   2 1
            16   15  19 1
            17    7   8 1
            18    6  20 2
            19    8  12 1
            20   10  21 2
            21   11   9 1
            22    2  22 1
            23    9  10 1
            24   22  23 1
            25   10   7 1
            26    3  24 1
            27    2   3 2
            28   24  25 1


entry: C10837
name: --- - Turgorin
formula: C13H15O13S
kcf:
ATOM        27
            1   C8x C     7.4854  -10.2631
            2   C8y C     6.7807  -10.6551
            3   C8y C     6.7676  -11.4606
            4   C8y C     7.4571  -11.8747
            5   C8x C     8.1576  -11.4826
            6   C8y C     8.1728  -10.6807
            7   O2a O     6.0842  -11.8494
            8   O1a O     7.4438  -12.6787
            9   O1a O     6.0897  -10.2392
            10  C6a C     8.8779  -10.2896
            11  O6a O     9.5681  -10.7067
            12  O6a O     8.8929   -9.4856
            13  S4a S     1.6448  -11.7512
            14  O3c O     0.9331  -11.0873
            15  O3c O     1.0899  -12.3977
            16  O2a O     2.4995  -12.3707
            17  O0  O     2.1812  -11.1311 #-
            18  C1y C     3.8875  -12.3708
            19  C1y C     3.8875  -13.1792
            20  C1y C     4.5870  -13.5792
            21  C1y C     5.2824  -13.1792
            22  C1y C     5.2824  -12.3708
            23  O2x O     4.5870  -11.9708
            24  C1b C     3.1941  -11.9705
            25  O1a O     3.1941  -13.5795
            26  O1a O     4.5881  -14.3833
            27  O1a O     5.9805  -13.5786
BOND        28
            1    13  14 2
            2     3   7 1
            3    13  15 2
            4     1   2 2
            5    13  16 1
            6     4   8 1
            7    13  17 1
            8     2   3 1
            9     2   9 1
            10    3   4 2
            11    6  10 1
            12    4   5 1
            13   10  11 2
            14   18  19 1
            15   19  20 1
            16   20  21 1
            17   21  22 1
            18   22  23 1
            19   23  18 1
            20    5   6 2
            21   18  24 1 #Up
            22   10  12 1
            23   19  25 1 #Down
            24    6   1 1
            25   20  26 1 #Up
            26   21  27 1 #Down
            27   22   7 1 #Up
            28   24  16 1


entry: C10838
name: --- - Turricolol E
formula: C21H30O3
kcf:
ATOM        24
            1   C8x C    -0.2000  -11.9000
            2   C8x C    -0.2000  -12.7292
            3   C8y C     0.5162  -13.1417
            4   C8x C     1.2324  -12.7292
            5   C8y C     1.2324  -11.9000
            6   C8y C     0.5162  -11.4833
            7   C1b C     1.9458  -11.4833
            8   C2b C     2.6625  -11.8958
            9   C2c C     3.3792  -11.4792
            10  C1b C     4.0958  -11.8917
            11  C1b C     4.8125  -11.4750
            12  C2b C     5.5292  -11.8875
            13  C2c C     6.2417  -11.4708
            14  C1b C     6.9583  -11.8833
            15  C1b C     7.6750  -11.4667
            16  C2b C     8.3917  -11.8792
            17  C2c C     9.1083  -11.4625
            18  C1a C     9.8250  -11.8750
            19  C1a C     3.3774  -10.6500
            20  C1b C     6.2399  -10.6417
            21  C1a C     9.1065  -10.6333
            22  O1a O     0.5172  -10.6542
            23  O1a O     0.5172  -13.9708
            24  O1a O     6.9576  -10.2276
BOND        24
            1    11  12 1
            2     6   1 1
            3    12  13 2
            4    13  14 1
            5     5   7 1
            6    14  15 1
            7     1   2 2
            8    15  16 1
            9     7   8 1
            10   16  17 2
            11    2   3 1
            12   17  18 1
            13    8   9 2
            14    9  19 1
            15    3   4 2
            16   13  20 1
            17    9  10 1
            18   17  21 1
            19    4   5 1
            20    6  22 1
            21   10  11 1
            22    3  23 1
            23    5   6 2
            24   20  24 1


entry: C10839
name: --- - Urushiol III - 3-(8,11-Pentadecadienyl)-1,2-benzenediol
formula: C21H32O2
kcf:
ATOM        23
            1   C8x C     7.1333   -8.6834
            2   C8x C     7.1333   -9.5166
            3   C8x C     7.8537   -9.9375
            4   C8y C     8.5699   -9.5166
            5   C8y C     8.5699   -8.6834
            6   C8y C     7.8537   -8.2709
            7   O1a O     7.8547   -7.4375
            8   O1a O     9.2929   -8.2714
            9   C1b C     9.2833   -9.9292
            10  C1b C    10.0000   -9.5125
            11  C1b C    10.7167   -9.9292
            12  C1b C    11.4333   -9.5125
            13  C1b C    12.1500   -9.9292
            14  C1b C    12.8667   -9.5125
            15  C1b C    13.5792   -9.9292
            16  C2b C    14.2958   -9.5125
            17  C2b C    15.0125   -9.9292
            18  C1b C    15.7292   -9.5125
            19  C2b C    16.4458   -9.9292
            20  C2b C    17.1625   -9.5125
            21  C1b C    17.8792   -9.9292
            22  C1b C    18.5958   -9.5125
            23  C1a C    19.3083   -9.9292
BOND        23
            1     6   7 1
            2    11  12 1
            3     1   2 2
            4    12  13 1
            5     5   8 1
            6    13  14 1
            7     2   3 1
            8    14  15 1
            9     3   4 2
            10   15  16 1
            11    4   5 1
            12   16  17 2
            13   17  18 1
            14    4   9 1
            15   18  19 1
            16    5   6 2
            17   19  20 2
            18    9  10 1
            19   20  21 1
            20    6   1 1
            21   21  22 1
            22   10  11 1
            23   22  23 1


entry: C10840
name: --- - Zinniol
formula: C15H22O4
kcf:
ATOM        19
            1   C8y C     3.2708  -11.8292
            2   C8y C     3.2708  -12.6583
            3   C8y C     3.9912  -13.0708
            4   C8y C     4.7074  -12.6583
            5   C8x C     4.7074  -11.8292
            6   C8y C     3.9912  -11.4125
            7   C1b C     2.5542  -11.4125
            8   O1a O     1.8375  -11.8250
            9   O2a O     2.5542  -13.0708
            10  C1a C     1.8375  -12.6583
            11  C1b C     3.9922  -10.5833
            12  O1a O     4.7114  -10.1717
            13  C1a C     3.9922  -13.9000
            14  O2a O     5.4167  -13.0667
            15  C1b C     6.1333  -12.6542
            16  C2b C     6.8500  -13.0625
            17  C2c C     7.5667  -12.6500
            18  C1a C     8.2833  -13.0583
            19  C1a C     7.5649  -11.8208
BOND        19
            1     3   4 2
            2     9  10 1
            3     4   5 1
            4     6  11 1
            5     5   6 2
            6    11  12 1
            7     6   1 1
            8     3  13 1
            9     4  14 1
            10    1   7 1
            11   14  15 1
            12    1   2 2
            13   15  16 1
            14    7   8 1
            15   16  17 2
            16    2   3 1
            17   17  18 1
            18    2   9 1
            19   17  19 1


entry: C10841
name: --- - Anatoxin a - Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-, (1R)-
formula: C10H15NO
kcf:
ATOM        12
            1   C2y C     5.0747  -12.2885
            2   C1x C     5.0747  -12.8576
            3   C1y C     4.2776  -12.2885
            4   C1y C     4.2328  -12.8576
            5   C1x C     3.7120  -12.6185
            6   C1x C     3.4191  -13.2241
            7   C2x C     5.7333  -12.6667
            8   C1x C     5.9292  -13.4042
            9   N1x N     3.8875  -11.6250
            10  C5a C     5.4500  -11.6250
            11  C1a C     6.2083  -11.6250
            12  O5a O     5.0667  -10.9625
BOND        13
            1     1   7 2
            2     1   3 1
            3     7   8 1
            4     2   8 1
            5     2   4 1
            6     3   9 1
            7     4   9 1
            8     3   5 1
            9     1  10 1
            10    4   6 1
            11   10  11 1
            12    5   6 1
            13   10  12 2


entry: C10842
name: --- - Anisodamine - 6-Hydroxyhyoscyamine
formula: C17H23NO4
kcf:
ATOM        22
            1   O7a O     5.1699  -13.2587
            2   C7a C     5.9547  -13.2765
            3   C1c C     6.3547  -12.6121
            4   O7a O     6.3276  -13.9626
            5   C8y C     7.1362  -12.6264
            6   C1b C     5.9784  -11.9259
            7   C8x C     7.5135  -13.3083
            8   C8x C     7.5443  -11.9476
            9   O1a O     6.3861  -11.2583
            10  C8x C     8.3052  -13.3262
            11  C8x C     8.3360  -11.9697
            12  C8x C     8.7197  -12.6664
            13  C1y C     4.7523  -12.5326
            14  C1x C     4.1581  -11.6344
            15  C1x C     4.1581  -12.2492
            16  C1y C     3.2943  -11.6344
            17  C1y C     3.2495  -12.2492
            18  N1y N     2.8000  -11.0884
            19  C1x C     2.6870  -11.9935
            20  C1y C     2.3650  -12.6449
            21  O1a O     1.7583  -12.0375
            22  C1a C     2.7958  -10.2375
BOND        24
            1     8  11 2
            2    10  12 2
            3    11  12 1
            4     1   2 1
            5     2   3 1
            6     2   4 2
            7     3   5 1
            8     3   6 1 #Up
            9     5   7 2
            10    5   8 1
            11   13  14 1
            12   13  15 1
            13   14  16 1
            14   15  17 1
            15   16  18 1
            16   16  19 1
            17   17  20 1
            18   17  18 1
            19   19  20 1
            20    6   9 1
            21   20  21 1 #Up
            22   13   1 1 #Down
            23    7  10 1
            24   18  22 1


entry: C10843
name: --- - Apoatropine
formula: C17H21NO2
kcf:
ATOM        20
            1   O7a O     4.6907  -13.2587
            2   C7a C     5.4755  -13.2765
            3   C2c C     5.8797  -12.6121
            4   O7a O     5.8526  -13.9626
            5   C8y C     6.6612  -12.6264
            6   C2a C     5.4992  -11.9259
            7   C8x C     7.0343  -13.3083
            8   C8x C     7.0693  -11.9476
            9   C8x C     7.8260  -13.3262
            10  C8x C     7.8568  -11.9697
            11  C8x C     8.2405  -12.6664
            12  C1y C     4.2732  -12.5326
            13  C1x C     3.6831  -11.6344
            14  C1x C     3.6831  -12.2492
            15  C1y C     2.8193  -11.6344
            16  C1y C     2.7703  -12.2492
            17  N1y N     2.3208  -11.0884
            18  C1x C     2.2078  -11.9935
            19  C1x C     1.8900  -12.6449
            20  C1a C     2.3167  -10.2375
BOND        22
            1     8  10 2
            2     9  11 2
            3    10  11 1
            4     1   2 1
            5     2   3 1
            6     2   4 2
            7     3   5 1
            8     3   6 2
            9     5   7 2
            10    5   8 1
            11   12  13 1
            12   12  14 1
            13   13  15 1
            14   14  16 1
            15   15  17 1
            16   15  18 1
            17   16  19 1
            18   16  17 1
            19   18  19 1
            20   12   1 1 #Down
            21    7   9 1
            22   17  20 1


entry: C10844
name: --- - Apohyoscine - 1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester)
formula: C17H19NO3
kcf:
ATOM        21
            1   C1y C    15.7207  -14.2101
            2   C1x C    15.1139  -13.2869
            3   C1x C    15.1139  -13.9185
            4   C1y C    14.2251  -13.2869
            5   C1y C    14.1803  -13.9185
            6   N1y N    13.7142  -12.7285
            7   C1y C    13.6012  -13.6544
            8   C1y C    13.2750  -14.3267
            9   O7a O    16.3754  -14.7807
            10  C7a C    17.1378  -14.7773
            11  C2c C    17.5138  -14.1122
            12  O7a O    17.5034  -15.4458
            13  C8y C    18.2831  -14.1087
            14  C2a C    17.1309  -13.4547
            15  C8x C    18.6659  -14.7738
            16  C8x C    18.6591  -13.4478
            17  C8x C    19.4359  -14.7704
            18  C8x C    19.4255  -13.4444
            19  C8x C    19.8120  -14.1053
            20  O2x O    12.8333  -13.5666
            21  C1a C    13.7083  -11.9000
BOND        24
            1     1   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     4   7 1
            6     5   8 1
            7     5   6 1
            8     7   8 1
            9     1   9 1 #Down
            10    9  10 1
            11   10  11 1
            12   10  12 2
            13   11  13 1
            14   11  14 2
            15   13  15 2
            16   13  16 1
            17   15  17 1
            18   16  18 2
            19   17  19 2
            20   18  19 1
            21    1   2 1
            22    8  20 1 #Up
            23    7  20 1 #Up
            24    6  21 1


entry: C10845
name: --- - Belladonnine
formula: C34H42N2O4
kcf:
ATOM        40
            1   C8y C     6.9167  -11.5625
            2   C8x C     7.7333  -11.5625
            3   C8x C     8.1417  -10.8564
            4   C8x C     7.7333  -10.1502
            5   C8x C     6.9167  -10.1502
            6   C8x C     6.5083  -10.8564
            7   C1y C     4.0917  -11.5667
            8   C1x C     3.5266  -10.7101
            9   C1x C     3.5266  -11.2958
            10  C1y C     2.6961  -10.7101
            11  C1y C     2.6513  -11.2958
            12  N1y N     2.2185  -10.1850
            13  C1x C     2.1096  -11.0526
            14  C1x C     1.8043  -11.6790
            15  C1a C     2.2143   -9.3674
            16  C1y C     4.7833  -14.4167
            17  C1x C     4.2141  -13.5560
            18  C1x C     4.2141  -14.1417
            19  C1y C     3.3836  -13.5560
            20  C1y C     3.3388  -14.1417
            21  N1y N     2.9060  -13.0308
            22  C1x C     2.7971  -13.8984
            23  C1x C     2.4918  -14.5249
            24  C1a C     2.9018  -12.2133
            25  C1z C     6.2083  -11.9750
            26  C1x C     5.5000  -12.3792
            27  C1x C     5.4953  -13.1957
            28  C1y C     6.1989  -13.6080
            29  C8y C     6.9161  -12.3873
            30  C8y C     6.9081  -13.1996
            31  C8x C     7.6064  -13.6127
            32  C8x C     8.3128  -13.2135
            33  C8x C     8.3208  -12.4012
            34  C8x C     7.6225  -11.9881
            35  C7a C     6.1958  -14.4208
            36  O7a O     5.4917  -14.8250
            37  O7a O     6.9042  -14.8292
            38  C7a C     5.5042  -11.5667
            39  O7a O     4.8000  -11.9750
            40  O7a O     5.5000  -10.7500
BOND        46
            1    16  17 1
            2    16  18 1
            3    17  19 1
            4    18  20 1
            5    19  21 1
            6    19  22 1
            7    20  23 1
            8    20  21 1
            9    22  23 1
            10    8  10 1
            11   21  24 1
            12    9  11 1
            13   10  12 1
            14   10  13 1
            15   11  14 1
            16   25  26 1
            17   26  27 1
            18   27  28 1
            19   28  30 1
            20   29  25 1
            21   11  12 1
            22   13  14 1
            23    1   2 2
            24   12  15 1
            25    2   3 1
            26    3   4 2
            27   29  30 2
            28   30  31 1
            29   31  32 2
            30   32  33 1
            31   33  34 2
            32   34  29 1
            33    4   5 1
            34   28  35 1 #Up
            35    5   6 2
            36   35  36 1
            37   16  36 1 #Down
            38    6   1 1
            39   35  37 2
            40   25  38 1 #Up
            41    7   8 1
            42   38  39 1
            43    7  39 1 #Down
            44    7   9 1
            45   38  40 2
            46   25   1 1 #Down


entry: C10846
name: --- - Bellendine
formula: C12H15NO2
kcf:
ATOM        15
            1   C1x C     3.9431   -5.3060
            2   C1y C     3.3668   -4.3703
            3   C1y C     3.2428   -4.8935
            4   N1y N     2.8976   -3.8993
            5   C1x C     2.8012   -4.6753
            6   C1x C     2.5250   -5.2350
            7   C1a C     2.8959   -3.1625
            8   C8y C     4.0681   -4.3703
            9   C8y C     4.5729   -5.0986
            10  O2x O     5.4934   -5.0922
            11  C8x C     5.9089   -4.2700
            12  C8y C     5.4083   -3.4959
            13  C8y C     4.4878   -3.5064
            14  O5x O     4.0208   -2.7459
            15  C1a C     5.8625   -2.7000
BOND        17
            1     4   7 1
            2     9   1 1
            3     8   2 1
            4     1   3 1
            5     2   4 1
            6     2   5 1
            7     3   6 1
            8     8   9 2
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13   8 1
            14    3   4 1
            15   13  14 2
            16    5   6 1
            17   12  15 1


entry: C10847
name: --- - Benzoylecgonine
formula: C16H19NO4
kcf:
ATOM        21
            1   O7a O     5.8108  -12.3465
            2   C7a C     6.2004  -13.1430
            3   C8y C     6.9521  -13.1396
            4   O7a O     5.8383  -13.7430
            5   C8x C     7.3280  -13.7913
            6   C8x C     7.3245  -12.4878
            7   C8x C     8.0797  -13.7913
            8   C8x C     8.0832  -12.4878
            9   C8x C     8.4590  -13.1396
            10  C1y C     4.8690  -12.5576
            11  C1y C     4.2789  -11.6594
            12  C1x C     4.2789  -12.2743
            13  C1y C     3.4151  -11.6594
            14  C1y C     3.3662  -12.2743
            15  N1y N     2.9167  -11.1134
            16  C1x C     2.8036  -12.0185
            17  C1x C     2.4858  -12.6699
            18  C1a C     2.9125  -10.2625
            19  C6a C     4.6625  -10.9333
            20  O6a O     5.4834  -10.9125
            21  O6a O     4.2458  -10.2166
BOND        23
            1     2   3 1
            2     2   4 2
            3     3   5 1
            4     3   6 2
            5     5   7 2
            6     6   8 1
            7     7   9 1
            8     8   9 2
            9     1   2 1
            10   10  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   14  15 1
            18   16  17 1
            19   15  18 1
            20   11  19 1 #Up
            21   19  20 1
            22   19  21 2
            23   10   1 1 #Up


entry: C10848
name: --- - Tropacocaine
formula: C15H19NO2
kcf:
ATOM        18
            1   C1y C     4.8607  -12.5159
            2   C1x C     4.2748  -11.6177
            3   C1x C     4.2748  -12.2284
            4   C1y C     3.4109  -11.6177
            5   C1y C     3.3620  -12.2284
            6   N1y N     2.9125  -11.0676
            7   C1x C     2.7994  -11.9727
            8   C1x C     2.4816  -12.6241
            9   C1a C     2.9083  -10.2166
            10  O7a O     5.7139  -12.2353
            11  C7a C     6.1043  -13.0378
            12  C8y C     6.8602  -13.0344
            13  O7a O     5.7422  -13.6419
            14  C8x C     7.2361  -13.6902
            15  C8x C     7.2326  -12.3784
            16  C8x C     7.9919  -13.6902
            17  C8x C     7.9954  -12.3784
            18  C8x C     8.3754  -13.0344
BOND        20
            1     7   8 1
            2     6   9 1
            3     1  10 1 #Up
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     3   5 1
            8     4   6 1
            9     4   7 1
            10    5   8 1
            11    5   6 1
            12   10  11 1
            13   11  12 1
            14   11  13 2
            15   12  14 1
            16   12  15 2
            17   14  16 2
            18   15  17 1
            19   16  18 1
            20   17  18 2


entry: C10849
name: --- - Brugine
formula: C12H19NO2S2
kcf:
ATOM        17
            1   C1y C     6.5471  -12.6082
            2   C1x C     7.3142  -12.6078
            3   C1x C     7.5521  -11.8783
            4   S3x S     6.9320  -11.4296
            5   S3x S     6.3084  -11.8791
            6   O7a O     5.3657  -13.2545
            7   C7a C     6.1463  -13.2723
            8   O7a O     6.5193  -13.9543
            9   C1y C     4.9482  -12.5326
            10  C1x C     4.3622  -11.6385
            11  C1x C     4.3622  -12.2492
            12  C1y C     3.5026  -11.6385
            13  C1y C     3.4536  -12.2492
            14  N1y N     3.0042  -11.0926
            15  C1x C     2.8953  -11.9935
            16  C1x C     2.5775  -12.6408
            17  C1a C     3.0000  -10.2458
BOND        19
            1     3   4 1
            2     4   5 1
            3     5   1 1
            4     1   2 1
            5     2   3 1
            6     6   7 1
            7     1   7 1 #Up
            8     9  10 1
            9     9  11 1
            10   10  12 1
            11   11  13 1
            12   12  14 1
            13   12  15 1
            14   13  16 1
            15   13  14 1
            16   15  16 1
            17    9   6 1 #Down
            18    7   8 2
            19   14  17 1


entry: C10850
name: --- - Calystegin A3
formula: C7H13NO3
kcf:
ATOM        11
            1   O1a O    14.4824   -8.1503
            2   C1y C    13.6648   -8.2659
            3   C1x C    13.0997   -7.4052
            4   C1y C    13.0997   -7.9951
            5   C1y C    12.2734   -7.4052
            6   C1z C    12.2244   -7.9951
            7   N1x N    11.7958   -6.8843
            8   C1x C    11.6869   -7.7477
            9   C1x C    11.3816   -8.3741
            10  O1a O    13.0916   -8.7792
            11  O1a O    12.2166   -8.7792
BOND        12
            1     2   4 1
            2     3   5 1
            3     4   6 1
            4     5   7 1
            5     5   8 1
            6     6   9 1
            7     6   7 1
            8     8   9 1
            9     2   1 1 #Up
            10    4  10 1 #Down
            11    2   3 1
            12    6  11 1


entry: C10851
name: --- - Calystegin B2
formula: C7H13NO4
kcf:
ATOM        12
            1   O1a O    10.8574   -8.4420
            2   C1y C    10.0398   -8.5575
            3   C1y C     9.4747   -7.6968
            4   C1y C     9.4747   -8.2867
            5   C1y C     8.6484   -7.6968
            6   C1z C     8.5994   -8.2867
            7   N1x N     8.1708   -7.1759
            8   C1x C     8.0619   -8.0393
            9   C1x C     7.7566   -8.6657
            10  O1a O     9.4666   -9.0708
            11  O1a O     8.5916   -9.0708
            12  O1a O     9.8666   -6.9708
BOND        13
            1     2   4 1
            2     3   5 1
            3     4   6 1
            4     5   7 1
            5     5   8 1
            6     6   9 1
            7     6   7 1
            8     8   9 1
            9     2   1 1 #Up
            10    4  10 1 #Down
            11    2   3 1
            12    6  11 1
            13    3  12 1 #Down


entry: C10852
name: --- - Cinnamoylcocaine
formula: C19H23NO4
kcf:
ATOM        24
            1   C8y C     7.4614  -13.4496
            2   C8x C     7.8717  -14.1612
            3   C8x C     8.6941  -14.1627
            4   C8x C     9.1024  -13.4549
            5   C8x C     8.6962  -12.7434
            6   C8x C     7.8775  -12.7397
            7   O7a O     4.9767  -13.4644
            8   C7a C     5.4787  -12.7602
            9   O7a O     5.0182  -12.0560
            10  C1y C     4.2399  -12.2326
            11  C1y C     3.6664  -11.3552
            12  C1x C     3.6664  -11.9534
            13  C1y C     2.8234  -11.3552
            14  C1y C     2.7745  -11.9534
            15  N1y N     2.3375  -10.8175
            16  C1x C     2.2287  -11.7019
            17  C1x C     1.9150  -12.3408
            18  C1a C     2.3334   -9.9917
            19  C7a C     4.0416  -10.6458
            20  O7a O     4.8417  -10.6250
            21  O7a O     3.6333   -9.9458
            22  C1a C     5.2375   -9.9292
            23  C2b C     6.2217  -12.7609
            24  C2b C     6.6406  -13.4630
BOND        26
            1     7   8 2
            2     2   3 1
            3     8   9 1
            4     3   4 2
            5     4   5 1
            6     5   6 2
            7     6   1 1
            8    10  11 1
            9    10  12 1
            10   11  13 1
            11   12  14 1
            12   13  15 1
            13   13  16 1
            14   14  17 1
            15   14  15 1
            16   16  17 1
            17   15  18 1
            18   11  19 1 #Up
            19   19  20 1
            20   19  21 2
            21   20  22 1
            22   10   9 1 #Up
            23    8  23 1
            24    1   2 2
            25   23  24 2
            26   24   1 1


entry: C10853
name: --- - Cochlearine
formula: C15H19NO3
kcf:
ATOM        19
            1   C8y C     5.9083  -12.6083
            2   C8x C     6.6875  -12.6083
            3   C8y C     7.0771  -11.9336
            4   C8x C     6.6875  -11.2588
            5   C8x C     5.9083  -11.2588
            6   C8x C     5.5188  -11.9336
            7   O7a O     4.7199  -13.2587
            8   C7a C     5.5047  -13.2765
            9   O7a O     5.8818  -13.9626
            10  C1y C     4.3023  -12.5326
            11  C1x C     3.7122  -11.6344
            12  C1x C     3.7122  -12.2492
            13  C1y C     2.8484  -11.6344
            14  C1y C     2.7995  -12.2492
            15  N1y N     2.3500  -11.0884
            16  C1x C     2.2370  -11.9935
            17  C1x C     1.9191  -12.6449
            18  C1a C     2.3458  -10.2375
            19  O1a O     7.8542  -11.9333
BOND        21
            1     3   4 1
            2     4   5 2
            3     5   6 1
            4     6   1 2
            5     1   2 1
            6     2   3 2
            7     7   8 1
            8    10  11 1
            9    10  12 1
            10   11  13 1
            11   12  14 1
            12   13  15 1
            13   13  16 1
            14   14  17 1
            15   14  15 1
            16   16  17 1
            17   10   7 1 #Down
            18    8   1 1
            19   15  18 1
            20    8   9 2
            21    3  19 1


entry: C10854
name: --- - Convolamine
formula: C17H23NO4
kcf:
ATOM        22
            1   C8y C     6.4292  -12.7792
            2   C8x C     7.2125  -12.7792
            3   C8x C     7.6021  -12.1002
            4   C8y C     7.2125  -11.4213
            5   C8y C     6.4292  -11.4213
            6   C8x C     6.0354  -12.1002
            7   O7a O     5.2324  -13.4337
            8   C7a C     6.0213  -13.4515
            9   O7a O     6.4026  -14.1376
            10  C1y C     4.8148  -12.7034
            11  C1x C     4.2206  -11.8010
            12  C1x C     4.2206  -12.4159
            13  C1y C     3.3526  -11.8010
            14  C1y C     3.3036  -12.4159
            15  N1y N     2.8500  -11.2509
            16  C1x C     2.7370  -12.1602
            17  C1x C     2.4191  -12.8158
            18  C1a C     2.8458  -10.3958
            19  O2a O     7.5958  -10.7458
            20  O2a O     6.0417  -10.7417
            21  C1a C     6.4333  -10.0625
            22  C1a C     7.2083  -10.0708
BOND        24
            1     6   1 2
            2     1   2 1
            3     2   3 2
            4     7   8 1
            5    10  11 1
            6    10  12 1
            7    11  13 1
            8    12  14 1
            9    13  15 1
            10   13  16 1
            11   14  17 1
            12   14  15 1
            13   16  17 1
            14   10   7 1 #Down
            15    8   1 1
            16   15  18 1
            17    8   9 2
            18    4  19 1
            19    3   4 1
            20    5  20 1
            21    4   5 2
            22   20  21 1
            23    5   6 1
            24   19  22 1


entry: C10855
name: --- - Convoline
formula: C16H21NO5
kcf:
ATOM        22
            1   C8y C     6.4292  -12.7792
            2   C8x C     7.2125  -12.7792
            3   C8x C     7.6021  -12.1002
            4   C8y C     7.2125  -11.4213
            5   C8y C     6.4292  -11.4213
            6   C8x C     6.0354  -12.1002
            7   O7a O     5.2324  -13.4337
            8   C7a C     6.0213  -13.4515
            9   O7a O     6.4026  -14.1376
            10  C1y C     4.8148  -12.7034
            11  C1x C     4.2206  -11.8010
            12  C1x C     4.2206  -12.4159
            13  C1y C     3.3526  -11.8010
            14  C1y C     3.3036  -12.4159
            15  N1y N     2.8500  -11.2509
            16  C1x C     2.7370  -12.1602
            17  C1x C     2.4191  -12.8158
            18  O1b O     2.8458  -10.3958
            19  O2a O     7.5958  -10.7458
            20  O2a O     6.0417  -10.7417
            21  C1a C     6.4333  -10.0625
            22  C1a C     7.2083  -10.0708
BOND        24
            1     6   1 2
            2     1   2 1
            3     2   3 2
            4     7   8 1
            5    10  11 1
            6    10  12 1
            7    11  13 1
            8    12  14 1
            9    13  15 1
            10   13  16 1
            11   14  17 1
            12   14  15 1
            13   16  17 1
            14   10   7 1 #Down
            15    8   1 1
            16   15  18 1
            17    8   9 2
            18    4  19 1
            19    3   4 1
            20    5  20 1
            21    4   5 2
            22   20  21 1
            23    5   6 1
            24   19  22 1


entry: C10856
name: --- - Convolvine
formula: C16H21NO4
kcf:
ATOM        21
            1   C8y C     6.4333  -12.7750
            2   C8x C     7.2208  -12.7750
            3   C8x C     7.6146  -12.0961
            4   C8y C     7.2208  -11.4129
            5   C8y C     6.4333  -11.4129
            6   C8x C     6.0396  -12.0961
            7   O7a O     5.2324  -13.4337
            8   C7a C     6.0255  -13.4515
            9   O7a O     6.4068  -14.1460
            10  C1y C     4.8107  -12.6992
            11  C1x C     4.2164  -11.7927
            12  C1x C     4.2164  -12.4159
            13  C1y C     3.3443  -11.7927
            14  C1y C     3.2953  -12.4159
            15  N1x N     2.8417  -11.2426
            16  C1x C     2.7245  -12.1560
            17  C1x C     2.4066  -12.8158
            18  O2a O     7.6083  -10.7375
            19  O2a O     6.0458  -10.7333
            20  C1a C     6.4375  -10.0500
            21  C1a C     7.2167  -10.0583
BOND        23
            1     5   6 1
            2     6   1 2
            3     1   2 1
            4     2   3 2
            5     7   8 1
            6    10  11 1
            7    10  12 1
            8    11  13 1
            9    12  14 1
            10   13  15 1
            11   13  16 1
            12   14  17 1
            13   14  15 1
            14   16  17 1
            15   10   7 1 #Down
            16    8   1 1
            17    4  18 1
            18    8   9 2
            19    5  19 1
            20    3   4 1
            21   19  20 1
            22    4   5 2
            23   18  21 1


entry: C10857
name: --- - Darlingine
formula: C13H17NO2
kcf:
ATOM        16
            1   C1x C    14.2515   -7.0101
            2   C1y C    13.6751   -6.0745
            3   C1y C    13.5512   -6.5976
            4   N1y N    13.2059   -5.6077
            5   C1x C    13.1137   -6.3794
            6   C1x C    12.8375   -6.9392
            7   C1a C    13.2042   -4.8750
            8   C8y C    14.3723   -6.0745
            9   C8y C    14.8729   -6.7986
            10  O2x O    15.7934   -6.7922
            11  C8y C    16.2047   -5.9742
            12  C8y C    15.7041   -5.2042
            13  C8y C    14.7878   -5.2148
            14  O5x O    14.3292   -4.4584
            15  C1a C    16.1583   -4.4125
            16  C1a C    17.1199   -5.9653
BOND        18
            1     4   7 1
            2     9   1 1
            3     8   2 1
            4     1   3 1
            5     2   4 1
            6     2   5 1
            7     3   6 1
            8     8   9 2
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13   8 1
            14    3   4 1
            15   13  14 2
            16    5   6 1
            17   12  15 1
            18   11  16 1


entry: C10858
name: --- - Ecgonine
formula: C9H15NO3
kcf:
ATOM        13
            1   C1x C    11.9723   -6.0601
            2   C1y C    11.1502   -5.4786
            3   C1y C    11.1054   -6.0601
            4   N1y N    10.6726   -4.9577
            5   C1x C    10.5679   -5.8169
            6   C1x C    10.2666   -6.4392
            7   C1a C    10.6667   -4.1459
            8   C1y C    11.9723   -5.4786
            9   C1y C    12.5271   -6.3319
            10  O1a O    13.3459   -6.2542
            11  C6a C    12.3458   -4.7667
            12  O6a O    13.1500   -4.7417
            13  O6a O    11.9417   -4.0625
BOND        14
            1     3   4 1
            2     5   6 1
            3     4   7 1
            4     9   1 1
            5     8   2 1
            6     8   9 1
            7     1   3 1
            8     9  10 1 #Up
            9     2   4 1
            10    8  11 1 #Up
            11    2   5 1
            12   11  12 1
            13    3   6 1
            14   11  13 2


entry: C10859
name: --- - Knightinol
formula: C17H23NO3
kcf:
ATOM        21
            1   C8y C    16.9583  -12.9625
            2   C8x C    17.3667  -13.6750
            3   C8x C    18.1837  -13.6776
            4   C8x C    18.5924  -12.9677
            5   C8x C    18.1883  -12.2594
            6   C8x C    17.3712  -12.2568
            7   C1x C    15.7598  -14.3018
            8   C1y C    14.9251  -13.7119
            9   C1y C    14.8803  -14.3018
            10  N1y N    14.4434  -13.1826
            11  C1x C    14.3345  -14.0544
            12  C1x C    14.0292  -14.6850
            13  C1a C    14.4375  -12.3583
            14  C1y C    15.7598  -13.7119
            15  C1y C    16.3230  -14.5777
            16  O7a O    16.7250  -15.2833
            17  C1c C    16.1417  -12.9833
            18  O1a O    15.7292  -12.2708
            19  C7a C    17.5458  -15.2833
            20  C1a C    17.9500  -14.5750
            21  O7a O    17.9500  -15.9916
BOND        23
            1     7   9 1
            2     8  10 1
            3     8  11 1
            4     9  12 1
            5     9  10 1
            6    11  12 1
            7     6   1 1
            8    10  13 1
            9     1   2 2
            10   14  15 1
            11    2   3 1
            12   15  16 1 #Down
            13    3   4 2
            14   14  17 1 #Down
            15   17   1 1
            16    4   5 1
            17   17  18 1 #Either
            18    5   6 2
            19   16  19 1
            20   15   7 1
            21   19  20 1
            22   14   8 1
            23   19  21 2


entry: C10860
name: --- - Littorine
formula: C17H23NO3
kcf:
ATOM        21
            1   C1y C    11.5106  -10.1117
            2   O7a O    11.8913  -10.8101
            3   C7a C    12.6868  -10.8322
            4   C1c C    13.1059  -10.1519
            5   C1b C    13.9014  -10.1741
            6   O7a O    13.0674  -11.5388
            7   C1x C    10.9372   -9.2386
            8   C1x C    10.9372   -9.8326
            9   C1y C    10.1026   -9.2386
            10  C1y C    10.0537   -9.8326
            11  N1y N     9.6167   -8.7051
            12  C1x C     9.5037   -9.5852
            13  C1x C     9.1983  -10.2157
            14  C1a C     9.6125   -7.8791
            15  O1a O    12.7000   -9.4542
            16  C8y C    14.3294   -9.4714
            17  C8x C    15.1494   -9.4945
            18  C8x C    15.5815   -8.7959
            19  C8x C    15.1890   -8.0745
            20  C8x C    14.3685   -8.0516
            21  C8x C    13.9405   -8.7502
BOND        23
            1     1   8 1
            2     7   9 1
            3     8  10 1
            4     9  11 1
            5     9  12 1
            6    10  13 1
            7    10  11 1
            8    12  13 1
            9     3   4 1
            10   11  14 1
            11    4  15 1 #Down
            12    5  16 1
            13    4   5 1
            14    3   6 2
            15    1   2 1 #Down
            16    2   3 1
            17    1   7 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  16 1


entry: C10861
name: --- - Meteloidine
formula: C13H21NO4
kcf:
ATOM        18
            1   C1y C    14.5065   -7.6076
            2   O7a O    14.8871   -8.3143
            3   C7a C    15.6868   -8.3364
            4   C2c C    16.1100   -7.6520
            5   C2b C    16.9098   -7.6741
            6   O7a O    16.0673   -9.0429
            7   C1x C    13.9289   -6.7343
            8   C1x C    13.9289   -7.3326
            9   C1y C    13.0859   -6.7343
            10  C1y C    13.0369   -7.3326
            11  N1y N    12.6000   -6.1967
            12  C1y C    12.4911   -7.0810
            13  C1y C    12.1817   -7.7158
            14  C1a C    12.5958   -5.3667
            15  C1a C    15.7000   -6.9500
            16  O1a O    11.8875   -6.7333
            17  O1a O    11.4750   -7.3125
            18  C1a C    17.3376   -6.9712
BOND        19
            1     2   3 1
            2     3   6 2
            3     1   7 1
            4     1   8 1
            5     7   9 1
            6     8  10 1
            7     9  11 1
            8     9  12 1
            9    10  13 1
            10   10  11 1
            11   12  13 1
            12    1   2 1 #Down
            13   11  14 1
            14    3   4 1
            15    4  15 1
            16   12  16 1 #Up
            17    4   5 2
            18   13  17 1 #Up
            19    5  18 1


entry: C10862
name: --- - Norhyoscyamine
formula: C16H21NO3
kcf:
ATOM        20
            1   O7a O     4.6907  -13.0545
            2   C7a C     5.4797  -13.0723
            3   C1c C     5.8797  -12.4038
            4   O7a O     5.8526  -13.7626
            5   C8y C     6.6654  -12.4181
            6   C1b C     5.5034  -11.7134
            7   C8x C     7.0426  -13.1042
            8   C8x C     7.0734  -11.7351
            9   O1a O     5.9111  -11.0458
            10  C8x C     7.8385  -13.1221
            11  C8x C     7.8693  -11.7614
            12  C8x C     8.2572  -12.4581
            13  C1y C     4.2690  -12.3242
            14  C1x C     3.6706  -11.4219
            15  C1x C     3.6706  -12.0409
            16  C1y C     2.8026  -11.4219
            17  C1y C     2.7578  -12.0409
            18  N1x N     2.3083  -10.8717
            19  C1x C     2.1953  -11.7852
            20  C1x C     1.8691  -12.4366
BOND        22
            1     6   9 1
            2     7  10 1
            3     8  11 2
            4    10  12 2
            5    11  12 1
            6     1   2 1
            7     2   3 1
            8     2   4 2
            9     3   5 1
            10    3   6 1 #Down
            11    5   7 2
            12    5   8 1
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   16  19 1
            19   17  20 1
            20   17  18 1
            21   19  20 1
            22   13   1 1 #Down


entry: C10863
name: --- - Phyllalbine
formula: C16H21NO4
kcf:
ATOM        21
            1   C8y C     5.6458  -12.6125
            2   C8x C     6.4292  -12.6125
            3   C8y C     6.8187  -11.9336
            4   C8y C     6.4292  -11.2546
            5   C8x C     5.6458  -11.2546
            6   C8x C     5.2521  -11.9336
            7   O7a O     4.4490  -13.2629
            8   C7a C     5.2380  -13.2806
            9   O7a O     5.6193  -13.9710
            10  C1y C     4.0315  -12.5326
            11  C1x C     3.4372  -11.6302
            12  C1x C     3.4372  -12.2492
            13  C1y C     2.5693  -11.6302
            14  C1y C     2.5203  -12.2492
            15  N1y N     2.0667  -11.0842
            16  C1x C     1.9536  -11.9935
            17  C1x C     1.6358  -12.6491
            18  C1a C     2.0625  -10.2292
            19  O1a O     6.8167  -10.5750
            20  O2a O     7.5958  -11.9333
            21  C1a C     7.9875  -11.2542
BOND        23
            1     5   6 1
            2     6   1 2
            3     1   2 1
            4     2   3 2
            5     7   8 1
            6    10  11 1
            7    10  12 1
            8    11  13 1
            9    12  14 1
            10   13  15 1
            11   13  16 1
            12   14  17 1
            13   14  15 1
            14   16  17 1
            15   10   7 1 #Down
            16    8   1 1
            17   15  18 1
            18    8   9 2
            19    4  19 1
            20    3   4 1
            21    3  20 1
            22    4   5 2
            23   20  21 1


entry: C10864
name: --- - Physoperuvine
formula: C8H15NO
kcf:
ATOM        10
            1   C1x C    17.4482  -15.6118
            2   C1x C    16.8872  -14.7594
            3   C1x C    16.8872  -15.3451
            4   C1z C    16.0651  -14.7594
            5   C1y C    16.0203  -15.3451
            6   N1y N    15.5917  -14.2384
            7   C1x C    15.4828  -15.1019
            8   C1x C    15.1816  -15.7200
            9   C1a C    15.5875  -13.4542
            10  O1a O    16.6167  -14.1959
BOND        11
            1     1   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     4   7 1
            6     5   8 1
            7     5   6 1
            8     7   8 1
            9     6   9 1
            10    1   2 1
            11    4  10 1


entry: C10865
name: --- - Pseudopelletierine
formula: C9H15NO
kcf:
ATOM        11
            1   N1y N     4.2333  -11.6875
            2   C1x C     4.4169  -12.1719
            3   C1y C     4.4169  -12.7117
            4   C1y C     5.1724  -12.1719
            5   C1x C     5.2172  -12.7117
            6   C1x C     5.7089  -12.4893
            7   C5x C     5.9892  -13.0574
            8   C1x C     3.7958  -12.5333
            9   C1x C     3.6083  -13.2292
            10  C1a C     4.2292  -10.6292
            11  O5x O     6.4958  -13.5667
BOND        12
            1     5   7 1
            2     6   7 1
            3     2   8 1
            4     2   4 1
            5     8   9 1
            6     3   9 1
            7     1   3 1
            8     4   1 1
            9     3   5 1
            10    1  10 1
            11    4   6 1
            12    7  11 2


entry: C10866
name: --- - Scopoline
formula: C8H13NO2
kcf:
ATOM        11
            1   C1y C     6.4065  -12.6867
            2   C1x C     5.8956  -11.9052
            3   C1x C     5.8956  -12.4409
            4   C1y C     5.1443  -11.9052
            5   C1y C     5.1036  -12.4409
            6   N1y N     4.7125  -11.4301
            7   C1y C     4.6120  -12.2185
            8   C1y C     4.3358  -12.7824
            9   C1a C     4.7083  -10.7125
            10  O1a O     4.0750  -11.9042
            11  O2x O     5.4125  -13.4875
BOND        13
            1     2   4 1
            2     3   5 1
            3     4   6 1
            4     4   7 1
            5     5   8 1
            6     5   6 1
            7     7   8 1
            8     6   9 1
            9     1   2 1
            10    7  10 1 #Up
            11    1   3 1
            12    8  11 1
            13    1  11 1


entry: C10867
formula: C17H19NO2
name:
--- 
- Strobamine
- Cyclohepta(6)pyran-5,8-imin-4(5H)-one, 2,3,6,7,8,9-hexahydro-10-methyl-2-phenyl-,(2alpha,5beta,8beta)-(+)-

kcf:
ATOM        20
            1   C1x C     8.5015   -6.9893
            2   C1y C     7.9418   -6.0787
            3   C1y C     7.8220   -6.5851
            4   N1y N     7.4851   -5.6202
            5   C1x C     7.3928   -6.3753
            6   C1x C     7.1250   -6.9183
            7   C1a C     7.4834   -4.9042
            8   C2y C     8.6223   -6.0787
            9   C2y C     9.1104   -6.7861
            10  O2x O    10.0059   -6.7797
            11  C1y C    10.4089   -5.9784
            12  C1x C     9.9208   -5.2292
            13  C5x C     9.0295   -5.2398
            14  O5x O     8.5792   -4.5000
            15  C8y C    11.2991   -5.9694
            16  C8x C    11.7509   -6.7388
            17  C8x C    12.6411   -6.7299
            18  C8x C    13.0784   -5.9548
            19  C8x C    12.6256   -5.1845
            20  C8x C    11.7354   -5.1935
BOND        23
            1     2   5 1
            2     3   6 1
            3     8   9 2
            4     9  10 1
            5    10  11 1
            6    11  12 1
            7    12  13 1
            8    13   8 1
            9     3   4 1
            10   13  14 2
            11    5   6 1
            12   11  15 1 #Up
            13    4   7 1
            14    9   1 1
            15    8   2 1
            16    1   3 1
            17    2   4 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   20  15 1


entry: C10868
name: --- - Tigloidine
formula: C13H21NO2
kcf:
ATOM        16
            1   O7a O    14.3208   -9.1083
            2   C7a C    14.7240   -9.7903
            3   C2c C    15.5188   -9.7849
            4   C2b C    15.9177  -10.4669
            5   O7a O    14.3245  -10.4800
            6   C1a C    15.8951   -9.0749
            7   C1a C    16.7385  -10.4607
            8   C1y C    13.5107   -9.2367
            9   C1x C    12.9456   -8.3718
            10  C1x C    12.9456   -8.9659
            11  C1y C    12.1109   -8.3718
            12  C1y C    12.0619   -8.9659
            13  N1y N    11.6292   -7.8425
            14  C1x C    11.5203   -8.7144
            15  C1x C    11.2108   -9.3449
            16  C1a C    11.6250   -7.0208
BOND        17
            1     2   5 2
            2     2   3 1
            3     3   6 1
            4     4   7 1
            5     3   4 2
            6     1   2 1
            7     8   9 1
            8     8  10 1
            9     9  11 1
            10   10  12 1
            11   11  13 1
            12   11  14 1
            13   12  15 1
            14   12  13 1
            15   14  15 1
            16   13  16 1
            17    8   1 1 #Up


entry: C10869
name: --- - Valeroidine
formula: C13H23NO3
kcf:
ATOM        17
            1   C1a C     7.6446  -13.2807
            2   C1y C     4.8440  -12.5034
            3   O7a O     5.2288  -13.2143
            4   C7a C     6.0327  -13.2364
            5   C1b C     6.4559  -12.5478
            6   C1c C     7.2598  -12.5699
            7   O7a O     6.4132  -13.9471
            8   C1x C     4.2664  -11.6260
            9   C1x C     4.2664  -12.2284
            10  C1y C     3.4193  -11.6260
            11  C1y C     3.3703  -12.2284
            12  N1y N     2.9292  -11.0884
            13  C1y C     2.8203  -11.9768
            14  C1x C     2.5066  -12.6158
            15  C1a C     2.9250  -10.2542
            16  O1a O     2.3208  -11.4792
            17  C1a C     7.6583  -11.8625
BOND        18
            1     5   6 1
            2     6   1 1
            3     3   4 1
            4     4   7 2
            5     2   8 1
            6     2   9 1
            7     8  10 1
            8     9  11 1
            9    10  12 1
            10   10  13 1
            11   11  14 1
            12   11  12 1
            13   13  14 1
            14    2   3 1 #Down
            15   12  15 1
            16    4   5 1
            17   13  16 1 #Up
            18    6  17 1


entry: C10870
name: --- - Phyllanthostatin A
formula: C29H30O13
kcf:
ATOM        42
            1   C1y C     5.0405   -1.7286
            2   C1y C     4.3269   -2.1238
            3   O2x O     4.3127   -2.9418
            4   C1y C     5.0100   -3.3610
            5   C1y C     5.7277   -2.9658
            6   C1y C     5.7439   -2.1514
            7   O7a O     3.2282   -1.2862
            8   O1a O     5.0560   -0.9121
            9   O1a O     6.4580   -1.7571
            10  O1a O     6.4259   -3.3876
            11  C1b C     4.9997   -4.1775
            12  O1a O     5.6985   -4.5983
            13  C8y C    -1.0125   -0.4583
            14  C8y C    -1.0125   -1.2750
            15  C8x C    -0.3046   -1.6833
            16  C8x C    -0.3046   -0.0500
            17  C8y C     0.4032   -0.4583
            18  C8y C     0.3997   -1.2750
            19  C8y C     1.1040   -1.6864
            20  C8y C     1.8119   -1.2811
            21  C8y C     1.8155   -0.4644
            22  C8x C     1.1111   -0.0531
            23  C8y C     1.1005   -2.5030
            24  C8x C     0.3952   -2.9062
            25  C8x C     0.3917   -3.7228
            26  C8x C     1.8075   -2.9123
            27  C8y C     1.8040   -3.7289
            28  C8y C     1.0929   -4.1338
            29  O2x O     1.2597   -4.9360
            30  C1x C     2.0737   -5.0278
            31  O2x O     2.4111   -4.2825
            32  O2a O    -1.7184   -0.0496
            33  O2a O    -1.7184   -1.6837
            34  C1a C    -2.4248   -0.4576
            35  C1a C    -2.4248   -1.2757
            36  C1b C     2.5275   -0.0592
            37  O7a O     3.2319   -0.4705
            38  C7a C     2.5205   -1.6925
            39  O7a O     2.5169   -2.5091
            40  C7a C     3.9398   -0.0653
            41  C1a C     4.6441   -0.4766
            42  O7a O     3.9433    0.7514
BOND        46
            1    19  20 2
            2    20  21 1
            3    21  22 2
            4    22  17 1
            5     4  11 1 #Up
            6    19  23 1
            7     5   6 1
            8    11  12 1
            9     6   1 1
            10   23  24 1
            11   24  25 2
            12   25  28 1
            13   27  26 1
            14   26  23 2
            15    2   7 1 #Up
            16    1   2 1
            17   13  14 1
            18   14  15 2
            19   27  28 2
            20   28  29 1
            21   29  30 1
            22   30  31 1
            23   31  27 1
            24   15  18 1
            25   13  32 1
            26   17  16 1
            27   14  33 1
            28   16  13 2
            29   32  34 1
            30    1   8 1 #Down
            31   33  35 1
            32    2   3 1
            33   21  36 1
            34    6   9 1 #Up
            35   36  37 1
            36    3   4 1
            37   20  38 1
            38   38   7 1
            39    5  10 1 #Down
            40   38  39 2
            41    4   5 1
            42   37  40 1
            43   17  18 2
            44   40  41 1
            45   18  19 1
            46   40  42 2


entry: C10871
name: --- - Picropodophyllin
formula: C22H22O8
kcf:
ATOM        30
            1   C8x C     4.9749  -12.7530
            2   C8y C     4.9749  -13.5822
            3   C8y C     5.6953  -13.9947
            4   C8y C     6.4115  -13.5822
            5   C8x C     6.4115  -12.7530
            6   C8y C     5.6953  -12.3364
            7   C8x C     4.2704  -11.5042
            8   C8x C     4.2704   -9.8458
            9   C8y C     4.9866  -10.2625
            10  C8y C     4.9830  -11.0917
            11  C1y C     5.6999  -11.5072
            12  C1y C     5.7070   -9.8489
            13  C1y C     6.4238  -10.2686
            14  C1y C     6.4179  -11.1016
            15  C7x C     7.2085  -11.3635
            16  O7x O     7.7004  -10.6922
            17  C1x C     7.2181  -10.0139
            18  C8y C     3.5500  -11.0917
            19  C8y C     3.5539  -10.2652
            20  O2x O     2.7688  -10.0032
            21  C1x C     2.2825  -10.6705
            22  O2x O     2.7626  -11.3421
            23  O7x O     7.7037  -11.8999
            24  O1a O     5.6854   -8.9697
            25  O2a O     7.1304  -13.9942
            26  O2a O     5.6963  -14.8238
            27  O2a O     4.2565  -13.9951
            28  C1a C     7.8446  -13.5811
            29  C1a C     3.5377  -13.5829
            30  C1a C     6.4155  -15.2396
BOND        34
            1    13  14 1
            2    14  15 1
            3    15  16 1
            4    16  17 1
            5    17  13 1
            6     9   8 1
            7     8  19 2
            8     2   3 1
            9     3   4 2
            10    4   5 1
            11   18  19 1
            12   19  20 1
            13   20  21 1
            14   21  22 1
            15   22  18 1
            16    5   6 2
            17   15  23 2
            18   11   6 1 #Down
            19    9  10 2
            20   12  24 1 #Down
            21   10  11 1
            22   11  14 1
            23   13  12 1
            24   12   9 1
            25    4  25 1
            26    6   1 1
            27    3  26 1
            28    2  27 1
            29    1   2 2
            30   25  28 1
            31   18   7 2
            32   27  29 1
            33    7  10 1
            34   26  30 1


entry: C10872
name: --- - Pinoresinol
formula: C20H22O6
kcf:
ATOM        26
            1   C8x C     6.4000  -10.0375
            2   C8y C     6.4000  -10.8666
            3   C8x C     7.1204  -11.2792
            4   C8y C     7.8366  -10.8666
            5   C8y C     7.8366  -10.0375
            6   C8x C     7.1204   -9.6208
            7   C8y C     2.2875  -13.3333
            8   C8y C     2.2875  -14.1624
            9   C8x C     3.0037  -14.5750
            10  C8x C     3.7240  -14.1624
            11  C8y C     3.7240  -13.3333
            12  C8x C     3.0037  -12.9166
            13  C1y C     5.7818  -11.3284
            14  O2x O     5.1083  -10.8416
            15  C1x C     4.4392  -11.3284
            16  C1y C     5.5208  -12.1167
            17  C1y C     4.6943  -12.1128
            18  C1y C     4.4407  -12.8979
            19  O2x O     5.1037  -13.3885
            20  C1x C     5.7755  -12.9041
            21  O2a O     1.5691  -12.9162
            22  O1a O     1.5691  -14.5753
            23  O1a O     8.5555   -9.6213
            24  O2a O     8.5555  -11.2786
            25  C1a C     9.2739  -10.8656
            26  C1a C     0.8503  -13.3326
BOND        29
            1    14  15 1
            2    15  17 1
            3     2   3 1
            4     3   4 2
            5     4   5 1
            6     5   6 2
            7     7   8 2
            8    16  17 1
            9    17  18 1
            10   18  19 1
            11   19  20 1
            12   20  16 1
            13   13   2 1 #Down
            14    8   9 1
            15    9  10 2
            16   18  11 1 #Down
            17   10  11 1
            18    7  21 1
            19   11  12 2
            20    8  22 1
            21   12   7 1
            22    6   1 1
            23    5  23 1
            24    1   2 2
            25    4  24 1
            26   16  13 1
            27   24  25 1
            28   13  14 1
            29   21  26 1


entry: C10873
name: --- - Plicatic acid
formula: C20H22O10
kcf:
ATOM        30
            1   C8y C     3.6292  -10.3166
            2   C8y C     3.6292  -11.1375
            3   C8x C     4.3453  -11.5458
            4   C8x C     4.3453   -9.9042
            5   C8y C     5.0532  -10.3166
            6   C8y C     5.0497  -11.1375
            7   C1y C     5.7582  -11.5489
            8   C1z C     6.4744  -11.1436
            9   C1z C     6.4779  -10.3227
            10  C1x C     5.7653   -9.9073
            11  C8y C     5.7547  -12.3739
            12  C8x C     5.0452  -12.7811
            13  C8y C     5.0417  -13.6020
            14  C8y C     5.7503  -14.0134
            15  C8y C     6.4664  -13.6081
            16  C8x C     6.4700  -12.7872
            17  C1b C     7.1900   -9.9134
            18  C6a C     7.1830  -11.5550
            19  O6a O     7.8951  -11.1497
            20  O6a O     7.1794  -12.3758
            21  O1a O     7.1750  -14.0195
            22  O1a O     5.7467  -14.8342
            23  O2a O     4.3296  -14.0073
            24  O2a O     2.9233   -9.9038
            25  O1a O     2.9233  -11.5462
            26  C1a C     2.2127  -10.3159
            27  C1a C     3.6170  -13.5959
            28  O1a O     6.4602  -12.0169
            29  O1a O     6.5011   -9.3708
            30  O1a O     7.8986  -10.3288
BOND        32
            1    13  14 2
            2    14  15 1
            3    15  16 2
            4    16  11 1
            5     5   6 2
            6     9  17 1 #Up
            7     6   7 1
            8     8  18 1 #Down
            9     7   8 1
            10   18  19 1
            11    8   9 1
            12   18  20 2
            13    9  10 1
            14   15  21 1
            15   10   5 1
            16   14  22 1
            17   13  23 1
            18    7  11 1 #Up
            19    1  24 1
            20    1   2 1
            21    2  25 1
            22    2   3 2
            23   24  26 1
            24    3   6 1
            25    5   4 1
            26   23  27 1
            27    4   1 2
            28    8  28 1 #Up
            29   11  12 2
            30    9  29 1 #Down
            31   12  13 1
            32   17  30 1


entry: C10874
name: --- - Podophyllotoxin
formula: C22H22O8
kcf:
ATOM        30
            1   C8x C    21.8565  -23.3707
            2   C8y C    21.8565  -24.7739
            3   C8y C    23.0758  -25.4791
            4   C8y C    24.2877  -24.7739
            5   C8x C    24.2877  -23.3707
            6   C8y C    23.0758  -22.6726
            7   C8x C    20.6603  -21.2641
            8   C8x C    20.6603  -18.4574
            9   C8y C    21.8724  -19.1557
            10  C8y C    21.8665  -20.5589
            11  C1y C    23.0797  -21.2692
            12  C1y C    23.0917  -18.4626
            13  C1y C    24.3048  -19.1660
            14  C1y C    24.2923  -20.5683
            15  C7x C    25.6158  -21.0185
            16  O7x O    26.4598  -19.8897
            17  C1x C    25.6429  -18.7393
            18  C8y C    19.4482  -20.5589
            19  C8y C    19.4548  -19.1601
            20  O2x O    18.1259  -18.7168
            21  C1x C    17.2959  -19.8529
            22  O2x O    18.1156  -20.9828
            23  O2a O    25.5046  -25.4783
            24  O2a O    23.0775  -26.8825
            25  O2a O    20.6405  -25.4798
            26  C1a C    26.7203  -24.7722
            27  C1a C    19.4311  -24.7753
            28  C1a C    24.2945  -27.5791
            29  O7x O    26.4798  -21.9903
            30  O1a O    23.0678  -16.7480
BOND        34
            1    14  15 1
            2    15  16 1
            3    16  17 1
            4    17  13 1
            5     9   8 1
            6     8  19 2
            7     2   3 1
            8     3   4 2
            9     4   5 1
            10   18  19 1
            11   19  20 1
            12   20  21 1
            13   21  22 1
            14   22  18 1
            15   11   6 1 #Down
            16    5   6 2
            17    9  10 2
            18    4  23 1
            19   10  11 1
            20    3  24 1
            21   11  14 1
            22    2  25 1
            23   13  12 1
            24   23  26 1
            25   12   9 1
            26   25  27 1
            27    6   1 1
            28   24  28 1
            29   15  29 2
            30    1   2 2
            31   18   7 2
            32    7  10 1
            33   13  14 1
            34   12  30 1 #Down


entry: C10875
name: --- - Podophyllotoxone
formula: C22H20O8
kcf:
ATOM        30
            1   C8x C     4.2703  -11.5583
            2   C8x C     4.2703   -9.9000
            3   C8y C     4.9865  -10.3166
            4   C8y C     4.9830  -11.1458
            5   C1y C     5.6999  -11.5614
            6   C5x C     5.7070   -9.9031
            7   C1y C     6.4238  -10.3227
            8   C1y C     6.4164  -11.1514
            9   C7x C     7.2025  -11.4132
            10  O7x O     7.6930  -10.7462
            11  C1x C     7.2143  -10.0749
            12  C8y C     3.5500  -11.1458
            13  C8y C     3.5539  -10.3193
            14  O2x O     2.7688  -10.0574
            15  C1x C     2.2824  -10.7246
            16  O2x O     2.7626  -11.3963
            17  C8y C     5.6976  -12.3906
            18  C8x C     4.9797  -12.8019
            19  C8y C     4.9773  -13.6310
            20  C8y C     5.6948  -14.0456
            21  C8y C     6.4145  -13.6351
            22  C8x C     6.4169  -12.8059
            23  O5x O     5.7105   -9.0739
            24  O7x O     7.6630  -12.0751
            25  O2a O     7.1320  -14.0497
            26  O2a O     5.6924  -14.8748
            27  O2a O     4.2575  -14.0415
            28  C1a C     7.8519  -13.6392
            29  C1a C     6.4098  -15.2934
            30  C1a C     3.5401  -13.6270
BOND        34
            1    14  15 1
            2    15  16 1
            3    16  12 1
            4     2  13 2
            5     5  17 1 #Down
            6    12   1 2
            7     1   4 1
            8     3   2 1
            9     7   8 1
            10   17  18 2
            11   18  19 1
            12   19  20 2
            13   20  21 1
            14   21  22 2
            15   22  17 1
            16    8   9 1
            17    6  23 2
            18    9  10 1
            19    9  24 2
            20   10  11 1
            21   11   7 1
            22    3   4 2
            23    4   5 1
            24   21  25 1
            25    5   8 1
            26   20  26 1
            27    7   6 1
            28   19  27 1
            29    6   3 1
            30   25  28 1
            31   12  13 1
            32   26  29 1
            33   13  14 1
            34   27  30 1


entry: C10876
name: --- - Podorhizol beta-D-glucoside
formula: C28H34O13
kcf:
ATOM        41
            1   C1y C     9.1291   -6.2417
            2   C8x C     5.5333   -6.2292
            3   C8x C     6.2495   -6.6417
            4   C8y C     6.9615   -6.2292
            5   C8x C     6.9615   -5.4042
            6   C7x C     9.3859   -5.4576
            7   O7x O     8.7166   -4.9708
            8   C1x C     8.0474   -5.4576
            9   C1y C     8.3041   -6.2417
            10  C1b C     7.6283   -6.6222
            11  C8y C     5.5333   -5.4042
            12  C8y C     6.2495   -4.9967
            13  O2x O     6.0833   -4.1896
            14  C1x C     5.2644   -4.0985
            15  O2x O     4.9245   -4.8490
            16  O7x O    10.0876   -5.0787
            17  C1c C     9.8216   -6.6430
            18  C8y C    10.5581   -6.2417
            19  C8x C    11.2704   -6.6579
            20  C8y C    11.9848   -6.2454
            21  C8y C    11.9848   -5.4204
            22  C8y C    11.2704   -5.0079
            23  C8x C    10.5559   -5.4204
            24  O2a O    11.2704   -4.1829
            25  O2a O    12.6993   -5.0079
            26  O2a O    12.6993   -6.6579
            27  O2a O     9.8353   -7.5375
            28  C1a C    11.9848   -3.7704
            29  C1a C    13.4138   -6.2454
            30  C1y C     7.5375   -8.0083
            31  C1y C     7.5375   -8.8333
            32  C1y C     8.2537   -9.2458
            33  C1y C     8.9657   -8.8333
            34  C1y C     8.9657   -8.0083
            35  O2x O     8.2537   -7.5958
            36  C1b C     6.8232   -7.5955
            37  O1a O     6.1086   -8.0076
            38  O1a O     6.8232   -9.2462
            39  O1a O     8.2547  -10.0708
            40  O1a O     9.6805   -9.2453
            41  C1a C    12.6993   -4.1829
BOND        45
            1    10   4 1
            2     3   4 2
            3     4   5 1
            4     5  12 2
            5    11  12 1
            6    12  13 1
            7    13  14 1
            8    14  15 1
            9    15  11 1
            10    6  16 2
            11   11   2 2
            12    1   6 1
            13    6   7 1
            14    7   8 1
            15    1  17 1
            16    8   9 1
            17    9   1 1
            18    2   3 1
            19    9  10 1 #Up
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  18 1
            26   22  24 1
            27   21  25 1
            28   20  26 1
            29   17  27 1 #Up
            30   24  28 1
            31   26  29 1
            32   17  18 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  30 1
            39   34  27 1 #Up
            40   30  36 1 #Up
            41   36  37 1
            42   31  38 1 #Down
            43   32  39 1 #Up
            44   33  40 1 #Down
            45   25  41 1


entry: C10877
name: --- - Prostalidin A
formula: C21H14O8
kcf:
ATOM        29
            1   C8x C     3.4370   -3.8667
            2   C8y C     3.4370   -2.2167
            3   C8y C     4.1490   -2.6292
            4   C8y C     4.1455   -3.4542
            5   C8y C     4.8582   -3.8697
            6   C8x C     4.8653   -2.2197
            7   C8y C     5.5780   -2.6353
            8   C8y C     5.5764   -3.4627
            9   C1x C     6.3629   -3.7199
            10  O7x O     6.8504   -3.0514
            11  C7x C     6.3654   -2.3810
            12  C8y C     2.7208   -3.4542
            13  C8y C     2.7247   -2.6318
            14  O2x O     1.9438   -2.3741
            15  C1x C     1.4574   -3.0371
            16  O2x O     1.9376   -3.7046
            17  C8y C     4.8531   -4.6947
            18  C8y C     4.1373   -5.0981
            19  C8x C     4.1322   -5.9231
            20  C8x C     5.5662   -5.1070
            21  C8y C     5.5611   -5.9319
            22  C8y C     4.8450   -6.3457
            23  O2x O     5.0172   -7.1547
            24  C1x C     5.8398   -7.2407
            25  O2x O     6.1759   -6.4851
            26  O7x O     6.6218   -1.5969
            27  O2a O     3.4359   -1.3917
            28  C1a C     4.1499   -0.9782
            29  O1a O     3.4263   -4.6798
BOND        34
            1     7   6 2
            2     6   3 1
            3    12  13 1
            4    13  14 1
            5    14  15 1
            6    15  16 1
            7    16  12 1
            8     2  13 2
            9     5  17 1
            10   12   1 2
            11    1   4 1
            12   17  18 1
            13   18  19 2
            14   19  22 1
            15   21  20 1
            16   20  17 2
            17    3   2 1
            18    7   8 1
            19    8   9 1
            20    9  10 1
            21   10  11 1
            22   21  22 2
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  21 1
            27   11   7 1
            28   11  26 2
            29    3   4 2
            30    2  27 1
            31    4   5 1
            32   27  28 1
            33    5   8 2
            34   18  29 1


entry: C10878
name: --- - Randainol
formula: C18H18O3
kcf:
ATOM        21
            1   C8x C    11.7167   -7.1791
            2   C8y C    11.7167   -8.0083
            3   C8y C    12.4370   -8.4208
            4   C8x C    13.1490   -8.0083
            5   C8y C    13.1490   -7.1791
            6   C8x C    12.4370   -6.7625
            7   O1a O    10.9982   -8.4212
            8   C1b C    13.8680   -6.7630
            9   C2b C    14.5863   -7.1802
            10  C2a C    15.3053   -6.7641
            11  C8y C    12.4381   -9.2500
            12  C8y C    11.7236   -9.6647
            13  C8x C    11.7246  -10.4939
            14  C8x C    12.4438  -10.9055
            15  C8y C    13.1578  -10.4921
            16  C8x C    13.1567   -9.6629
            17  O1a O    11.0046   -9.2487
            18  C2b C    13.8769  -10.9037
            19  C2b C    14.5950  -10.4903
            20  C1b C    15.3142  -10.9019
            21  O1a O    16.0271  -10.4867
BOND        22
            1     6   1 2
            2     3  11 1
            3     1   2 1
            4     2   7 1
            5     2   3 2
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14  15 1
            10   15  16 2
            11   16  11 1
            12    5   8 1
            13   12  17 1
            14    3   4 1
            15    8   9 1
            16   15  18 1
            17    4   5 2
            18   18  19 2
            19    9  10 2
            20   19  20 1
            21    5   6 1
            22   20  21 1


entry: C10879
name: --- - Saucernetin
formula: C22H28O5
kcf:
ATOM        27
            1   C8x C     6.9459  -11.2851
            2   C8y C     6.5334  -12.0037
            3   C8x C     6.9473  -12.7233
            4   C8x C     7.7744  -12.7221
            5   C8y C     8.1911  -12.0034
            6   C8y C     7.7766  -11.2860
            7   C8y C     2.3473  -11.2999
            8   C8y C     1.9434  -12.0276
            9   C8x C     2.3661  -12.7379
            10  C8x C     3.1930  -12.7267
            11  C8y C     3.6010  -12.0031
            12  C8x C     3.1779  -11.2908
            13  C1y C     5.4458  -12.7959
            14  C1y C     5.7068  -12.0075
            15  O2x O     5.0333  -11.5166
            16  C1y C     4.3558  -12.0075
            17  C1y C     4.6166  -12.7959
            18  O2a O     1.9265  -10.5860
            19  O2a O     1.1143  -12.0380
            20  O2a O     8.1942  -10.5721
            21  O2a O     9.0203  -12.0040
            22  C1a C     4.0324  -13.3847
            23  C1a C     6.0450  -13.4279
            24  C1a C     1.0974  -10.5956
            25  C1a C     0.6887  -11.3205
            26  C1a C     9.0233  -10.5731
            27  C1a C     9.4333  -11.2858
BOND        29
            1    14  15 1
            2    15  16 1
            3    16  17 1
            4    17  13 1
            5    16  11 1 #Down
            6    14   2 1 #Up
            7     4   5 1
            8     7  18 1
            9     5   6 2
            10    8  19 1
            11    7   8 1
            12    6  20 1
            13    8   9 2
            14    5  21 1
            15    9  10 1
            16   10  11 2
            17   11  12 1
            18   17  22 1 #Down
            19   12   7 2
            20    6   1 1
            21   13  23 1 #Up
            22    1   2 2
            23   18  24 1
            24    2   3 1
            25   19  25 1
            26    3   4 2
            27   20  26 1
            28   13  14 1
            29   21  27 1


entry: C10880
name: --- - Savinin
formula: C20H16O6
kcf:
ATOM        26
            1   C8x C     5.1894  -12.9853
            2   C8x C     5.1894  -13.8103
            3   C8x C     6.6176  -12.9853
            4   C8y C     5.9056  -12.5728
            5   C8y C     6.6176  -13.8103
            6   C8y C     5.9059  -14.2242
            7   O2x O     6.0797  -15.0290
            8   C1x C     6.8987  -15.1123
            9   O2x O     7.2312  -14.3592
            10  C8x C     4.3246  -11.5542
            11  C8x C     5.0366  -11.1417
            12  C8y C     5.0366  -10.3167
            13  C8x C     4.3246   -9.9042
            14  C8y C     3.6084  -11.1417
            15  C8y C     3.6108  -10.3150
            16  O2x O     2.8253  -10.0572
            17  C1x C     2.3375  -10.7246
            18  O2x O     2.8214  -11.3948
            19  C2b C     5.7513   -9.9047
            20  C2y C     6.4655  -10.3178
            21  C1y C     6.5527  -11.1338
            22  C1x C     7.3596  -11.3060
            23  O7x O     7.7726  -10.5918
            24  C7x C     7.2210   -9.9783
            25  O7x O     7.3915   -9.1711
            26  C1b C     5.9066  -11.8237
BOND        30
            1    12  13 2
            2    13  15 1
            3     5   3 1
            4     3   4 2
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8    14  15 2
            9    15  16 1
            10   16  17 1
            11   17  18 1
            12   18  14 1
            13    8   9 1
            14   12  19 1
            15    9   5 1
            16   19  20 2
            17    4   1 1
            18    1   2 2
            19    2   6 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  20 1
            25   14  10 1
            26   24  25 2
            27   10  11 2
            28   21  26 1 #Down
            29   11  12 1
            30   26   4 1


entry: C10881
name: --- - Schisantherin A
formula: C30H32O9
kcf:
ATOM        39
            1   C7a C     7.1735  -13.3774
            2   O7a O     7.8921  -12.9607
            3   O7a O     6.5381  -12.8774
            4   C8y C     7.1735  -14.2066
            5   C8x C     6.4588  -14.6168
            6   C8x C     6.4588  -15.4459
            7   C8x C     7.1774  -15.8626
            8   C8x C     7.8961  -15.4459
            9   C8x C     7.8961  -14.6168
            10  C8y C     4.5383  -11.5768
            11  C8y C     4.5030  -10.7761
            12  C8y C     3.7961  -11.7776
            13  C8y C     5.0762  -10.2382
            14  C8y C     3.5472  -12.6058
            15  O2a O     3.0093  -11.3941
            16  C1y C     5.9149  -12.1879
            17  C8x C     4.9210   -9.4272
            18  C1x C     5.8700  -10.2037
            19  O2a O     3.0058  -10.8588
            20  C8y C     4.1375  -13.1713
            21  C1a C     2.2154  -11.8190
            22  C1z C     6.3707  -11.6458
            23  C1y C     6.3707  -10.7347
            24  C1a C     2.3016  -10.4864
            25  O1a O     7.2941  -11.6565
            26  C1a C     7.0347  -10.2109
            27  C8y C     3.7391  -10.4646
            28  C8y C     5.0854  -12.1875
            29  C8x C     4.9543  -13.0288
            30  C8y C     4.0472   -9.1967
            31  O2x O     3.5996   -8.5034
            32  C1x C     2.7990   -8.7110
            33  O2x O     2.7502   -9.5368
            34  C8y C     3.5583   -9.8685
            35  O2a O     2.7451  -12.8158
            36  O2a O     3.8961  -13.9644
            37  C1a C     2.5280  -13.6159
            38  C1a C     3.0881  -14.1499
            39  C1a C     6.9572  -12.3324
BOND        43
            1    12  15 1
            2    28  29 2
            3    28  16 1
            4    13  17 1
            5    13  18 1
            6    27  34 2
            7    27  19 1
            8    14  20 2
            9    15  21 1
            10   16  22 1
            11   17  30 2
            12   18  23 1
            13   19  24 1
            14   22  25 1 #Down
            15   23  26 1 #Down
            16   22  23 1
            17    8   9 2
            18   11  27 1
            19    9   4 1
            20   10  28 1
            21    1   3 1
            22   20  29 1
            23    1   2 2
            24    1   4 1
            25    4   5 2
            26   30  31 1
            27   31  32 1
            28   32  33 1
            29   33  34 1
            30    5   6 1
            31   30  34 1
            32    6   7 2
            33   14  35 1
            34    7   8 1
            35   20  36 1
            36   10  11 1
            37   35  37 1
            38   10  12 2
            39   36  38 1
            40   11  13 2
            41   22  39 1 #Up
            42   16   3 1 #Up
            43   12  14 1


entry: C10882
name: --- - Sesamin
formula: C20H18O6
kcf:
ATOM        26
            1   C8x C     6.4651  -10.1212
            2   C8y C     6.4651  -10.9461
            3   C8x C     7.1813  -11.3586
            4   C8x C     7.1813   -9.7086
            5   C8y C     7.8892  -10.1212
            6   C8y C     7.8886  -10.9424
            7   O2x O     8.6696  -11.1967
            8   C1x C     9.1567  -10.5325
            9   O2x O     8.6703   -9.8678
            10  C1y C     5.7718  -11.3666
            11  O2x O     5.1025  -10.8799
            12  C1x C     4.4333  -11.3666
            13  C1y C     5.5150  -12.1507
            14  C1y C     4.6927  -12.1469
            15  C1y C     4.4348  -12.9279
            16  O2x O     5.0979  -13.4142
            17  C1x C     5.7655  -12.9341
            18  C8y C     3.6740  -13.3625
            19  C8x C     2.9579  -14.6041
            20  C8x C     3.6740  -14.1875
            21  C8x C     2.9579  -12.9542
            22  C8y C     2.2459  -14.1875
            23  C8y C     2.2483  -13.3608
            24  O2x O     1.4628  -13.1072
            25  C1x C     0.9750  -13.7746
            26  O2x O     1.4588  -14.4448
BOND        31
            1     5   6 2
            2     6   7 1
            3    13  14 1
            4    14  15 1
            5    15  16 1
            6    16  17 1
            7    17  13 1
            8     7   8 1
            9    15  18 1 #Down
            10    8   9 1
            11    9   5 1
            12    4   1 2
            13   22  19 1
            14   19  20 2
            15   20  18 1
            16   18  21 2
            17   21  23 1
            18    1   2 1
            19   13  10 1
            20   10  11 1
            21   11  12 1
            22   22  23 2
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  22 1
            27   10   2 1 #Down
            28   12  14 1
            29    2   3 2
            30    3   6 1
            31    5   4 1


entry: C10883
name: --- - Sesamolinol
formula: C20H20O7
kcf:
ATOM        27
            1   C8x C     6.7657   -9.8661
            2   C8y C     6.7657  -10.6911
            3   C8x C     7.4819  -11.1036
            4   C8x C     7.4819   -9.4536
            5   C8y C     8.1939   -9.8661
            6   C8y C     8.1934  -10.6874
            7   O1a O     8.9055   -9.4601
            8   O2a O     8.9047  -11.0980
            9   O2a O     6.0561  -11.1465
            10  C1y C     5.3135  -11.6666
            11  O2x O     4.6442  -11.1799
            12  C1x C     3.9750  -11.6666
            13  C1y C     5.0566  -12.4507
            14  C1y C     4.2343  -12.4469
            15  C1y C     3.9765  -13.2279
            16  O2x O     4.6396  -13.7142
            17  C1x C     5.3071  -13.2341
            18  C8y C     3.2157  -13.6666
            19  C8x C     2.4995  -14.9041
            20  C8x C     3.2157  -14.4917
            21  C8x C     2.4995  -13.2542
            22  C8y C     1.7875  -14.4917
            23  C8y C     1.7900  -13.6650
            24  O2x O     1.0045  -13.4072
            25  C1x C     0.5125  -14.0746
            26  O2x O     1.0006  -14.7448
            27  C1a C     9.6140  -10.6837
BOND        31
            1    13  14 1
            2    14  15 1
            3    15  16 1
            4    16  17 1
            5    17  13 1
            6     5   4 1
            7    15  18 1 #Down
            8     2   9 1
            9     4   1 2
            10   22  19 1
            11   19  20 2
            12   20  18 1
            13   18  21 2
            14   21  23 1
            15    1   2 1
            16   13  10 1
            17   10  11 1
            18   11  12 1
            19   12  14 1
            20   22  23 2
            21   23  24 1
            22   24  25 1
            23   25  26 1
            24   26  22 1
            25    5   6 2
            26    2   3 2
            27    5   7 1
            28    3   6 1
            29   10   9 1 #Down
            30    6   8 1
            31    8  27 1


entry: C10884
name: --- - Sesartemin
formula: C23H26O8
kcf:
ATOM        31
            1   C8x C     6.5383  -10.0947
            2   C8y C     6.5383  -10.9198
            3   C8x C     7.2544  -11.3322
            4   C8y C     7.2544   -9.6823
            5   C8y C     7.9645  -10.0933
            6   C8y C     7.9618  -10.9160
            7   O2x O     8.7437  -11.1743
            8   C1x C     9.2286  -10.5087
            9   O2x O     8.7480   -9.8401
            10  O2a O     7.2543   -8.8489
            11  C1a C     7.9730   -8.4322
            12  C1y C     5.8593  -11.4124
            13  O2x O     5.1942  -10.9258
            14  C1x C     4.5208  -11.4124
            15  C1y C     5.6067  -12.1966
            16  C1y C     4.7843  -12.1928
            17  C1y C     4.5224  -12.9737
            18  O2x O     5.1896  -13.4601
            19  C1x C     5.8530  -12.9799
            20  C8y C     3.7615  -13.4125
            21  C8y C     3.0454  -14.6500
            22  C8x C     3.7615  -14.2375
            23  C8x C     3.0454  -13.0000
            24  C8y C     2.3375  -14.2375
            25  C8y C     2.3399  -13.4109
            26  O2a O     3.0443  -15.4833
            27  O2a O     1.6136  -14.6523
            28  O2a O     1.6174  -12.9938
            29  C1a C     0.8944  -13.4101
            30  C1a C     0.8919  -14.2338
            31  C1a C     2.3251  -15.8990
BOND        35
            1     8   9 1
            2    15  16 1
            3    16  17 1
            4    17  18 1
            5    18  19 1
            6    19  15 1
            7     9   5 1
            8    17  20 1 #Down
            9     4   1 2
            10    4  10 1
            11   24  21 1
            12   21  22 2
            13   22  20 1
            14   20  23 2
            15   23  25 1
            16   10  11 1
            17    1   2 1
            18   24  25 2
            19    2   3 2
            20    3   6 1
            21   15  12 1
            22   12  13 1
            23   13  14 1
            24   21  26 1
            25   14  16 1
            26   24  27 1
            27    5   4 1
            28   25  28 1
            29    5   6 2
            30   28  29 1
            31    6   7 1
            32   27  30 1
            33    7   8 1
            34   12   2 1 #Down
            35   26  31 1


entry: C10885
name: --- - Simplexoside
formula: C26H30O11
kcf:
ATOM        37
            1   C1y C     8.5055   -9.2194
            2   C1y C     7.7972   -9.6535
            3   C1y C     7.8224  -10.4838
            4   O2x O     8.5455  -10.8766
            5   C1y C     9.2539  -10.4468
            6   C1y C     9.2350   -9.6200
            7   O1a O     9.9438   -9.1868
            8   O1a O     8.4858   -8.3905
            9   O1a O     7.0726   -9.2590
            10  O2a O     6.9897  -11.0229
            11  C1b C     9.9820  -10.8422
            12  C8x C     4.8507  -11.4364
            13  C8y C     4.8507  -12.2573
            14  C8x C     5.5628  -12.6697
            15  C8x C     5.5628  -11.0281
            16  C8y C     6.2728  -11.4350
            17  C8y C     6.2702  -12.2535
            18  C1y C     4.1760  -12.7499
            19  O2x O     3.5108  -12.2633
            20  C1x C     2.8416  -12.7499
            21  C1y C     3.9234  -13.5299
            22  C1y C     3.1052  -13.5261
            23  C1y C     2.8431  -14.3029
            24  O2x O     3.5062  -14.7851
            25  C1x C     4.1697  -14.3091
            26  C8y C     2.0907  -14.7375
            27  C8x C     1.3787  -15.9708
            28  C8x C     2.0907  -15.5583
            29  C8x C     1.3787  -14.3292
            30  C8y C     0.6737  -15.5527
            31  C8y C     0.6733  -14.7359
            32  O2x O    -0.1040  -14.4851
            33  C1x C    -0.5853  -15.1470
            34  O2x O    -0.1033  -15.8042
            35  O2a O     6.9853  -12.6690
            36  C1a C     7.7032  -12.2512
            37  O1a O    10.6907  -10.4128
BOND        42
            1    20  22 1
            2     3  10 1 #Up
            3     4   5 1
            4     5  11 1 #Up
            5     5   6 1
            6     6   1 1
            7    21  22 1
            8    22  23 1
            9    23  24 1
            10   24  25 1
            11   25  21 1
            12   23  26 1 #Down
            13    6   7 1 #Down
            14   12  13 1
            15   13  14 2
            16   30  27 1
            17   27  28 2
            18   28  26 1
            19   26  29 2
            20   29  31 1
            21   14  17 1
            22   16  15 1
            23   15  12 2
            24    1   2 1
            25   18  13 1 #Down
            26    1   8 1 #Up
            27   16  17 2
            28    2   3 1
            29    2   9 1 #Down
            30    3   4 1
            31   30  31 2
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   34  30 1
            36   21  18 1
            37   17  35 1
            38   18  19 1
            39   35  36 1
            40   16  10 1
            41   19  20 1
            42   11  37 1


entry: C10886
name: --- - Steganacin - (-)-Steganacin
formula: C24H24O9
kcf:
ATOM        33
            1   C8y C     2.5966   -5.4518
            2   C8y C     2.5655   -4.6553
            3   C8y C     1.8628   -5.6442
            4   C8y C     3.1304   -4.1216
            5   C8y C     1.6180   -6.4642
            6   O2a O     1.0801   -5.2691
            7   C1x C     3.9607   -6.0545
            8   C8x C     2.9752   -3.3188
            9   C1y C     3.9158   -4.0871
            10  C8y C     2.2000   -7.0297
            11  C1a C     0.2946   -5.6856
            12  C8y C     2.1097   -3.0925
            13  O2x O     1.6704   -2.4034
            14  C1x C     0.8782   -2.6110
            15  O2x O     0.8294   -3.4284
            16  O2a O     0.8243   -6.6742
            17  O2a O     1.9586   -7.8144
            18  C1a C     0.6072   -7.4659
            19  C1a C     1.1589   -7.9957
            20  C8x C     1.8058   -4.3479
            21  C8y C     1.6291   -3.7601
            22  C8y C     3.1396   -6.0541
            23  C8x C     2.9946   -6.8230
            24  O7a O     4.5518   -3.3957
            25  C7a C     5.2603   -2.9833
            26  C1a C     5.9748   -3.3917
            27  O7a O     5.2603   -2.1625
            28  C1y C     4.4082   -4.6181
            29  C1y C     4.4054   -5.5185
            30  C7x C     5.2647   -5.8020
            31  O7x O     5.8010   -5.0726
            32  C1x C     5.2692   -4.3399
            33  O7x O     5.5429   -6.6630
BOND        37
            1    10  17 1
            2     1   2 1
            3    16  18 1
            4     1   3 2
            5    17  19 1
            6     2   4 2
            7     3   5 1
            8     2  20 1
            9     3   6 1
            10   12  21 1
            11   22  23 2
            12    1  22 1
            13   22   7 1
            14   10  23 1
            15    4   8 1
            16    4   9 1
            17    9  24 1 #Down
            18   20  21 2
            19   24  25 1
            20    5  10 2
            21   25  26 1
            22    6  11 1
            23   25  27 2
            24    7  29 1
            25    8  12 2
            26    9  28 1
            27   12  13 1
            28   13  14 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  28 1
            34   14  15 1
            35   15  21 1
            36   30  33 2
            37    5  16 1


entry: C10887
name: --- - Styraxin
formula: C20H18O7
kcf:
ATOM        27
            1   C8x C     6.3959  -10.1250
            2   C8y C     6.3959  -10.9500
            3   C8x C     7.1121  -11.3625
            4   C8y C     7.8241  -10.9500
            5   C8y C     7.8241  -10.1250
            6   C8x C     7.1121   -9.7125
            7   C1y C     5.7010  -11.3708
            8   O2x O     5.0317  -10.8840
            9   C1x C     4.3625  -11.3708
            10  C1y C     5.4442  -12.1549
            11  C1y C     4.6219  -12.1510
            12  C1y C     4.3640  -12.9320
            13  O7x O     5.0271  -13.4184
            14  C7x C     5.6947  -12.9382
            15  O7x O     6.4781  -13.1968
            16  C8y C     3.5657  -13.4083
            17  C8x C     2.8537  -14.6458
            18  C8x C     3.5657  -14.2333
            19  C8x C     2.8537  -12.9958
            20  C8y C     2.1375  -14.2333
            21  C8y C     2.1414  -13.4110
            22  O2x O     1.3605  -13.1532
            23  C1x C     0.8741  -13.8163
            24  O2x O     1.3543  -14.4838
            25  O2a O     8.5388  -11.3619
            26  O1a O     8.5388   -9.7130
            27  C1a C     9.2530  -10.9489
BOND        31
            1     2   3 1
            2    10   7 1
            3    14  15 2
            4     7   8 1
            5    12  16 1 #Up
            6     8   9 1
            7     9  11 1
            8     3   4 2
            9    20  17 2
            10   17  18 1
            11   18  16 2
            12   16  19 1
            13   19  21 2
            14    4   5 1
            15    5   6 2
            16    6   1 1
            17   10  11 1
            18   20  21 1
            19   21  22 1
            20   22  23 1
            21   23  24 1
            22   24  20 1
            23   11  12 1
            24    7   2 1 #Up
            25   12  13 1
            26    4  25 1
            27   13  14 1
            28    5  26 1
            29   14  10 1
            30   25  27 1
            31    1   2 2


entry: C10888
name: --- - Surinamensin
formula: C22H28O6
kcf:
ATOM        28
            1   C8y C     2.2167  -12.3667
            2   C8y C     2.2167  -13.1875
            3   C8y C     2.9329  -13.6000
            4   C8x C     3.6407  -13.1875
            5   C8y C     3.6407  -12.3667
            6   C8x C     2.9329  -11.9583
            7   C1c C     4.3555  -11.9589
            8   C8y C     5.7713  -11.1401
            9   O2a O     5.0613  -10.7270
            10  C1c C     4.3549  -11.1390
            11  C8x C     5.7702  -11.9581
            12  C8x C     6.4843  -12.3670
            13  C8y C     7.1908  -11.9591
            14  C8x C     7.1914  -11.1383
            15  C8y C     6.4856  -10.7253
            16  O2a O     6.4848   -9.9045
            17  C2b C     7.9049  -12.3680
            18  C2b C     8.6155  -11.9602
            19  C1a C     9.3298  -12.3691
            20  O2a O     1.5107  -11.9580
            21  O2a O     1.5107  -13.6004
            22  O2a O     2.9339  -14.4208
            23  C1a C     0.7961  -12.3660
            24  C1a C     0.7961  -13.1882
            25  C1a C     2.2200  -14.8301
            26  C1a C     7.1906   -9.4955
            27  O1a O     5.1741  -12.3672
            28  C1a C     3.6279  -10.6181
BOND        29
            1    14  15 2
            2    15   8 1
            3     1   2 1
            4    15  16 1
            5     2   3 2
            6    13  17 1
            7     3   4 1
            8    17  18 2
            9     8   9 1
            10   18  19 1
            11    9  10 1
            12    1  20 1
            13   10   7 1
            14    2  21 1
            15    4   5 2
            16    3  22 1
            17    5   6 1
            18   20  23 1
            19    6   1 2
            20   21  24 1
            21   22  25 1
            22    5   7 1
            23   16  26 1
            24    8  11 2
            25    7  27 1 #Down
            26   11  12 1
            27   12  13 2
            28   10  28 1 #Up
            29   13  14 1


entry: C10889
name: --- - (+)-Syringaresinol
formula: C22H26O8
kcf:
ATOM        30
            1   C1y C     5.7843  -11.3542
            2   O2x O     5.1150  -10.8674
            3   C1x C     4.4458  -11.3542
            4   C1y C     5.5275  -12.1383
            5   C1y C     4.7052  -12.1344
            6   C1y C     4.4473  -12.9154
            7   O2x O     5.1104  -13.4018
            8   C1x C     5.7780  -12.9216
            9   C8y C     3.6484  -13.3949
            10  C8y C     2.9370  -14.6292
            11  C8x C     3.6490  -14.2167
            12  C8x C     2.9370  -12.9792
            13  C8y C     2.2208  -14.2167
            14  C8y C     2.2247  -13.3944
            15  C8y C     6.4818  -10.9337
            16  C8x C     6.4792  -10.1084
            17  C8x C     7.1954  -11.3459
            18  C8y C     7.9074  -10.9334
            19  C8y C     7.9074  -10.1084
            20  C8y C     7.1954   -9.6959
            21  O2a O     8.6221  -11.3453
            22  O1a O     8.6221   -9.6964
            23  C1a C     9.3363  -10.9323
            24  O2a O     7.1965   -8.8709
            25  C1a C     7.9115   -8.4593
            26  O2a O     1.5104  -12.9817
            27  O1a O     1.5056  -14.6279
            28  O2a O     2.9381  -15.4542
            29  C1a C     0.7958  -13.3940
            30  C1a C     2.2241  -15.8676
BOND        33
            1    13  14 1
            2     7   8 1
            3     8   4 1
            4     1  15 1 #Down
            5     4   1 1
            6     1   2 1
            7     6   9 1 #Down
            8     2   3 1
            9     3   5 1
            10   15  17 1
            11   17  18 2
            12   18  19 1
            13   19  20 2
            14   20  16 1
            15   18  21 1
            16   19  22 1
            17   21  23 1
            18   16  15 2
            19    4   5 1
            20    5   6 1
            21   20  24 1
            22    6   7 1
            23   24  25 1
            24   13  10 2
            25   14  26 1
            26   10  11 1
            27   13  27 1
            28   11   9 2
            29   10  28 1
            30    9  12 1
            31   26  29 1
            32   12  14 2
            33   28  30 1


entry: C10890
name: --- - (+)-Syringaresinol O-beta-D-glucoside - Acanthoside B
formula: C28H36O13
kcf:
ATOM        41
            1   C1y C     6.1681  -11.4711
            2   C1y C     6.9922  -11.4401
            3   C1y C     5.9440  -12.2539
            4   C1x C     5.8853  -10.6953
            5   C1y C     7.2198  -10.6539
            6   C1x C     7.2647  -12.2091
            7   C8y C     5.2302  -12.6677
            8   O2x O     6.6233  -12.7125
            9   O2x O     6.5371  -10.1918
            10  C8y C     7.8750  -10.1849
            11  C8x C     5.2336  -13.4815
            12  C8x C     4.5302  -12.2539
            13  C8x C     8.5819  -10.5953
            14  C8x C     7.8750   -9.3677
            15  C8y C     4.5302  -13.8918
            16  C8y C     3.8198  -12.6642
            17  C8y C     9.2888  -10.1849
            18  C8y C     8.5819   -8.9573
            19  C8y C     3.8198  -13.4815
            20  O2a O     4.5336  -14.7091
            21  O2a O     3.1095  -12.2539
            22  C8y C     9.2888   -9.3677
            23  O2a O     9.9957  -10.5953
            24  O2a O     3.0888  -13.9022
            25  C1a C     5.2371  -15.1125
            26  C1a C     2.4026  -12.6642
            27  O1a O    10.1026   -8.8125
            28  C1a C    10.7060  -10.1849
            29  C1y C     2.2578  -14.3987
            30  O2x O     1.5543  -13.9918
            31  C1y C     2.2578  -15.2194
            32  C1y C     0.8440  -14.3987
            33  C1y C     1.5543  -15.6263
            34  O1a O     2.9715  -15.6263
            35  C1y C     0.8440  -15.2194
            36  C1b C     0.1405  -13.9884
            37  O1a O     1.5543  -16.4401
            38  O1a O     0.1405  -15.6263
            39  O1a O    -0.5595  -14.3987
            40  O2a O     8.5819   -8.1323
            41  C1a C     9.2963   -7.7198
BOND        45
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1 #Down
            6     3   8 1
            7     4   9 1
            8     5  10 1 #Down
            9     7  11 2
            10    7  12 1
            11   10  13 1
            12   10  14 2
            13   11  15 1
            14   12  16 2
            15   13  17 2
            16   14  18 1
            17   15  19 2
            18   15  20 1
            19   16  21 1
            20   17  22 1
            21   17  23 1
            22   19  24 1
            23   20  25 1
            24   21  26 1
            25   22  27 1
            26   23  28 1
            27   29  24 1 #Up
            28   29  30 1
            29   29  31 1
            30   30  32 1
            31   31  33 1
            32   31  34 1 #Down
            33   32  35 1
            34   32  36 1 #Up
            35   33  37 1 #Up
            36   35  38 1 #Down
            37   36  39 1
            38    5   9 1
            39    6   8 1
            40   16  19 1
            41   18  22 2
            42   33  35 1
            43   18  40 1
            44    1   2 1
            45   40  41 1


entry: C10891
name: --- - Trachelogenin
formula: C21H24O7
kcf:
ATOM        28
            1   C1z C     9.9629   -8.1764
            2   C1y C     9.1312   -8.1764
            3   C1b C    10.6809   -8.5944
            4   C7x C    10.2181   -7.3936
            5   C1x C     8.8719   -7.3936
            6   C8y C    11.3947   -8.1764
            7   O7x O     9.5450   -6.9033
            8   O7x O    10.9189   -6.9758
            9   C8x C    12.1093   -8.5944
            10  C8x C    11.3913   -7.3482
            11  C8x C    12.8272   -8.1764
            12  C8y C    12.1093   -6.9344
            13  C8y C    12.8272   -7.3482
            14  O1a O    13.5451   -6.9344
            15  C1b C     8.4128   -8.5955
            16  C8y C     7.6953   -8.1764
            17  C8x C     6.9774   -8.5944
            18  C8x C     7.6953   -7.3482
            19  C8x C     6.2594   -8.1764
            20  C8y C     6.9774   -6.9378
            21  C8y C     6.2594   -7.3482
            22  O2a O     5.5414   -6.9344
            23  O1a O    10.6761   -7.7717
            24  C1a C     5.5407   -6.1094
            25  O2a O     6.9774   -6.1128
            26  C1a C     6.2629   -5.7003
            27  O2a O    12.1093   -6.1094
            28  C1a C    12.8238   -5.6970
BOND        30
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8    15  16 1
            9    16  17 2
            10   16  18 1
            11   17  19 1
            12   18  20 2
            13   19  21 2
            14   21  22 1
            15   20  21 1
            16    6   9 2
            17    6  10 1
            18    9  11 1
            19    1  23 1 #Up
            20   10  12 2
            21   11  13 2
            22   22  24 1
            23   13  14 1
            24   20  25 1
            25    5   7 1
            26   25  26 1
            27   12  13 1
            28   12  27 1
            29    2  15 1 #Down
            30   27  28 1


entry: C10892
name: --- - (+)-Veraguensin
formula: C22H28O5
kcf:
ATOM        27
            1   C8x C     6.9376  -11.3809
            2   C8y C     6.5251  -12.0954
            3   C8x C     6.9390  -12.8066
            4   C8x C     7.7619  -12.8054
            5   C8y C     8.1744  -12.0951
            6   C8y C     7.7641  -11.3818
            7   C1y C     5.4458  -12.8834
            8   C1y C     5.7026  -12.0992
            9   O2x O     5.0333  -11.6125
            10  C1y C     4.3600  -12.0992
            11  C1y C     4.6208  -12.8834
            12  O2a O     8.1775  -10.6680
            13  O2a O     8.9995  -12.0957
            14  C1a C     4.1199  -13.5513
            15  C1a C     5.9992  -13.6362
            16  C1a C     9.0025  -10.6690
            17  C1a C     9.4125  -11.3816
            18  C8y C     3.6104  -12.0925
            19  C8y C     2.3598  -11.3957
            20  C8y C     1.9601  -12.1151
            21  C8x C     2.3786  -12.8212
            22  C8x C     3.2013  -12.8100
            23  C8x C     3.1862  -11.3866
            24  O2a O     1.9432  -10.6819
            25  O2a O     1.1351  -12.1255
            26  C1a C     1.1182  -10.6956
            27  C1a C     0.7095  -11.4163
BOND        29
            1    11  14 1 #Down
            2     6   1 1
            3     7  15 1 #Up
            4     1   2 2
            5     2   3 1
            6     3   4 2
            7    12  16 1
            8     7   8 1
            9    13  17 1
            10    8   9 1
            11   10  18 1 #Up
            12    9  10 1
            13   10  11 1
            14   11   7 1
            15    8   2 1 #Up
            16    4   5 1
            17    5   6 2
            18    6  12 1
            19    5  13 1
            20   19  24 1
            21   20  25 1
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  18 2
            26   18  23 1
            27   23  19 2
            28   24  26 1
            29   25  27 1


entry: C10893
name: --- - Wuweizisu C - Schizandrin C
formula: C22H24O6
kcf:
ATOM        28
            1   C8y C     4.9216  -12.4810
            2   C8y C     4.8905  -11.6678
            3   C8y C     4.1753  -12.6734
            4   C8y C     5.4679  -11.1216
            5   O2a O     3.3759  -12.2941
            6   C1x C     6.3149  -13.0962
            7   C8x C     5.3085  -10.3022
            8   C1x C     6.2700  -11.0871
            9   C1a C     2.5738  -12.7190
            10  C8y C     4.4264  -10.0717
            11  O2x O     3.9787   -9.3659
            12  C1x C     3.1699   -9.5777
            13  O2x O     3.1211  -10.4159
            14  C1y C     6.7707  -11.6265
            15  C1y C     6.7679  -12.5477
            16  C8y C     3.9282  -10.7511
            17  C8y C     4.1100  -11.3478
            18  O2a O     3.3795  -11.7162
            19  C1a C     2.6738  -11.2541
            20  C8y C     5.4678  -13.0721
            21  C8x C     5.3326  -13.8793
            22  C8y C     4.5167  -14.0881
            23  C8y C     3.9204  -13.5118
            24  O2x O     3.1873  -13.8957
            25  C1x C     3.3301  -14.7150
            26  O2x O     4.1528  -14.8354
            27  C1a C     7.5230  -11.1391
            28  C1a C     7.5243  -12.8910
BOND        32
            1     8  14 1
            2    10  11 1
            3    11  12 1
            4    14  15 1
            5    12  13 1
            6    13  16 1
            7    10  16 1
            8     1   2 1
            9     2  17 1
            10    1   3 2
            11   17  18 1
            12    2   4 2
            13   18  19 1
            14    3  23 1
            15    1  20 1
            16    3   5 1
            17   22  21 1
            18   20  21 2
            19   20   6 1
            20    4   7 1
            21    4   8 1
            22   17  16 2
            23   22  23 2
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  22 1
            28    5   9 1
            29    6  15 1
            30   14  27 1 #Down
            31    7  10 2
            32   15  28 1 #Down


entry: C10894
name: --- - Yangambin
formula: C24H30O8
kcf:
ATOM        32
            1   C1y C     5.7842  -11.3542
            2   O2x O     5.1149  -10.8674
            3   C1x C     4.4457  -11.3542
            4   C1y C     5.5274  -12.1383
            5   C1y C     4.7051  -12.1344
            6   C1y C     4.4472  -12.9154
            7   O2x O     5.1103  -13.4018
            8   C1x C     5.7779  -12.9216
            9   C8y C     3.6483  -13.3949
            10  C8y C     2.9369  -14.6292
            11  C8x C     3.6489  -14.2167
            12  C8x C     2.9369  -12.9792
            13  C8y C     2.2207  -14.2167
            14  C8y C     2.2246  -13.3944
            15  C8y C     6.4817  -10.9337
            16  C8x C     6.4791  -10.1084
            17  C8x C     7.1953  -11.3459
            18  C8y C     7.9073  -10.9334
            19  C8y C     7.9073  -10.1084
            20  C8y C     7.1953   -9.6959
            21  O2a O     8.6220  -11.3453
            22  O2a O     8.6220   -9.6964
            23  C1a C     9.3362  -10.9323
            24  O2a O     7.1964   -8.8709
            25  C1a C     7.9114   -8.4593
            26  O2a O     1.5103  -12.9817
            27  O2a O     1.5055  -14.6279
            28  O2a O     2.9380  -15.4542
            29  C1a C     0.7957  -13.3940
            30  C1a C     2.2240  -15.8676
            31  C1a C     9.3362  -10.1093
            32  C1a C     0.7918  -14.2141
BOND        35
            1     7   8 1
            2     8   4 1
            3     1  15 1 #Down
            4     4   1 1
            5     1   2 1
            6     6   9 1 #Down
            7     2   3 1
            8     3   5 1
            9    15  17 1
            10   17  18 2
            11   18  19 1
            12   19  20 2
            13   20  16 1
            14   18  21 1
            15   19  22 1
            16   21  23 1
            17   16  15 2
            18    4   5 1
            19    5   6 1
            20   20  24 1
            21    6   7 1
            22   24  25 1
            23   13  10 2
            24   14  26 1
            25   10  11 1
            26   13  27 1
            27   11   9 2
            28   10  28 1
            29    9  12 1
            30   26  29 1
            31   12  14 2
            32   28  30 1
            33   22  31 1
            34   13  14 1
            35   27  32 1


entry: C10895
name: --- - Azafenidin
formula: C15H13Cl2N3O2
kcf:
ATOM        22
            1   C1x C     1.6583  -11.0542
            2   C1x C     1.6583  -11.8792
            3   C1x C     2.3745  -12.2917
            4   C1x C     2.3745  -10.6417
            5   N4y N     3.0865  -11.0542
            6   C8y C     3.0831  -11.8812
            7   N5x N     3.8686  -12.1401
            8   N4y N     4.3573  -11.4730
            9   C8y C     3.8741  -10.8019
            10  C8y C     5.1823  -11.4764
            11  C8x C     5.5881  -12.1930
            12  C8y C     6.4131  -12.1964
            13  C8y C     6.8285  -11.4836
            14  C8x C     6.4190  -10.7675
            15  C8y C     5.5940  -10.7640
            16  O5x O     4.1323  -10.0184
            17  X   Cl    5.1831  -10.0486
            18  X   Cl    7.6535  -11.4871
            19  O2a O     6.8226  -12.9126
            20  C1b C     7.6476  -12.9160
            21  C3b C     8.0630  -12.2032
            22  C3a C     8.4785  -11.4905
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   6 1
            4     5   4 1
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  10 1
            11    5   6 1
            12    9  16 2
            13    6   7 2
            14   15  17 1
            15    7   8 1
            16   13  18 1
            17    8   9 1
            18   12  19 1
            19    9   5 1
            20   19  20 1
            21    4   1 1
            22   20  21 1
            23    8  10 1
            24   21  22 3


entry: C10896
name: --- - Benlate - Benomyl
formula: C14H18N4O3
kcf:
ATOM        21
            1   C8x C    -2.2167   -1.1333
            2   C8x C    -2.2167   -1.9625
            3   C8x C    -1.4963   -2.3750
            4   C8x C    -1.4963   -0.7167
            5   C8y C    -0.7843   -1.1333
            6   C8y C    -0.7892   -1.9601
            7   N5x N    -0.0041   -2.2190
            8   C8y C     0.4874   -1.5521
            9   N4y N     0.0037   -0.8795
            10  N1b N     1.3166   -1.5569
            11  C5a C     0.2674   -0.0923
            12  C7a C     1.7249   -2.2779
            13  O7a O     2.5541   -2.2828
            14  O7a O     1.3082   -2.9942
            15  C1a C     2.9749   -1.5665
            16  N1b N     1.0796    0.0745
            17  C1b C     1.3391    0.8618
            18  C1b C     2.1513    1.0285
            19  C1b C     2.4108    1.8158
            20  O5a O    -0.2851    0.5241
            21  C1a C     3.2230    1.9826
BOND        22
            1     8  10 1
            2     9  11 1
            3     1   2 1
            4    10  12 1
            5     2   3 2
            6    12  13 1
            7     3   6 1
            8    12  14 2
            9     5   4 1
            10   13  15 1
            11    5   6 2
            12   11  16 1
            13    6   7 1
            14   16  17 1
            15    7   8 2
            16   17  18 1
            17    8   9 1
            18   18  19 1
            19    9   5 1
            20   11  20 2
            21    4   1 2
            22   19  21 1


entry: C10897
name: --- - Carbendazim - Mecarzole
formula: C9H9N3O2
kcf:
ATOM        14
            1   C8x C    -1.7500   -1.6250
            2   C8x C    -1.7500   -2.4583
            3   C8x C    -1.0338   -2.8708
            4   C8x C    -1.0338   -1.2125
            5   C8y C    -0.3176   -1.6250
            6   C8y C    -0.3225   -2.4518
            7   N5x N     0.4626   -2.7148
            8   C8y C     0.9541   -2.0479
            9   N4x N     0.4704   -1.3754
            10  N1b N     1.7833   -2.0527
            11  C7a C     2.1916   -2.7696
            12  O7a O     3.0166   -2.7744
            13  O7a O     1.7749   -3.4817
            14  C1a C     3.4332   -2.0623
BOND        15
            1     5   4 1
            2     5   6 2
            3     6   7 1
            4     7   8 2
            5     8   9 1
            6     9   5 1
            7     4   1 2
            8     8  10 1
            9    10  11 1
            10    1   2 1
            11   11  12 1
            12    2   3 2
            13   11  13 2
            14    3   6 1
            15   12  14 1


entry: C10898
name: --- - 2-Benzimidazolylguanidine
formula: C8H9N5
kcf:
ATOM        13
            1   C8x C    -1.7000   -2.2125
            2   C8x C    -1.7000   -3.0375
            3   C8x C    -0.9838   -3.4500
            4   C8x C    -0.9838   -1.8000
            5   C8y C    -0.2718   -2.2125
            6   C8y C    -0.2753   -3.0395
            7   N5x N     0.5102   -3.2984
            8   C8y C     0.9990   -2.6313
            9   N4x N     0.5158   -1.9602
            10  N1b N     1.8240   -2.6347
            11  C2c C     2.2335   -3.3509
            12  N1a N     3.0585   -3.3543
            13  N2a N     1.8181   -4.0637
BOND        14
            1     3   6 1
            2     5   4 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9   5 1
            8     4   1 2
            9     8  10 1
            10   10  11 1
            11    1   2 1
            12   11  12 1
            13    2   3 2
            14   11  13 2


entry: C10899
name: --- - Allophanic acid, methyl ester
formula: C3H6N2O3
kcf:
ATOM        8
            1   N1a N     0.3792   -4.7167
            2   C5a C     1.0978   -4.3000
            3   N1b N     1.8123   -4.7167
            4   O5a O     1.0978   -3.4708
            5   C7a C     1.8123   -5.5458
            6   O7a O     1.0978   -5.9583
            7   O7a O     2.5309   -5.9583
            8   C1a C     0.3792   -5.5458
BOND        7
            1     3   5 1
            2     2   3 1
            3     5   6 1
            4     1   2 1
            5     5   7 2
            6     2   4 2
            7     6   8 1


entry: C10900
name: --- - Methyl oxalate
formula: C4H6O4
kcf:
ATOM        8
            1   C1a C    -3.0042   -5.3417
            2   O7a O    -2.2855   -4.9292
            3   C7a C    -1.5669   -5.3417
            4   C7a C    -0.8524   -4.9292
            5   O7a O    -0.1338   -5.3417
            6   C1a C     0.5849   -4.9292
            7   O7a O    -0.8524   -4.1000
            8   O7a O    -1.5669   -6.1708
BOND        7
            1     4   5 1
            2     2   3 1
            3     5   6 1
            4     1   2 1
            5     4   7 2
            6     3   4 1
            7     3   8 2


entry: C10901
name: --- - 2-Aminobenzimidazole
formula: C7H7N3
kcf:
ATOM        10
            1   C8x C    -0.8667   -3.2125
            2   C8x C    -0.8667   -4.0375
            3   C8x C    -0.1505   -4.4500
            4   C8x C    -0.1505   -2.8000
            5   C8y C     0.5615   -3.2125
            6   C8y C     0.5581   -4.0395
            7   N5x N     1.3436   -4.2984
            8   C8y C     1.8323   -3.6313
            9   N4x N     1.3491   -2.9602
            10  N1a N     2.6573   -3.6347
BOND        11
            1     1   2 1
            2     2   3 2
            3     3   6 1
            4     5   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9   5 1
            10    4   1 2
            11    8  10 1


entry: C10902
name: --- - Methyl 5-hydroxy-2-benzimidazole carbamate
formula: C9H9N3O3
kcf:
ATOM        15
            1   C8x C    14.1000  -14.2041
            2   C8y C    14.1000  -15.0291
            3   C8x C    14.8162  -15.4416
            4   C8x C    14.8162  -13.7916
            5   C8y C    15.5282  -14.2041
            6   C8y C    15.5248  -15.0311
            7   N5x N    16.3103  -15.2900
            8   C8y C    16.7990  -14.6229
            9   N4x N    16.3158  -13.9518
            10  N1b N    17.6240  -14.6263
            11  C7a C    18.0336  -15.3425
            12  O7a O    18.8586  -15.3459
            13  O7a O    17.6181  -16.0553
            14  O1a O    13.3857  -15.4420
            15  C1a C    19.2740  -14.6332
BOND        16
            1     5   6 2
            2     6   7 1
            3     7   8 2
            4     8   9 1
            5     9   5 1
            6     4   1 2
            7     8  10 1
            8    10  11 1
            9     1   2 1
            10   11  12 1
            11    2   3 2
            12   11  13 2
            13    3   6 1
            14    5   4 1
            15    2  14 1
            16   12  15 1


entry: C10903
name: --- - Cinmethylin
formula: C18H26O2
kcf:
ATOM        20
            1   C1x C     0.2583   -4.3417
            2   C1x C     0.2583   -5.1667
            3   C1z C     0.9745   -5.5792
            4   C1x C     1.6865   -5.1667
            5   C1y C     1.6865   -4.3417
            6   C1z C     0.9745   -3.9292
            7   O2a O     2.4013   -3.9297
            8   C1b C     3.1155   -4.3427
            9   C8y C     3.8303   -3.9308
            10  C8y C     4.5423   -4.3440
            11  C8x C     5.2571   -3.9320
            12  C8x C     5.2577   -3.1070
            13  C8x C     4.5435   -2.6940
            14  C8x C     3.8288   -3.1059
            15  C1a C     4.5411   -5.1690
            16  C1a C     0.9756   -3.1042
            17  C1c C     0.9756   -6.4042
            18  C1a C     0.2616   -6.8176
            19  C1a C     1.6906   -6.8158
            20  O2x O     0.7620   -4.7805
BOND        22
            1     4   5 1
            2     5   6 1
            3     6   1 1
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14   9 1
            10    5   7 1
            11   10  15 1
            12    1   2 1
            13    6  16 1
            14    7   8 1
            15    3  17 1
            16    2   3 1
            17   17  18 1
            18    8   9 1
            19   17  19 1
            20    3   4 1
            21    6  20 1
            22    3  20 1


entry: C10904
name: --- - Cabucine
formula: C22H26N2O4
kcf:
ATOM        28
            1   C8y C    13.8329  -12.8688
            2   C8x C    13.8050  -13.6849
            3   C8x C    14.4985  -14.1172
            4   C8x C    14.5544  -12.4807
            5   C8y C    15.2519  -12.9172
            6   C8y C    15.2240  -13.7334
            7   O2a O    13.1513  -12.4368
            8   C1a C    12.4379  -12.8169
            9   C1x C    17.2436  -11.9446
            10  C1x C    16.4216  -11.9772
            11  N1y N    17.6807  -12.6305
            12  C1y C    17.3007  -13.3558
            13  C1x C    17.7365  -14.0513
            14  C1x C    18.5007  -12.6007
            15  C1y C    18.9406  -13.2962
            16  C1y C    18.5568  -14.0176
            17  C2y C    18.9893  -14.7066
            18  C2x C    19.8056  -14.6785
            19  O2x O    20.1895  -13.9572
            20  C1y C    19.7569  -13.2640
            21  C1a C    20.1438  -12.5007
            22  C7a C    18.5803  -15.4630
            23  O7a O    17.7235  -15.4882
            24  O7a O    19.0405  -16.1905
            25  C8y C    16.4826  -13.3970
            26  C8y C    16.0423  -12.7095
            27  N4x N    15.9665  -14.0283
            28  C1a C    18.6572  -16.9210
BOND        32
            1    14  11 1
            2     1   7 1
            3     1   2 1
            4     7   8 1
            5     2   3 2
            6     3   6 1
            7    25  12 1
            8    15  16 1
            9    16  17 1
            10   17  18 2
            11   18  19 1
            12   19  20 1
            13   20  15 1
            14   11   9 1
            15   20  21 1 #Down
            16    9  10 1
            17   17  22 1
            18   10  26 1
            19   22  23 2
            20    5   4 1
            21    4   1 2
            22   22  24 1
            23    5   6 2
            24   11  12 1
            25   25  26 2
            26   26   5 1
            27    6  27 1
            28   27  25 1
            29   12  13 1
            30   13  16 1
            31   15  14 1
            32   24  28 1


entry: C10906
name: --- - D-Fructose
formula: C6H12O6
kcf:
ATOM        12
            1   C1b C    25.2700  -15.9600
            2   C1c C    24.0800  -15.2600
            3   C1c C    22.8900  -15.9600
            4   C1c C    21.7000  -15.2600
            5   C5a C    20.4400  -15.9600
            6   C1b C    19.2500  -15.2600
            7   O1a O    18.0600  -15.9600
            8   O5a O    20.4400  -17.3600
            9   O1a O    21.6300  -13.8600
            10  O1a O    22.8900  -17.3600
            11  O1a O    24.0800  -13.8600
            12  O1a O    26.5300  -15.2600
BOND        11
            1     1   2 1
            2     6   7 1
            3     3   4 1
            4     5   8 2
            5     4   9 1 #Up
            6     4   5 1
            7     3  10 1 #Up
            8     2   3 1
            9     2  11 1 #Down
            10    5   6 1
            11    1  12 1


entry: C10907
name: --- - Cloransulam-methyl
formula: C15H13ClFN5O5S
kcf:
ATOM        28
            1   C8y C     1.9833   -0.1333
            2   C8y C     1.9833   -0.9625
            3   C8y C     2.7037   -1.3750
            4   C8x C     3.4199   -0.9625
            5   C8x C     3.4199   -0.1333
            6   C8x C     2.7037    0.2833
            7   N5x N    -2.2583   -1.8833
            8   C8y C    -2.2583   -2.7125
            9   C8x C    -1.5380   -3.1250
            10  C8y C    -1.5380   -1.4667
            11  N4y N    -0.8218   -1.8833
            12  C8y C    -0.8267   -2.7101
            13  N5x N    -0.0416   -2.9690
            14  C8y C     0.4458   -2.3021
            15  N5x N    -0.0338   -1.6337
            16  X   F    -2.9768   -3.1254
            17  O2a O    -1.5369   -0.6375
            18  C1b C    -2.2551   -0.2241
            19  S4a S     1.2749   -2.3069
            20  N1b N     1.2708   -1.4240
            21  O3c O     2.0249   -2.3029
            22  O3c O     1.2700   -3.1451
            23  X   Cl    2.7047   -2.2042
            24  C7a C     1.2649    0.2837
            25  O7a O     0.5461   -0.1326
            26  O7a O     1.2653    1.1129
            27  C1a C    -0.1682    0.2844
            28  C1a C    -2.9742   -0.6357
BOND        30
            1    12  13 2
            2    13  14 1
            3    14  15 2
            4    15  11 1
            5     2   3 2
            6     8  16 1
            7     3   4 1
            8    10  17 1
            9     7   8 1
            10   17  18 1
            11    8   9 2
            12   14  19 1
            13    9  12 1
            14   19  20 1
            15   11  10 1
            16   19  21 2
            17   10   7 2
            18   19  22 2
            19   20   2 1
            20    4   5 2
            21    3  23 1
            22    5   6 1
            23    1  24 1
            24    6   1 2
            25   24  25 1
            26   24  26 2
            27    1   2 1
            28   25  27 1
            29   11  12 1
            30   18  28 1


entry: C10908
name: --- - Fluthiacet methyl
formula: C15H15ClFN3O3S2
kcf:
ATOM        25
            1   C1x C    -2.1208   -5.4667
            2   C1x C    -2.1208   -6.2917
            3   C1x C    -1.4046   -6.7042
            4   C1x C    -1.4046   -5.0542
            5   N4y N    -0.6926   -5.4667
            6   N4y N    -0.6961   -6.2937
            7   C8y C     0.0894   -6.5526
            8   S2x S     0.5782   -5.8855
            9   C8y C     0.0949   -5.2144
            10  O5x O     0.3411   -7.3382
            11  N2b N     0.3823   -4.3267
            12  C8y C     1.0958   -3.0875
            13  C8y C     1.0958   -3.9125
            14  C8x C     1.8120   -4.3250
            15  C8y C     2.5240   -3.9125
            16  C8y C     2.5240   -3.0875
            17  C8x C     1.8120   -2.6750
            18  X   F     0.3816   -2.6746
            19  X   Cl    3.2388   -2.6755
            20  S2a S     3.2388   -4.3245
            21  C1b C     3.9530   -3.9114
            22  C7a C     4.6678   -4.3234
            23  O7a O     5.3819   -3.9104
            24  C1a C     6.0967   -4.3223
            25  O7a O     4.6684   -5.1484
BOND        27
            1     2   3 1
            2     3   6 1
            3     5   4 1
            4     5   6 1
            5     6   7 1
            6    12  13 1
            7    13  14 2
            8    14  15 1
            9    15  16 2
            10   16  17 1
            11   17  12 2
            12   13  11 1
            13    7   8 1
            14   12  18 1
            15    8   9 1
            16   16  19 1
            17    9   5 1
            18   15  20 1
            19    4   1 1
            20   20  21 1
            21    7  10 2
            22   21  22 1
            23   22  23 1
            24    9  11 2
            25   23  24 1
            26    1   2 1
            27   22  25 2


entry: C10909
name: --- - Methabenzthiazuron
formula: C10H11N3OS
kcf:
ATOM        15
            1   C8x C    13.7208  -16.1458
            2   C8x C    13.7208  -15.3166
            3   C8x C    14.4412  -14.9000
            4   C8x C    14.4412  -16.5583
            5   C8y C    15.1573  -16.1458
            6   C8y C    15.1525  -15.3190
            7   S2x S    15.9376  -15.0602
            8   C8y C    16.4249  -15.7229
            9   N5x N    15.9453  -16.3954
            10  N1c N    17.2541  -15.7181
            11  C5a C    17.6665  -15.0012
            12  C1a C    17.6749  -16.4343
            13  N1b N    18.4957  -14.9964
            14  O5a O    17.2457  -14.2850
            15  C1a C    18.9040  -14.2753
BOND        16
            1     5   6 2
            2     6   7 1
            3     7   8 1
            4     8   9 2
            5     9   5 1
            6     4   1 2
            7     8  10 1
            8    10  11 1
            9     1   2 1
            10   10  12 1
            11    2   3 2
            12   11  13 1
            13    3   6 1
            14   11  14 2
            15    5   4 1
            16   13  15 1


entry: C10910
name: --- - 2-Methylthiobenzothiazole
formula: C8H7NS2
kcf:
ATOM        11
            1   C8x C    14.3458  -15.4666
            2   C8x C    14.3458  -14.6416
            3   C8x C    15.0620  -14.2291
            4   C8x C    15.0620  -15.8791
            5   C8y C    15.7740  -15.4666
            6   C8y C    15.7706  -14.6396
            7   S2x S    16.5561  -14.3807
            8   C8y C    17.0448  -15.0478
            9   N5x N    16.5616  -15.7189
            10  S2a S    17.8698  -15.0444
            11  C1a C    18.2794  -14.3282
BOND        12
            1     1   2 1
            2     2   3 2
            3     3   6 1
            4     5   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9   5 1
            10    4   1 2
            11    8  10 1
            12   10  11 1


entry: C10911
name: --- - Bromacil
formula: C9H13BrN2O2
kcf:
ATOM        14
            1   N4y N     2.8875   -2.8792
            2   C8y C     2.8875   -3.7083
            3   N4x N     3.6079   -4.1208
            4   C8y C     4.3240   -3.7083
            5   C8y C     4.3240   -2.8792
            6   C8y C     3.6079   -2.4625
            7   O5x O     3.6089   -1.6333
            8   O5x O     2.1691   -4.1212
            9   X   Br    5.0430   -2.4630
            10  C1a C     5.0430   -4.1203
            11  C1c C     2.1691   -2.4621
            12  C1a C     2.1695   -1.6330
            13  C1b C     1.4502   -2.8784
            14  C1a C     0.7318   -2.4614
BOND        14
            1     6   7 2
            2     1   2 1
            3     2   8 2
            4     2   3 1
            5     5   9 1
            6     3   4 1
            7     4  10 1
            8     4   5 2
            9     1  11 1
            10    5   6 1
            11   11  12 1
            12    6   1 1
            13   11  13 1
            14   13  14 1


entry: C10912
name: --- - Buprofezin
formula: C16H23N3OS
kcf:
ATOM        21
            1   N1y N     4.2459  -11.8125
            2   C2y C     4.2459  -12.6333
            3   S2x S     4.9579  -13.0417
            4   C1x C     5.6699  -12.6333
            5   N1y N     5.6699  -11.8125
            6   C5x C     4.9579  -11.4000
            7   O5x O     4.9589  -10.5792
            8   C8y C     6.3804  -11.4005
            9   C8x C     7.0893  -11.8145
            10  C8x C     7.7999  -11.4026
            11  C8x C     7.8005  -10.5818
            12  C8x C     7.0905  -10.1728
            13  C8x C     6.3798  -10.5807
            14  C1c C     3.5357  -11.3996
            15  C1a C     3.5361  -10.5788
            16  C1a C     2.8252  -11.8118
            17  N2b N     3.5357  -13.0421
            18  C1d C     3.5362  -13.8629
            19  C1a C     2.8261  -14.2758
            20  C1a C     4.2467  -14.2750
            21  C1a C     3.5225  -14.7956
BOND        22
            1     9  10 1
            2    10  11 2
            3    11  12 1
            4    12  13 2
            5    13   8 1
            6     1  14 1
            7     6   7 2
            8    14  15 1
            9     1   2 1
            10   14  16 1
            11    5   8 1
            12    2  17 2
            13    2   3 1
            14    3   4 1
            15    4   5 1
            16   17  18 1
            17    5   6 1
            18   18  19 1
            19    6   1 1
            20   18  20 1
            21    8   9 2
            22   18  21 1


entry: C10913
name: --- - Cycloxydim
formula: C17H27NO3S
kcf:
ATOM        22
            1   C1x C     4.3458   -4.0042
            2   C1y C     4.3458   -4.8333
            3   C1x C     5.0662   -5.2500
            4   C5x C     5.7782   -4.8333
            5   C2y C     5.7782   -4.0042
            6   C2y C     5.0662   -3.5917
            7   C1y C     3.6274   -5.2504
            8   C1x C     2.9102   -4.8320
            9   C1x C     2.1918   -5.2490
            10  C1x C     2.1922   -6.0782
            11  S2x S     2.9111   -6.4903
            12  C1x C     3.6295   -6.0774
            13  O1a O     5.0672   -2.7625
            14  C2c C     6.4971   -3.5922
            15  C1b C     7.2155   -4.0052
            16  C1b C     7.9344   -3.5933
            17  C1a C     8.6528   -4.0063
            18  N2b N     6.4978   -2.7630
            19  O5x O     6.4971   -5.2495
            20  O2a O     7.2167   -2.3469
            21  C1b C     7.9350   -2.7641
            22  C1a C     8.6540   -2.3480
BOND        23
            1     9  10 1
            2    10  11 1
            3    11  12 1
            4    12   7 1
            5     6   1 1
            6     6  13 1
            7     5  14 1
            8     2   7 1
            9    14  15 1
            10    1   2 1
            11   15  16 1
            12    2   3 1
            13   16  17 1
            14    3   4 1
            15   14  18 2
            16    4   5 1
            17    4  19 2
            18    5   6 2
            19   18  20 1
            20    7   8 1
            21   20  21 1
            22    8   9 1
            23   21  22 1


entry: C10914
name: --- - Cyprodinil
formula: C14H15N3
kcf:
ATOM        17
            1   C8y C    16.4292   -3.5333
            2   C8x C    16.4292   -4.3583
            3   C8y C    15.7130   -4.7708
            4   N5x N    15.0010   -4.3583
            5   C8y C    15.0010   -3.5333
            6   N5x N    15.7130   -3.1208
            7   N1b N    14.2862   -3.1214
            8   C8y C    13.5720   -3.5344
            9   C8x C    13.5759   -4.3582
            10  C8x C    12.8617   -4.7713
            11  C8x C    12.1470   -4.3593
            12  C8x C    12.1464   -3.5343
            13  C8x C    12.8605   -3.1213
            14  C1a C    15.7119   -5.5958
            15  C1y C    17.1434   -3.1205
            16  C1x C    17.5581   -2.4054
            17  C1x C    17.9709   -3.1226
BOND        19
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   1 2
            6     8   9 1
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10   12  13 1
            11   13   8 2
            12    3  14 1
            13    5   7 1
            14    1  15 1
            15    1   2 1
            16    7   8 1
            17   15  16 1
            18   15  17 1
            19   17  16 1


entry: C10915
name: --- - Bispyribac acid
formula: C19H18N4O8
kcf:
ATOM        31
            1   C8y C    -2.4292   -1.4208
            2   C8x C    -2.4292   -2.2500
            3   C8y C    -1.7088   -2.6625
            4   N5x N    -0.9968   -2.2500
            5   C8y C    -0.9968   -1.4208
            6   N5x N    -1.7088   -1.0042
            7   O2a O    -3.1476   -1.0038
            8   C1a C    -3.8664   -1.4201
            9   O2a O    -0.2779   -1.0047
            10  C8y C     0.4405   -1.4219
            11  C8x C     0.4366   -2.2499
            12  C8x C     1.1549   -2.6629
            13  C8x C     1.8739   -2.2510
            14  C8y C     1.8745   -1.4218
            15  C8y C     1.1561   -1.0046
            16  O2a O     2.5934   -1.0057
            17  C8y C     3.3118   -1.4229
            18  N5x N     3.3074   -2.2498
            19  C8y C     4.0215   -2.6628
            20  C8x C     4.7405   -2.2509
            21  C8y C     4.7411   -1.4217
            22  N5x N     4.0228   -1.0045
            23  O2a O     5.4600   -1.0056
            24  C1a C     6.1784   -1.4228
            25  O2a O     4.0209   -3.4920
            26  C1a C     4.7393   -3.9092
            27  O2a O    -1.7078   -3.4917
            28  C1a C    -2.4259   -3.9092
            29  C6a C     1.1554   -0.1754
            30  O6a O     1.8737    0.2377
            31  O6a O     0.4364    0.2365
BOND        33
            1    15  10 1
            2     1   2 2
            3    14  16 1
            4     7   8 1
            5    16  17 1
            6     2   3 1
            7     5   9 1
            8     3   4 2
            9     9  10 1
            10    4   5 1
            11   17  18 2
            12   18  19 1
            13   19  20 2
            14   20  21 1
            15   21  22 2
            16   22  17 1
            17    5   6 2
            18   21  23 1
            19    6   1 1
            20   23  24 1
            21   19  25 1
            22    1   7 1
            23   25  26 1
            24   10  11 2
            25    3  27 1
            26   11  12 1
            27   27  28 1
            28   12  13 2
            29   15  29 1
            30   13  14 1
            31   29  30 1
            32   14  15 2
            33   29  31 2


