# compounds

entry: C09077
name: --- - Columbin
formula: C20H22O6
kcf:
ATOM        26
            1   C8y C    16.4992  -13.1947
            2   C8x C    17.2080  -12.7796
            3   O2x O    17.0323  -11.9773
            4   C8x C    16.2150  -11.8966
            5   C8x C    15.8854  -12.6489
            6   C1y C    15.0991  -15.5816
            7   C1z C    15.0957  -16.3817
            8   C1z C    15.7915  -15.1850
            9   C1y C    14.4053  -15.1816
            10  C1z C    14.4053  -16.7817
            11  C1x C    15.7846  -16.7851
            12  C1a C    15.0846  -17.1781
            13  C1y C    16.4778  -15.5919
            14  C1x C    15.7984  -14.3886
            15  C1a C    15.7846  -15.9816
            16  C2x C    13.7088  -15.5816
            17  C7x C    14.1499  -17.5158
            18  C2x C    13.7088  -16.3817
            19  O1a O    14.6087  -17.5574
            20  C1x C    16.4778  -16.3886
            21  C7x C    17.1743  -15.1988
            22  C1y C    16.4916  -13.9920
            23  O7x O    13.4950  -17.9540
            24  O7x O    17.1811  -14.3989
            25  O7x O    17.8639  -15.6023
            26  O7x O    14.1291  -15.8709
BOND        30
            1     5   1 1
            2     1   2 2
            3     2   3 1
            4     3   4 1
            5     6   7 1
            6     6   8 1
            7     6   9 1
            8     7  10 1
            9     7  11 1
            10    7  12 1 #Down
            11    8  13 1
            12    8  14 1
            13    8  15 1 #Up
            14    9  16 1
            15   10  17 1 #Up
            16   10  18 1
            17   10  19 1 #Down
            18   11  20 1
            19   13  21 1
            20   14  22 1
            21   17  23 2
            22   21  24 1
            23   21  25 2
            24   22   1 1 #Up
            25   13  20 1
            26   16  18 2
            27   22  24 1
            28    4   5 2
            29    9  26 1 #Up
            30   26  17 1


entry: C09078
name: --- - Cotylenin F
formula: C33H54O11
kcf:
ATOM        44
            1   C2y C    16.4297  -16.1763
            2   C1z C    16.1366  -16.9529
            3   C1y C    16.0815  -15.4246
            4   C2y C    17.2581  -16.2142
            5   C2x C    15.3807  -17.2984
            6   C1x C    16.7822  -17.4743
            7   C1a C    15.9159  -17.7467
            8   O2a O    16.4918  -14.7031
            9   C1y C    15.3049  -15.1307
            10  C1x C    17.4753  -17.0184
            11  C1c C    17.7794  -15.5728
            12  C2y C    14.6007  -17.0012
            13  C1y C    16.4849  -13.8680
            14  C1y C    14.5490  -15.4763
            15  O1a O    15.2773  -14.2990
            16  C1a C    18.6009  -15.7004
            17  C1a C    17.4788  -14.7997
            18  C1y C    14.2594  -16.2529
            19  C1z C    13.9931  -17.5605
            20  O2x O    17.2064  -13.4465
            21  C1y C    15.7600  -13.4569
            22  C1a C    13.9414  -14.9100
            23  C1x C    13.4379  -16.3495
            24  C1x C    13.2717  -17.1570
            25  C1b C    14.0897  -18.3853
            26  O1a O    13.5759  -18.2784
            27  C1y C    17.2029  -12.6148
            28  C1y C    15.7566  -12.6217
            29  O1a O    15.0387  -13.8749
            30  O2a O    14.8042  -18.7930
            31  C1y C    16.4780  -12.2010
            32  C1b C    17.9243  -12.1941
            33  O1a O    15.0318  -12.2079
            34  C1a C    15.5221  -18.3784
            35  O2a O    16.4711  -11.3693
            36  O2a O    18.6388  -12.6010
            37  C1d C    17.1891  -10.9478
            38  C1a C    19.3568  -12.1837
            39  C1y C    17.9105  -11.3589
            40  C1b C    16.7684  -10.2270
            41  C1a C    17.4029  -10.1431
            42  C1x C    18.6388  -11.7727
            43  O2x O    18.6319  -10.9444
            44  O1a O    16.9788   -9.4228
BOND        48
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 2
            12   13   8 1 #Down
            13    9  14 1
            14    9  15 1 #Up
            15   11  16 1
            16   11  17 1
            17   12  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 1
            21   14  22 1 #Up
            22   18  23 1
            23   19  24 1
            24   19  25 1 #Up
            25   19  26 1 #Down
            26   20  27 1
            27   21  28 1
            28   21  29 1 #Down
            29   25  30 1
            30   27  31 1
            31   27  32 1 #Up
            32   28  33 1 #Up
            33   30  34 1
            34   31  35 1 #Down
            35   32  36 1
            36   35  37 1
            37   36  38 1
            38   37  39 1
            39   37  40 1 #Down
            40   37  41 1 #Up
            41   39  42 1
            42   39  43 1 #Up
            43   40  44 1
            44    6  10 1
            45   14  18 1
            46   23  24 1
            47   28  31 1
            48   42  43 1


entry: C09079
name: --- - Cyathin A3
formula: C20H30O3
kcf:
ATOM        23
            1   C2y C    -0.7517    0.5586
            2   C1y C    -0.0310    0.1448
            3   C1z C    -0.7483    1.3862
            4   C2y C    -1.5379    0.3034
            5   C1z C     0.6828    0.5655
            6   C1x C    -0.1483   -0.6724
            7   C1x C    -0.0414    1.8000
            8   C1x C    -1.5345    1.6414
            9   C1a C    -0.7552    2.2172
            10  C1x C    -2.0207    0.9724
            11  C1c C    -1.7966   -0.4862
            12  C5x C     1.4586    0.2655
            13  C1x C     0.6793    1.3931
            14  C1a C     0.6793   -0.2621
            15  C1y C     0.4207   -1.2793
            16  C1a C    -2.6069   -0.6552
            17  C1a C    -1.2414   -1.1000
            18  C2x C     1.7103   -0.5241
            19  O5x O     2.0621    0.8345
            20  C2y C     1.2483   -1.2069
            21  O1a O     0.1207   -2.0552
            22  C1b C     1.6655   -1.9207
            23  O1a O     2.4931   -1.9207
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    5  14 1 #Down
            14    6  15 1
            15   11  16 1
            16   11  17 1
            17   12  18 1
            18   12  19 2
            19   15  20 1
            20   15  21 1 #Down
            21   20  22 1
            22   22  23 1
            23    7  13 1
            24    8  10 1
            25   18  20 2


entry: C09080
name: --- - Daphnetoxin
formula: C27H30O8
kcf:
ATOM        35
            1   C1z C    -0.4000   -0.4414
            2   C1y C     0.2724   -0.8069
            3   C1y C    -1.0276   -0.7586
            4   O2x O     0.2586   -0.0586
            5   C1y C    -0.4207    0.3172
            6   C1y C     0.4103   -1.5483
            7   C1y C     0.9172   -0.4000
            8   C1z C    -1.2931   -1.4621
            9   C2x C    -1.6172   -0.2828
            10  C1z C     0.8862    1.8690
            11  C1x C     0.2276    0.7172
            12  C1a C    -1.0897    0.6759
            13  C1z C    -0.0966   -2.1103
            14  O2x O     0.6517   -2.2621
            15  C1z C     0.9000    0.3552
            16  O2x O     1.6448   -0.5966
            17  C1y C    -0.8552   -2.0793
            18  C5x C    -2.0483   -1.4241
            19  O1a O    -1.4931   -2.1931
            20  C2y C    -2.2414   -0.7034
            21  O2x O     0.8897    1.1172
            22  C8y C     0.8828    2.6241
            23  C1b C     0.2793   -2.7621
            24  C2c C     1.5448    0.7379
            25  O1a O    -0.8621   -2.8345
            26  O5x O    -2.5207   -2.0172
            27  C1a C    -2.9517   -0.4310
            28  C8x C     1.5310    3.0069
            29  C8x C     0.2241    2.9966
            30  O1a O     1.0379   -2.7621
            31  C1a C     1.5345    1.4931
            32  C2a C     2.2034    0.3690
            33  C8x C     1.5276    3.7690
            34  C8x C     0.2241    3.7586
            35  C8x C     0.8759    4.1345
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 2
            20   10  21 1
            21   10  22 1
            22   13  23 1 #Up
            23   15  24 1 #Up
            24   17  25 1 #Up
            25   18  26 2
            26   20  27 1
            27   22  28 1
            28   22  29 2
            29   23  30 1
            30   24  31 1
            31   24  32 2
            32   28  33 2
            33   29  34 1
            34   33  35 1
            35   10  16 1
            36   11  15 1
            37   13  14 1
            38   13  17 1
            39   15  21 1 #Down
            40   18  20 1
            41   34  35 2


entry: C09081
name: --- - 7beta,12alpha-Dihydroxykaurenolide
formula: C20H28O4
kcf:
ATOM        24
            1   C1z C     5.5094  -12.0161
            2   C1y C     4.8211  -11.6134
            3   C1y C     5.5094  -12.8147
            4   C1x C     6.2052  -11.6237
            5   C1z C     4.1260  -12.0092
            6   C1x C     4.8280  -10.8148
            7   C1y C     4.8177  -13.2105
            8   O1a O     6.2017  -13.2174
            9   C1y C     6.2121  -10.8251
            10  C1y C     4.1260  -12.8078
            11  C1x C     3.4371  -11.6099
            12  C1a C     4.1191  -11.2107
            13  C1y C     5.5197  -10.4224
            14  C1z C     3.4302  -13.2105
            15  C1x C     2.7385  -12.0092
            16  O1a O     5.5266   -9.6169
            17  C1x C     2.7385  -12.8078
            18  C1a C     3.0275  -13.8995
            19  C1x C     6.2167  -12.4208
            20  C2y C     6.9125  -11.2333
            21  C2a C     7.7022  -11.0281
            22  O7x O     4.6000  -14.0000
            23  C7x C     3.6417  -14.0000
            24  O7x O     3.1431  -14.6458
BOND        28
            1     3   7 1
            2     3   8 1 #Up
            3     4   9 1
            4     5  10 1
            5     5  11 1
            6     5  12 1 #Down
            7     6  13 1
            8    10  14 1
            9    11  15 1
            10   13  16 1 #Down
            11   14  17 1
            12   14  18 1 #Up
            13    7  10 1
            14    9  13 1
            15   15  17 1
            16    1  19 1 #Up
            17    1   2 1
            18    9  20 1 #Up
            19   19  20 1
            20    1   3 1
            21   20  21 2
            22    1   4 1
            23    7  22 1
            24    2   5 1
            25   14  23 1
            26   23  22 1
            27    2   6 1
            28   23  24 2


entry: C09082
name: --- - Borreverine
formula: C32H40N4
kcf:
ATOM        36
            1   C8x C    14.7911  -11.5473
            2   C8x C    14.0861  -11.9577
            3   C8x C    14.0893  -12.7758
            4   C8x C    15.5034  -11.9550
            5   C8y C    15.5045  -12.7696
            6   C8y C    14.7954  -13.1810
            7   N4x N    14.9703  -13.9796
            8   C8y C    15.7833  -14.0584
            9   C8y C    16.1161  -13.3112
            10  C1y C    16.9796  -15.0250
            11  C1y C    16.9796  -15.8417
            12  C2x C    17.6915  -16.2500
            13  C2y C    18.3952  -15.8417
            14  C1x C    18.3952  -15.0250
            15  C1z C    17.6915  -14.6125
            16  C8x C    13.5292  -15.6917
            17  C8x C    13.5292  -16.5084
            18  C8x C    14.2329  -16.9166
            19  C8x C    14.2329  -15.2833
            20  C8y C    14.9407  -15.6917
            21  C8y C    14.9416  -16.5090
            22  N1x N    15.7187  -16.7632
            23  C1z C    15.7172  -15.4357
            24  C1z C    16.2028  -16.1008
            25  C1y C    16.1983  -14.7713
            26  C1b C    16.8167  -12.9042
            27  C1b C    17.5209  -13.3042
            28  N1b N    18.2250  -12.9000
            29  C1a C    18.9292  -13.3000
            30  C1x C    16.5333  -15.4333
            31  N1y N    16.6042  -16.8041
            32  C1x C    17.3917  -16.5875
            33  C1a C    16.6000  -17.6250
            34  C1a C    19.0958  -16.2500
            35  C1a C    17.2709  -13.9042
            36  C1a C    18.2625  -14.0334
BOND        42
            1    18  21 1
            2    20  19 1
            3    19  16 2
            4     9   5 1
            5     4   1 2
            6    20  21 2
            7    21  22 1
            8    22  24 1
            9    23  20 1
            10    1   2 1
            11    2   3 2
            12    3   6 1
            13   23  24 1
            14   24  11 1
            15   10  25 1
            16   25  23 1
            17   25   8 1
            18    5   4 1
            19    9  26 1
            20   10  11 1
            21   26  27 1
            22   11  12 1
            23   27  28 1
            24   12  13 2
            25   28  29 1
            26   13  14 1
            27   23  30 1 #Up
            28   14  15 1
            29   24  31 1 #Up
            30   15  10 1
            31   31  32 1
            32   30  32 1
            33    5   6 2
            34   31  33 1
            35    6   7 1
            36   13  34 1
            37    7   8 1
            38    8   9 2
            39   15  35 1
            40   16  17 1
            41   15  36 1
            42   17  18 2


entry: C09083
name: --- - Brevicolline
formula: C17H19N3
kcf:
ATOM        20
            1   C8y C     5.1878  -12.7776
            2   C8y C     5.4499  -12.0086
            3   C8y C     4.4499  -13.1121
            4   C8y C     5.7326  -13.3845
            5   C1y C     4.8809  -11.3741
            6   C8x C     6.2430  -11.8431
            7   C8y C     4.4775  -13.9224
            8   C8x C     3.7292  -12.7293
            9   N4x N     5.3258  -14.0879
            10  C8y C     6.5292  -13.2190
            11  N1y N     5.0602  -10.5397
            12  C1x C     4.0326  -11.4603
            13  N5x N     6.7844  -12.4466
            14  C8x C     3.7844  -14.3500
            15  C8x C     3.0395  -13.1569
            16  C1a C     7.0878  -13.8534
            17  C1x C     4.3258  -10.1121
            18  C1a C     5.6947   -9.9741
            19  C1x C     3.6913  -10.6776
            20  C8x C     3.0706  -13.9707
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 2
            15   10  16 1
            16   11  17 1
            17   11  18 1
            18   12  19 1
            19   14  20 2
            20    7   9 1
            21   10  13 2
            22   15  20 1
            23   17  19 1


entry: C09084
name: --- - Brucine
formula: C23H26N2O4
kcf:
ATOM        29
            1   C8y C     3.2736  -12.6335
            2   C8x C     3.9538  -12.9951
            3   C8y C     4.6107  -12.5783
            4   C8y C     3.2424  -11.8573
            5   C8x C     3.8988  -11.4467
            6   C8y C     4.5832  -11.8041
            7   C1y C     5.8290  -12.0872
            8   C1z C     5.3096  -11.4654
            9   N1y N     5.3988  -12.7777
            10  C1x C     6.7768  -10.0039
            11  C5x C     5.9728  -13.4158
            12  C1x C     6.7394  -13.3370
            13  C1y C     7.0525  -12.6280
            14  O5x O     5.6379  -14.1608
            15  C1x C     6.4463  -10.6717
            16  C1y C     5.6804  -10.7599
            17  C1y C     6.5996  -11.9980
            18  C1y C     6.8999  -11.2951
            19  C2y C     7.6444  -11.0932
            20  C2x C     8.2618  -11.5408
            21  O2x O     7.7139  -12.8148
            22  C1x C     8.2924  -12.3055
            23  N1y N     5.2270  -10.1431
            24  O2a O     2.5375  -11.4500
            25  C1a C     1.8375  -11.8542
            26  O2a O     2.6209  -13.0417
            27  C1a C     1.9417  -12.6833
            28  C1x C     4.4375  -10.3500
            29  C1x C     4.2292  -11.1333
BOND        35
            1    15  16 1
            2    16   8 1
            3     7   8 1
            4     8   6 1
            5    17  18 1
            6     3   9 1
            7    18  19 1
            8     9   7 1
            9    19  20 2
            10    3   6 2
            11    5   4 2
            12   20  22 1
            13   21  22 1
            14   13  21 1
            15    4   1 1
            16   16  23 1
            17   10  19 1
            18   23  10 1
            19    9  11 1
            20    4  24 1
            21   11  12 1
            22   24  25 1
            23   12  13 1
            24    1  26 1
            25    5   6 1
            26   26  27 1
            27   13  17 1
            28   11  14 2
            29    1   2 2
            30    2   3 1
            31   23  28 1
            32    7  17 1
            33   28  29 1
            34    8  29 1 #Up
            35   18  15 1


entry: C09085
name: --- - Calebassone - C-Calebassine
formula: C40H48N4O2
kcf:
ATOM        46
            1   C8x C    19.5011  -15.1523
            2   C8x C    19.4892  -14.3691
            3   C8x C    18.7964  -13.9878
            4   C8x C    18.8201  -15.5585
            5   C8y C    18.1272  -15.1730
            6   C8y C    18.1195  -14.3897
            7   N1y N    17.3556  -14.0810
            8   C1z C    16.8638  -14.7507
            9   C1z C    17.3404  -15.4213
            10  C8x C    13.1224  -13.1025
            11  C8x C    13.7927  -13.5146
            12  C8y C    14.4893  -13.1401
            13  C8x C    13.1451  -12.3135
            14  C8x C    13.8452  -11.9412
            15  C8y C    14.5113  -12.3492
            16  C1z C    15.7580  -12.7341
            17  C1z C    15.2788  -12.0665
            18  N1y N    15.2687  -13.4026
            19  C1x C    16.2198  -16.1427
            20  C1y C    17.0072  -16.1259
            21  C1y C    16.1897  -14.7914
            22  C1y C    15.8175  -15.4714
            23  N2y N    17.4058  -16.7947 #+
            24  C1x C    18.1437  -16.5770
            25  C1x C    18.3339  -15.8278
            26  C2y C    15.4439  -16.1621
            27  C1x C    16.7419  -17.1904
            28  C1a C    17.8134  -17.4522
            29  C2b C    14.6229  -16.1799
            30  C1a C    14.1994  -15.4726
            31  C1y C    16.9654  -13.4240
            32  C1y C    15.7705  -14.0795
            33  O1a O    16.6787  -14.1844
            34  C1x C    16.5078  -11.3609
            35  C1y C    15.7288  -11.3777
            36  C1y C    16.5421  -12.7122
            37  C1y C    16.9143  -12.0363
            38  N2y N    15.3301  -10.7089 #+
            39  C1x C    14.5839  -10.9307
            40  C1x C    14.3979  -11.6799
            41  C2y C    17.2879  -11.3456
            42  C1x C    15.9898  -10.3131
            43  C1a C    14.9226  -10.0554
            44  C2b C    18.1089  -11.3278
            45  C1a C    18.5324  -12.0351
            46  O1a O    16.0489  -13.3233
BOND        57
            1    24  25 1
            2     9  25 1 #Up
            3     1   2 1
            4    22  26 1
            5    10  11 2
            6    23  27 1
            7    27  26 1
            8    11  12 1
            9    23  28 1 #Down
            10   12  15 2
            11   26  29 2
            12   14  13 2
            13   29  30 1
            14   13  10 1
            15    7  31 1
            16   14  15 1
            17   21  32 1
            18   31  32 1
            19    2   3 2
            20    8  33 1 #Up
            21    6   7 1
            22    7   8 1
            23   16  36 1
            24   37  34 1
            25   34  35 1
            26   35  17 1
            27   16  17 1
            28   17  15 1
            29   36  37 1
            30   12  18 1
            31   35  38 1
            32   18  16 1
            33   38  39 1
            34    8   9 1
            35   39  40 1
            36   17  40 1 #Up
            37    9   5 1
            38   37  41 1
            39    8  21 1
            40   38  42 1
            41   42  41 1
            42   22  19 1
            43   38  43 1 #Down
            44   19  20 1
            45   41  44 2
            46   20   9 1
            47   44  45 1
            48   18  32 1
            49   36  31 1
            50    3   6 1
            51   16  46 1 #Up
            52    5   4 1
            53   21  22 1
            54    4   1 2
            55   20  23 1
            56    5   6 2
            57   23  24 1


entry: C09086
name: --- - Diterpenoid EF-D - 12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate
formula: C27H38O7
kcf:
ATOM        34
            1   C1z C    17.0457  -13.9948
            2   C1y C    17.0491  -14.8293
            3   C1z C    17.7733  -14.4017
            4   C1x C    16.3216  -13.5776
            5   O7a O    17.6284  -13.4017
            6   C1y C    16.3284  -15.2431
            7   C1a C    18.4871  -14.8190
            8   C1a C    18.4871  -13.9845
            9   C1y C    15.6009  -14.0017
            10  C7a C    17.6250  -12.5707
            11  C1z C    15.6043  -14.8362
            12  C2x C    16.4560  -16.0638
            13  C1a C    14.8802  -13.5845
            14  C1c C    18.3388  -12.1569
            15  O7a O    16.9043  -12.1638
            16  C1y C    14.8871  -15.1500
            17  O1a O    15.5974  -15.6569
            18  C2y C    15.8905  -16.6707
            19  C1b C    19.0595  -12.5638
            20  C1a C    18.3319  -11.3259
            21  C1z C    14.5974  -15.9259
            22  C2x C    14.2388  -14.6362
            23  C1x C    15.0629  -16.6155
            24  C1b C    16.6009  -17.0741
            25  C1a C    19.8526  -12.3431
            26  C5x C    13.7698  -15.8845
            27  O1a O    14.3767  -16.7259
            28  C2y C    13.5526  -15.0914
            29  O7a O    17.3147  -16.6603
            30  O5x O    13.2526  -16.5362
            31  C1a C    12.7767  -14.8017
            32  C7a C    18.0250  -17.0707
            33  O7a O    18.0285  -17.8948
            34  C1a C    18.7388  -16.6569
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    9  13 1 #Down
            13   10  14 1
            14   10  15 2
            15   11  16 1
            16   11  17 1 #Down
            17   12  18 2
            18   14  19 1
            19   14  20 1
            20   16  21 1
            21   16  22 1
            22   18  23 1
            23   18  24 1
            24   19  25 1
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 2
            28   24  29 1
            29   26  30 2
            30   28  31 1
            31   29  32 1
            32   32  33 2
            33   32  34 1
            34    2   3 1
            35    9  11 1
            36   21  23 1
            37   26  28 1


entry: C09087
name: --- - Diterpenoid SP-II
formula: C20H32O4
kcf:
ATOM        24
            1   C1y C     4.4272  -11.1954
            2   C1z C     5.1174  -11.6043
            3   C1z C     3.7293  -11.5974
            4   C1x C     4.4341  -10.3948
            5   C1x C     5.8152  -11.2092
            6   C1x C     5.1174  -12.4083
            7   C1y C     3.7259  -12.4014
            8   C1x C     3.0315  -11.1919
            9   C1a C     3.7224  -10.7934
            10  C1x C     5.1277  -10.0031
            11  C1y C     5.8221  -10.4052
            12  C1x C     4.4203  -12.8035
            13  C1z C     3.0315  -12.8035
            14  C1x C     2.3344  -11.5974
            15  C1x C     2.3344  -12.4014
            16  C1a C     3.2375  -13.5792
            17  C6a C     2.8167  -13.5792
            18  O6a O     3.0250  -14.3625
            19  O6a O     2.0083  -13.5756
            20  C1x C     5.8167  -12.0083
            21  C1z C     6.5208  -10.8083
            22  C1b C     7.2167  -10.4000
            23  O1a O     7.9209  -10.8002
            24  O1a O     7.2167  -11.2125
BOND        27
            1     4  10 1
            2     5  11 1
            3     6  12 1
            4     7  13 1
            5     8  14 1
            6    13  15 1
            7     7  12 1
            8    10  11 1
            9    14  15 1
            10   13  16 1 #Up
            11    1   2 1
            12   13  17 1 #Down
            13    1   3 1
            14   17  18 1
            15    1   4 1
            16   17  19 2
            17    2   5 1
            18    2  20 1 #Up
            19    2   6 1
            20   11  21 1 #Up
            21   20  21 1
            22    3   7 1
            23   21  22 1 #Up
            24    3   8 1
            25   22  23 1
            26    3   9 1 #Down
            27   21  24 1 #Down


entry: C09088
name: --- - Callichiline
formula: C42H48N4O5
kcf:
ATOM        51
            1   C1z C     4.7917  -12.3209
            2   N1y N     3.6477  -11.6328
            3   C1y C     4.1101  -10.9789
            4   C1z C     3.6249  -10.3344
            5   C1x C     2.8676  -10.6000
            6   C1x C     2.8838  -11.3999
            7   C8x C     1.6115  -10.1039
            8   C8x C     1.6226   -9.3457
            9   C8x C     2.2900   -8.9720
            10  C8x C     2.2678  -10.4969
            11  C8y C     2.9353  -10.1233
            12  C8y C     2.9464   -9.3650
            13  C2y C     4.8398   -9.6690
            14  C1x C     5.2075  -10.3375
            15  C7a C     5.2542   -8.9839
            16  O7a O     6.0523   -9.0013
            17  C1a C     6.4345   -9.7030
            18  O7a O     4.8642   -8.2800
            19  C1z C     4.8176  -10.9889
            20  C1x C     4.0231  -12.3067
            21  C1y C     5.1889  -11.6628
            22  O2x O     5.9876  -11.6765
            23  C1x C     6.2151  -10.9069
            24  C1x C     5.5344  -10.4932
            25  C2y C     4.0736   -9.6491
            26  N1x N     3.5805   -9.0742
            27  C1x C     6.3174  -15.1702
            28  C1y C     6.6198  -13.9123
            29  C1z C     5.8199  -13.9746
            30  C1y C     5.6343  -14.7525
            31  N1y N     6.9526  -13.2671
            32  C1x C     8.1372  -13.9935
            33  C1x C     7.7523  -13.2892
            34  C1x C     6.5626  -12.5902
            35  C1x C     5.7764  -12.5708
            36  C1z C     5.3665  -13.2428
            37  C1y C     7.7183  -14.6759
            38  C1z C     6.9225  -14.6536
            39  C1x C     6.6572  -15.4026
            40  C1x C     7.2882  -15.8839
            41  O2x O     7.9411  -15.4345
            42  C1x C     4.5833  -13.0917
            43  C8x C     3.4359  -13.3489
            44  C8x C     2.7442  -13.7523
            45  C8x C     2.7491  -14.5538
            46  C8y C     3.4434  -14.9482
            47  C8y C     4.1351  -14.5448
            48  C8y C     4.1324  -13.7469
            49  O2a O     3.4484  -15.7417
            50  C1a C     4.1409  -16.1329
            51  N1x N     4.8250  -14.9417
BOND        63
            1    25  26 1
            2    26  12 1
            3    11   4 1
            4    25  13 2
            5    13  14 1
            6    14  19 1
            7     3   4 1
            8    13  15 1
            9     4   5 1 #Down
            10   27  38 1
            11   38  28 1
            12   28  29 1
            13   29  30 1
            14   30  27 1
            15   31  34 1
            16   15  16 1
            17    5   6 1
            18   16  17 1
            19   31  28 1
            20   37  32 1
            21   32  33 1
            22   33  31 1
            23    6   2 1
            24   15  18 2
            25    7   8 1
            26   34  35 1
            27   35  36 1
            28   36  29 1
            29    8   9 2
            30    9  12 1
            31   19   3 1
            32    2  20 1
            33   20   1 1
            34   37  38 1
            35   38  39 1 #Down
            36   39  40 1
            37   40  41 1
            38   41  37 1
            39    1  21 1
            40   21  19 1
            41    1  36 1
            42   11  10 1
            43    1  42 1 #Up
            44   30  42 1 #Up
            45   21  22 1
            46   10   7 2
            47   22  23 1
            48   11  12 2
            49   23  24 1
            50   19  24 1 #Up
            51   43  44 2
            52   44  45 1
            53   45  46 2
            54   46  47 1
            55   47  48 2
            56   48  43 1
            57   46  49 1
            58    2   3 1
            59   49  50 1
            60    4  25 1
            61   47  51 1
            62   29  51 1 #Down
            63   36  48 1 #Down


entry: C09089
name: --- - Calligonine
formula: C12H14N2
kcf:
ATOM        14
            1   C8y C     5.2358  -11.8440
            2   C8y C     4.4668  -12.1302
            3   C8y C     5.7461  -12.4888
            4   C1x C     5.5427  -11.0784
            5   C8y C     4.4737  -12.9509
            6   C8x C     3.7496  -11.7233
            7   N4x N     5.2909  -13.1750
            8   C1y C     6.5599  -12.3716
            9   C1x C     6.3599  -10.9578
            10  C8x C     3.7599  -13.3681
            11  C8x C     3.0358  -12.1405
            12  N1x N     6.8703  -11.6060
            13  C1a C     7.0910  -13.0509
            14  C8x C     3.0427  -12.9612
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    8  12 1
            12    8  13 1 #Down
            13   10  14 2
            14    5   7 1
            15    9  12 1
            16   11  14 1


entry: C09090
name: --- - Enmein
formula: C20H26O6
kcf:
ATOM        26
            1   C1z C    -0.3448   -0.3103
            2   C1y C     0.3621    0.0931
            3   C1y C    -0.3448   -1.1241
            4   C1y C    -1.0586    0.1000
            5   C1x C     0.5276   -0.2207
            6   C1z C     0.3690    0.9138
            7   C1x C     1.0621   -0.3103
            8   C1z C    -1.0586   -1.5448
            9   C1y C     0.3621   -1.5345
            10  O7x O    -1.0517    0.9207
            11  C1x C    -1.7690   -0.3103
            12  O2x O     0.9448   -0.9414
            13  C1x C     1.0759    1.3138
            14  C5x C     0.5793    1.7103
            15  C7x C    -0.3379    1.3276
            16  C1x C     1.7655    0.0828
            17  C1y C    -1.7690   -1.1310
            18  C1a C    -1.4759   -2.2517
            19  C1a C    -0.8483   -2.3345
            20  O1a O     0.3552   -2.3517
            21  C1y C     1.7759    0.8966
            22  C2y C     1.5621    1.6931
            23  O5x O     0.0793    2.3621
            24  O7x O    -0.3448    2.1517
            25  O1a O    -2.4793   -1.5448
            26  C2a C     2.0655    2.3379
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    6  15 1
            15    7  16 1
            16    8  17 1
            17    8  18 1
            18    8  19 1
            19    9  20 1 #Up
            20   13  21 1
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   17  25 1 #Up
            25   22  26 2
            26    9  12 1
            27   10  15 1
            28   11  17 1
            29   16  21 1
            30   21  22 1 #Down


entry: C09091
name: --- - Euphorbia factor Ti2
formula: C32H42O7
kcf:
ATOM        39
            1   C1z C    15.0946  -18.1518
            2   C1y C    15.0732  -18.9780
            3   C1z C    15.8047  -18.5701
            4   C1y C    14.3844  -17.7156
            5   C1y C    14.3491  -19.3748
            6   C1y C    13.6493  -18.1200
            7   O7a O    14.3809  -16.8860
            8   C1z C    13.6356  -18.9497
            9   C2x C    14.4547  -20.1975
            10  C1a C    12.9468  -17.6838
            11  C7a C    13.6638  -16.4747
            12  C1y C    12.8970  -19.2451
            13  O1a O    13.6321  -19.7759
            14  C2y C    13.8743  -20.7884
            15  C1a C    12.9502  -16.8860
            16  O7a O    13.6638  -15.6450
            17  C1y C    12.5982  -20.0112
            18  C2x C    12.2572  -18.7212
            19  C1x C    13.0482  -20.7110
            20  C5x C    11.7754  -19.9656
            21  C2y C    11.5684  -19.1712
            22  O5x O    11.2516  -20.6088
            23  C1a C    10.7947  -18.8759
            24  C1a C    16.5167  -18.9791
            25  C1a C    16.5167  -18.1500
            26  C1b C    14.5834  -21.2000
            27  O1a O    15.2959  -20.7875
            28  O7a O    15.8042  -17.7333
            29  C7a C    15.8000  -16.9083
            30  O7a O    15.0834  -16.4996
            31  C2b C    16.5123  -16.4921
            32  C2b C    17.3333  -16.4917
            33  C2b C    18.0458  -16.9000
            34  C2b C    18.7583  -16.4875
            35  C2b C    19.4708  -16.8958
            36  C2b C    20.1833  -16.4833
            37  C1b C    20.8958  -16.8917
            38  C1b C    21.6083  -16.4792
            39  C1a C    22.3208  -16.8875
BOND        42
            1     6   8 1
            2    17  19 1
            3    20  21 1
            4     3  24 1
            5     1   2 1
            6     3  25 1
            7     1   3 1
            8    14  26 1
            9     1   4 1
            10   26  27 1
            11    2   5 1
            12    1  28 1 #Down
            13    4   6 1
            14   28  29 1
            15    4   7 1 #Up
            16    5   8 1
            17   29  30 2
            18    5   9 1
            19    6  10 1 #Down
            20    7  11 1
            21    8  12 1
            22    8  13 1 #Down
            23    9  14 2
            24   11  15 1
            25   11  16 2
            26   29  31 1
            27   12  17 1
            28   31  32 2
            29   12  18 1
            30   32  33 1
            31   14  19 1
            32   33  34 2
            33   17  20 1
            34   34  35 1
            35   18  21 2
            36   35  36 2
            37   20  22 2
            38   36  37 1
            39   21  23 1
            40   37  38 1
            41    2   3 1
            42   38  39 1


entry: C09092
name: --- - Ferruginol
formula: C20H30O
kcf:
ATOM        21
            1   C8y C    -0.0276    0.1724
            2   C1z C    -0.7414   -0.2345
            3   C8y C     0.6862   -0.2448
            4   C8x C    -0.0207    1.0000
            5   C1y C    -0.7448   -1.0655
            6   C1x C    -1.4586    0.1759
            7   C1a C    -0.7517    0.5931
            8   C8x C     1.4069    0.1621
            9   C1x C     0.6862   -1.0724
            10  C8y C     0.7000    1.4103
            11  C1z C    -1.4586   -1.4828
            12  C1x C    -0.0345   -1.4828
            13  C1x C    -2.1793   -0.2345
            14  C8y C     1.4138    0.9897
            15  O1a O     0.7069    2.2414
            16  C1x C    -2.1793   -1.0655
            17  C1a C    -1.8828   -2.1931
            18  C1a C    -1.2517   -2.2828
            19  C1c C     2.1345    1.4000
            20  C1a C     2.8517    0.9793
            21  C1a C     2.1414    2.2276
BOND        23
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 2
            14   10  15 1
            15   11  16 1
            16   11  17 1
            17   11  18 1
            18   14  19 1
            19   19  20 1
            20   19  21 1
            21    9  12 1
            22   10  14 1
            23   13  16 1


entry: C09093
name: --- - Fusicoccin H
formula: C26H42O8
kcf:
ATOM        34
            1   C2y C    16.6783  -14.7659
            2   C1z C    16.3921  -15.5426
            3   C1y C    16.3301  -14.0100
            4   C2y C    17.5066  -14.8004
            5   C2x C    15.6362  -15.8880
            6   C1x C    17.0411  -16.0605
            7   C1a C    16.1714  -16.3398
            8   O2a O    16.9204  -13.3371
            9   C1y C    15.5534  -13.7238
            10  C1x C    17.7315  -15.6012
            11  C1c C    18.0246  -14.1556
            12  C2y C    14.8596  -15.5943
            13  C1y C    16.9169  -12.4560
            14  C1y C    14.7975  -14.0686
            15  O1a O    15.5846  -13.0051
            16  C1a C    18.8426  -14.2763
            17  C1a C    17.7211  -13.3859
            18  C1y C    14.5113  -14.8487
            19  C1y C    14.2630  -16.1605
            20  O2x O    17.6349  -12.0353
            21  C1y C    16.1921  -12.0457
            22  C1a C    14.1900  -13.5100
            23  C1x C    13.6934  -14.9529
            24  C1x C    13.5383  -15.7639
            25  C1b C    14.3630  -16.9853
            26  C1y C    17.6280  -11.2036
            27  C1y C    16.1887  -11.2105
            28  O1a O    15.4776  -12.4671
            29  O1a O    15.1293  -17.3060
            30  C1y C    16.9066  -10.7891
            31  C1b C    18.3453  -10.7822
            32  O1a O    15.4603  -10.7995
            33  O1a O    16.9031   -9.9573
            34  O1a O    19.0633  -11.1932
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 2
            12   13   8 1 #Down
            13    9  14 1
            14    9  15 1 #Up
            15   11  16 1
            16   11  17 1
            17   12  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 1
            21   14  22 1 #Up
            22   18  23 1
            23   19  24 1
            24   19  25 1 #Up
            25   20  26 1
            26   21  27 1
            27   21  28 1 #Down
            28   25  29 1
            29   26  30 1
            30   26  31 1 #Up
            31   27  32 1 #Up
            32   30  33 1 #Down
            33   31  34 1
            34    6  10 1
            35   14  18 1
            36   23  24 1
            37   27  30 1


entry: C09094
name: --- - Geranylgeraniol - 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-
formula: C20H34O
kcf:
ATOM        21
            1   C2c C    16.6594  -15.5418
            2   C1b C    15.9421  -15.9591
            3   C2b C    17.3732  -15.9556
            4   C1a C    16.6594  -14.7142
            5   C1b C    15.2249  -15.5453
            6   C1b C    18.0904  -15.5384
            7   C2b C    14.5111  -15.9625
            8   C1b C    18.8042  -15.9487
            9   C2c C    13.7939  -15.5487
            10  C2c C    19.5214  -15.5349
            11  C1b C    13.0766  -15.9659
            12  C1a C    13.7904  -14.7211
            13  C2b C    20.2387  -15.9453
            14  C1a C    19.5214  -14.7039
            15  C1b C    12.3594  -15.5556
            16  C1b C    20.9559  -15.5280
            17  C2b C    11.6421  -15.9728
            18  O1a O    21.6732  -15.9418
            19  C2c C    10.9318  -15.5591
            20  C1a C    10.2145  -15.9763
            21  C1a C    10.9283  -14.7280
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 2
            9     8  10 1
            10    9  11 1
            11    9  12 1
            12   10  13 2
            13   10  14 1
            14   11  15 1
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 2
            19   19  20 1
            20   19  21 1


entry: C09095
name: --- - Gnidicin
formula: C36H36O10
kcf:
ATOM        46
            1   C1z C    16.6792  -16.0289
            2   C1y C    17.3641  -16.3986
            3   C1y C    16.0432  -16.3503
            4   O2x O    17.3503  -15.6378
            5   C1y C    16.6585  -15.2578
            6   C1y C    17.5020  -17.1525
            7   C1y C    18.0172  -15.9833
            8   C1z C    15.7736  -17.0621
            9   C2x C    15.4453  -15.8661
            10  C1z C    17.9862  -13.6810
            11  C1y C    17.3193  -14.8495
            12  C1a C    15.9811  -14.8949
            13  C1z C    16.9867  -17.7228
            14  O2x O    17.6642  -17.7913
            15  C1z C    18.0000  -15.2198
            16  O2x O    18.7573  -16.1841
            17  C1y C    16.2198  -17.6918
            18  C5x C    15.0059  -17.0241
            19  O1a O    15.5694  -17.8056
            20  C2y C    14.8128  -16.2951
            21  O2x O    17.9897  -14.4453
            22  C8y C    17.9828  -12.9134
            23  C1b C    17.3710  -18.3829
            24  C2c C    18.6573  -14.8288
            25  O1a O    16.2129  -18.4553
            26  O5x O    14.5293  -17.6255
            27  C1a C    14.0900  -16.0185
            28  C8x C    18.6393  -12.5264
            29  C8x C    17.3158  -12.5367
            30  O1a O    18.1421  -18.3829
            31  C1a C    18.6428  -14.0611
            32  C2a C    19.3242  -15.2060
            33  C8x C    18.6359  -11.7518
            34  C8x C    17.3158  -11.7622
            35  C8x C    17.9759  -11.3845
            36  O7a O    17.3125  -13.9875
            37  C7a C    16.6417  -13.6042
            38  C2b C    15.9750  -13.9875
            39  C2b C    15.3042  -13.6042
            40  O7a O    16.6417  -12.8319
            41  C8y C    14.6383  -13.9889
            42  C8x C    13.9691  -13.6056
            43  C8x C    13.3032  -13.9903
            44  C8x C    13.3040  -14.7625
            45  C8x C    13.9707  -15.1458
            46  C8x C    14.6407  -14.7611
BOND        53
            1     5  12 1 #Down
            2     6  13 1
            3     6  14 1
            4     7  15 1
            5     7  16 1 #Down
            6     8  17 1
            7     8  18 1
            8     8  19 1 #Up
            9     9  20 2
            10   10  21 1
            11   10  22 1
            12   13  23 1 #Up
            13   15  24 1 #Up
            14   17  25 1 #Up
            15   18  26 2
            16   20  27 1
            17   22  28 1
            18   22  29 2
            19   23  30 1
            20   24  31 1
            21   24  32 2
            22   28  33 2
            23   29  34 1
            24   33  35 1
            25   10  16 1
            26   11  15 1
            27   13  14 1
            28   13  17 1
            29   15  21 1 #Down
            30   18  20 1
            31   34  35 2
            32   11  36 1 #Up
            33    1   2 1
            34   36  37 1
            35    1   3 1
            36   37  38 1
            37    1   4 1 #Down
            38   38  39 2
            39    1   5 1
            40   37  40 2
            41    2   6 1
            42   39  41 1
            43    2   7 1
            44    3   8 1
            45    3   9 1
            46    4  10 1
            47    5  11 1
            48   41  42 2
            49   42  43 1
            50   43  44 2
            51   44  45 1
            52   45  46 2
            53   46  41 1


entry: C09096
name: --- - Gnididin
formula: C37H44O10
kcf:
ATOM        47
            1   C1z C    12.1372  -10.0164
            2   C1y C    12.8323  -10.3570
            3   C1y C    11.5000  -10.3570
            4   O2x O    12.8013   -9.6198
            5   C1y C    12.0820   -9.2378
            6   C1y C    13.4868   -9.9267
            7   C1y C    13.0047  -11.1142
            8   C1z C    11.2559  -11.0970
            9   C2x C    10.8876   -9.8991
            10  C1z C    13.4247   -7.5958
            11  C1y C    12.7289   -8.8040
            12  C1a C    11.3904   -8.8971
            13  C1z C    13.4350   -9.1488
            14  O2x O    14.1926  -10.1927
            15  C1z C    12.5124  -11.7094
            16  O2x O    13.2000  -11.7953
            17  C1y C    11.7379  -11.7025
            18  C5x C    10.4884  -11.0901
            19  O1a O    11.0858  -11.7811
            20  C2y C    10.2539  -10.3501
            21  O2x O    13.4281   -8.3703
            22  C8y C    13.4212   -6.8214
            23  O7a O    12.7220   -8.0296
            24  C2c C    14.0750   -8.7185
            25  C1b C    12.8910  -12.3776
            26  O1a O    11.7310  -12.4776
            27  O5x O    10.0270  -11.7059
            28  C1a C     9.5242  -10.0984
            29  C8x C    14.0853   -6.4359
            30  C8x C    12.7427   -6.4428
            31  C7a C    12.0579   -7.6372
            32  C1a C    14.0612   -7.9441
            33  C2a C    14.7322   -9.1040
            34  O1a O    13.6654  -12.3776
            35  C8x C    14.0819   -5.6615
            36  C8x C    12.7392   -5.6684
            37  C2b C    11.3870   -8.0296
            38  O7a O    12.0579   -6.8628
            39  C8x C    13.4109   -5.2760
            40  C2b C    10.7152   -7.6372
            41  C2b C    10.0546   -8.0296
            42  C2b C     9.3829   -7.6372
            43  C1b C     8.7154   -8.0296
            44  C1b C     8.0444   -7.6372
            45  C1b C     7.3727   -8.0296
            46  C1b C     6.7086   -7.6372
            47  C1a C     6.0445   -8.0296
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 2
            20   10  21 1
            21   10  22 1
            22   11  23 1 #Up
            23   13  24 1 #Up
            24   15  25 1 #Up
            25   17  26 1 #Up
            26   18  27 2
            27   20  28 1
            28   22  29 1
            29   22  30 2
            30   23  31 1
            31   24  32 1
            32   24  33 2
            33   25  34 1
            34   29  35 2
            35   30  36 1
            36   31  37 1
            37   31  38 2
            38   35  39 1
            39   37  40 2
            40   40  41 1
            41   41  42 2
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   10  14 1
            48   11  13 1
            49   13  21 1 #Down
            50   15  16 1
            51   15  17 1
            52   18  20 1
            53   36  39 2


entry: C09097
name: --- - Calycanthidine
formula: C23H28N4
kcf:
ATOM        27
            1   C1z C     4.8913  -12.4121
            2   C1z C     5.8120  -13.7086
            3   C8y C     5.6602  -12.1741
            4   C1y C     4.4292  -11.7466
            5   C1x C     4.3982  -13.0500
            6   C8y C     5.0499  -13.9466
            7   C1y C     6.2740  -14.3638
            8   C1x C     6.2947  -13.0707
            9   C8y C     5.6844  -11.3707
            10  C8x C     6.3464  -12.5914
            11  N1y N     4.9189  -11.1052
            12  N1y N     3.6568  -11.9707
            13  C1x C     3.6327  -12.7741
            14  C8y C     5.0361  -14.7466
            15  C8x C     4.3637  -13.5362
            16  N1x N     5.7947  -15.0086
            17  N1y N     7.0430  -14.1293
            18  C1x C     7.0499  -13.3293
            19  C8x C     6.3844  -10.9879
            20  C8x C     7.0499  -12.2121
            21  C1a C     4.4499  -10.4465
            22  C1a C     3.1878  -11.3155
            23  C8x C     4.3361  -15.1362
            24  C8x C     3.6637  -13.9224
            25  C1a C     7.7637  -14.4638
            26  C8x C     7.0706  -11.4086
            27  C8x C     3.6464  -14.7259
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 2
            9     3  10 1
            10    4  11 1
            11    4  12 1
            12    5  13 1
            13    6  14 2
            14    6  15 1
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    9  19 1
            19   10  20 2
            20   11  21 1
            21   12  22 1
            22   14  23 1
            23   15  24 2
            24   17  25 1
            25   19  26 2
            26   23  27 2
            27    9  11 1
            28   12  13 1
            29   14  16 1
            30   17  18 1
            31   20  26 1
            32   24  27 1


entry: C09098
name: --- - Canthin-6-one - 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one
formula: C14H8N2O
kcf:
ATOM        17
            1   C8y C     0.5000    0.0931
            2   N4y N    -0.0345   -0.5724
            3   C8y C     0.0379    0.8034
            4   C8y C     1.3103    0.0862
            5   C8y C    -0.7862   -0.2241
            6   C8y C     0.4897   -1.3069
            7   C8y C    -0.7862    0.5862
            8   C8x C     0.5069    1.5000
            9   C8x C     1.7069   -0.6172
            10  N5x N     1.7207    0.7862
            11  C8x C    -1.4828   -0.6276
            12  C8x C     1.2966   -1.3138
            13  O5x O     0.0517   -2.0379
            14  C8x C    -1.4828    0.9931
            15  C8x C     1.3207    1.4897
            16  C8x C    -2.1897   -0.2241
            17  C8x C    -2.1862    0.5862
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 2
            15   11  16 2
            16   14  17 2
            17    5   7 2
            18    9  12 2
            19   10  15 1
            20   16  17 1


entry: C09099
name: --- - Naringenin 7-O-beta-D-glucoside - Prunin
formula: C21H22O10
kcf:
ATOM        31
            1   C8y C    24.9667   -8.0375
            2   C8x C    24.9667   -8.8625
            3   C8y C    25.6829   -9.2750
            4   C8x C    25.6829   -7.6250
            5   C8y C    26.3949   -8.0375
            6   C8y C    26.3913   -8.8625
            7   C5x C    27.1040   -9.2780
            8   C1x C    27.8203   -8.8686
            9   C1y C    27.8238   -8.0436
            10  O2x O    27.1111   -7.6281
            11  C8y C    28.5400   -7.6342
            12  C8x C    29.2505   -8.0516
            13  C8x C    29.9668   -7.6422
            14  C8y C    29.9703   -6.8172
            15  C8x C    29.2576   -6.4017
            16  C8x C    28.5414   -6.8111
            17  O1a O    30.6865   -6.4078
            18  O5x O    27.1005  -10.1030
            19  O1a O    25.6848  -10.1000
            20  O2a O    24.2524   -7.6246
            21  C1y C    23.5377   -8.0368
            22  O2x O    22.8269   -7.6256
            23  C1y C    22.1122   -8.0377
            24  C1y C    22.1117   -8.8627
            25  C1y C    22.8260   -9.2756
            26  C1y C    23.5407   -8.8634
            27  C1b C    21.3979   -7.6248
            28  O1a O    21.3971   -9.2748
            29  O1a O    22.8256  -10.1006
            30  O1a O    24.2558   -9.2748
            31  O1a O    20.6832   -8.0369
BOND        34
            1    13  14 2
            2    14  15 1
            3    15  16 2
            4    16  11 1
            5     5   6 1
            6    14  17 1
            7     6   7 1
            8     7  18 2
            9     7   8 1
            10    3  19 1
            11    8   9 1
            12    1  20 1
            13    9  10 1
            14   21  20 1 #Up
            15   10   5 1
            16    9  11 1 #Down
            17    1   2 2
            18    2   3 1
            19   21  22 1
            20   22  23 1
            21   23  24 1
            22   24  25 1
            23   25  26 1
            24   26  21 1
            25    3   6 2
            26   23  27 1 #Up
            27    5   4 2
            28   24  28 1 #Down
            29    4   1 1
            30   25  29 1 #Up
            31   11  12 2
            32   26  30 1 #Down
            33   12  13 1
            34   27  31 1


entry: C09100
name: --- - Caracurine V
formula: C38H40N4O2
kcf:
ATOM        44
            1   C8x C    13.6857  -13.7073
            2   C8x C    13.6874  -14.4781
            3   C8x C    14.3586  -14.8600
            4   C8x C    14.3552  -13.3183
            5   C8y C    15.0264  -13.7043
            6   C8y C    15.0281  -14.4751
            7   N1y N    15.8098  -14.7607
            8   C1y C    16.2863  -14.1025
            9   C1z C    15.7983  -13.4454
            10  C1x C    17.6051  -12.2992
            11  C1y C    17.3029  -14.9252
            12  C1x C    17.1356  -12.8830
            13  C1y C    16.3691  -12.8010
            14  C1y C    16.9996  -14.2065
            15  C1y C    17.4461  -13.5870
            16  C2y C    18.2132  -13.5524
            17  C2x C    18.7215  -14.1254
            18  O2x O    17.9122  -15.2447
            19  C1x C    18.5878  -14.8741
            20  N1y N    16.0573  -12.1034
            21  C1x C    15.3067  -12.2176
            22  C1x C    15.0280  -12.9292
            23  C8x C    18.9393  -16.8010
            24  C8x C    18.9376  -16.0302
            25  C8x C    18.2664  -15.6400
            26  C8x C    18.2698  -17.1900
            27  C8y C    17.5986  -16.8040
            28  C8y C    17.5969  -16.0332
            29  N1y N    16.8152  -15.7476
            30  C1y C    16.3387  -16.4058
            31  C1z C    16.8267  -17.0629
            32  C1x C    15.0199  -18.2091
            33  C1y C    15.3221  -15.5832
            34  C1x C    15.4894  -17.6254
            35  C1y C    16.2559  -17.7032
            36  C1y C    15.6254  -16.2976
            37  C1y C    15.1789  -16.9171
            38  C2y C    14.4118  -16.9559
            39  C2x C    13.9035  -16.3829
            40  O2x O    14.7128  -15.2596
            41  C1x C    14.0372  -15.6259
            42  N1y N    16.5677  -18.4049
            43  C1x C    17.3183  -18.2907
            44  C1x C    17.5970  -17.5792
BOND        56
            1     8  14 1
            2    15  12 1
            3    12  13 1
            4     1   2 1
            5     2   3 2
            6    23  24 1
            7    24  25 2
            8    25  28 1
            9    27  26 1
            10   26  23 2
            11   27  28 2
            12   14  15 1
            13    7   8 1
            14   15  16 1
            15   29  30 1
            16   30  31 1
            17   31  27 1
            18   28  29 1
            19    8   9 1
            20   16  17 2
            21   33  36 1
            22    9   5 1
            23    6   7 1
            24   17  19 1
            25   30  36 1
            26   37  34 1
            27   34  35 1
            28   18  19 1
            29   11  18 1
            30   36  37 1
            31    3   6 1
            32   37  38 1
            33   13  20 1
            34   38  39 2
            35    5   4 1
            36   20  21 1
            37   39  41 1
            38   40  41 1
            39   33  40 1
            40   11  14 1
            41   35  42 1
            42   21  22 1
            43   42  43 1
            44   43  44 1
            45   32  38 1
            46   42  32 1
            47   10  16 1
            48   20  10 1
            49    4   1 2
            50    7  33 1
            51   11  29 1
            52    5   6 2
            53   13   9 1
            54    9  22 1 #Up
            55   35  31 1
            56   31  44 1 #Up


entry: C09101
name: --- - Gnididilatin
formula: C37H48O10
kcf:
ATOM        47
            1   C1z C     5.1527   -5.0643
            2   C1y C     5.8492   -5.4085
            3   C1y C     4.5465   -5.4189
            4   O2x O     5.8148   -4.6747
            5   C1y C     5.1017   -4.2927
            6   C1y C     6.5003   -4.9781
            7   C1y C     6.0176   -6.1664
            8   C1z C     4.2818   -6.1422
            9   C2x C     3.9404   -4.9402
            10  C1z C     6.4383   -2.6492
            11  C1y C     5.7492   -3.8547
            12  C1a C     4.4086   -3.9478
            13  C1z C     6.4486   -4.1996
            14  O2x O     7.1611   -5.2296
            15  C1z C     5.5286   -6.7629
            16  O2x O     6.2517   -6.8419
            17  C1y C     4.7534   -6.7560
            18  C5x C     3.5059   -6.1189
            19  O1a O     4.0630   -6.8383
            20  C2y C     3.2962   -5.3706
            21  O2x O     6.4451   -3.4245
            22  C1b C     6.4348   -1.8776
            23  O7a O     5.7424   -3.0831
            24  C2c C     7.1134   -3.8099
            25  C1b C     5.9079   -7.4311
            26  O1a O     4.7465   -7.5311
            27  O5x O     3.0238   -6.7216
            28  C1a C     2.5728   -5.1023
            29  C1b C     7.1030   -1.4914
            30  C7a C     5.0672   -2.7010
            31  C1a C     7.1099   -3.0348
            32  C2a C     7.7816   -4.1961
            33  O1a O     6.6865   -7.4311
            34  C1b C     7.7712   -1.8741
            35  C8y C     5.0569   -1.9259
            36  O7a O     4.4052   -3.0934
            37  C1b C     8.4361   -1.4845
            38  C8x C     5.7251   -1.5397
            39  C8x C     4.3879   -1.5431
            40  C1b C     9.1085   -1.8707
            41  C8x C     5.7217   -0.7680
            42  C8x C     4.3879   -0.7714
            43  C1b C     9.7733   -1.4810
            44  C8x C     5.0534   -0.3852
            45  C1b C    10.4449   -1.8638
            46  C1b C    11.1133   -1.4776
            47  C1a C    11.7815   -1.8603
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 2
            20   10  21 1
            21   10  22 1
            22   11  23 1 #Up
            23   13  24 1 #Up
            24   15  25 1 #Up
            25   17  26 1 #Up
            26   18  27 2
            27   20  28 1
            28   22  29 1
            29   23  30 1
            30   24  31 1
            31   24  32 2
            32   25  33 1
            33   29  34 1
            34   30  35 1
            35   30  36 2
            36   34  37 1
            37   35  38 2
            38   35  39 1
            39   37  40 1
            40   38  41 1
            41   39  42 2
            42   40  43 1
            43   41  44 2
            44   43  45 1
            45   45  46 1
            46   46  47 1
            47   10  14 1
            48   11  13 1
            49   13  21 1 #Down
            50   15  16 1
            51   15  17 1
            52   18  20 1
            53   42  44 1


entry: C09102
name: --- - Gniditrin
formula: C37H42O10
kcf:
ATOM        47
            1   C1z C    18.0844  -14.8124
            2   C1y C    18.7878  -15.1538
            3   C1y C    17.4395  -15.1503
            4   O2x O    18.7493  -14.3971
            5   C1y C    18.0326  -14.0365
            6   C1y C    19.4292  -14.7158
            7   C1y C    18.9568  -15.9124
            8   C1z C    17.2051  -15.8917
            9   C2x C    16.8051  -14.6986
            10  C1z C    19.3740  -12.3951
            11  C1y C    18.6844  -13.5951
            12  C1a C    17.3395  -13.6917
            13  C1z C    19.3775  -13.9434
            14  O2x O    20.0691  -14.9457
            15  C1z C    18.4637  -16.5089
            16  O2x O    19.1875  -16.5914
            17  C1y C    17.6878  -16.5020
            18  C5x C    16.4292  -15.9020
            19  O1a O    17.0766  -16.5807
            20  C2y C    16.1844  -15.1641
            21  O2x O    19.3775  -13.1676
            22  C8y C    19.3671  -11.6193
            23  O7a O    18.6326  -12.8296
            24  C2c C    20.0223  -13.5124
            25  C1b C    18.6602  -17.2538
            26  O1a O    17.6809  -17.2745
            27  O5x O    15.9844  -16.5365
            28  C1a C    15.4430  -14.9331
            29  C8x C    20.0395  -11.2262
            30  C8x C    18.6982  -11.2365
            31  C7a C    17.9602  -12.4365
            32  C1a C    20.0154  -12.7296
            33  C2a C    20.6878  -13.8986
            34  O1a O    19.4292  -17.2538
            35  C8x C    20.0361  -10.4503
            36  C8x C    18.6947  -10.4572
            37  C2b C    17.2913  -12.8262
            38  O7a O    17.9602  -11.6607
            39  C8x C    19.3602  -10.0676
            40  C2b C    16.6189  -12.4365
            41  C2b C    15.9533  -12.8262
            42  C2b C    15.2809  -12.4365
            43  C2b C    14.6154  -12.8262
            44  C2b C    13.9395  -12.4365
            45  C1b C    13.2740  -12.8262
            46  C1b C    12.6051  -12.4365
            47  C1a C    11.9361  -12.8262
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 2
            20   10  21 1
            21   10  22 1
            22   11  23 1 #Up
            23   13  24 1 #Up
            24   15  25 1 #Up
            25   17  26 1 #Up
            26   18  27 2
            27   20  28 1
            28   22  29 1
            29   22  30 2
            30   23  31 1
            31   24  32 1
            32   24  33 2
            33   25  34 1
            34   29  35 2
            35   30  36 1
            36   31  37 1
            37   31  38 2
            38   35  39 1
            39   37  40 2
            40   40  41 1
            41   41  42 2
            42   42  43 1
            43   43  44 2
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   10  14 1
            48   11  13 1
            49   13  21 1 #Down
            50   15  16 1
            51   15  17 1
            52   18  20 1
            53   36  39 2


entry: C09103
name: --- - Grayanotoxin I
formula: C22H36O7
kcf:
ATOM        29
            1   C1z C    16.4142  -15.3248
            2   C1y C    17.1861  -15.5521
            3   C1y C    16.2255  -14.5500
            4   C1x C    15.9213  -15.9590
            5   C1y C    17.7669  -14.9957
            6   O7a O    17.4286  -16.5863
            7   C1z C    15.4983  -14.2098
            8   C1x C    16.8031  -13.9919
            9   C1y C    15.1149  -15.9645
            10  C1x C    17.5751  -14.2193
            11  C7a C    17.0270  -17.2788
            12  C1y C    14.7873  -14.5590
            13  C1z C    14.6170  -15.3445
            14  O1a O    14.9252  -16.7418
            15  C1a C    17.4328  -17.9702
            16  O7a O    16.2271  -17.2831
            17  C1x C    14.0968  -14.1541
            18  C1z C    13.8175  -15.4252
            19  O1a O    14.4207  -16.1202
            20  C1y C    13.4998  -14.6890
            21  C1a C    13.0086  -15.4435
            22  O1a O    12.7185  -14.5161
            23  C1a C    13.6231  -16.2023
            24  C1x C    16.6386  -16.0928
            25  C1z C    17.9945  -15.7617
            26  C1a C    18.7768  -15.9490
            27  O1a O    18.2223  -16.5277
            28  C1a C    15.7974  -13.3331
            29  O1a O    15.3047  -13.3602
BOND        32
            1     5  10 1
            2     6  11 1
            3     7  12 1
            4     9  13 1
            5     9  14 1 #Up
            6    11  15 1
            7    11  16 2
            8    12  17 1
            9    13  18 1
            10   13  19 1 #Up
            11   17  20 1
            12   18  21 1
            13   20  22 1 #Up
            14    8  10 1
            15   12  13 1
            16   18  20 1
            17   18  23 1
            18    1   2 1
            19    1  24 1 #Up
            20    1   3 1
            21    5  25 1 #Up
            22   24  25 1
            23    1   4 1
            24   25  26 1 #Up
            25    2   5 1
            26   25  27 1 #Down
            27    2   6 1 #Down
            28    3   7 1
            29    7  28 1 #Up
            30    3   8 1
            31    7  29 1 #Down
            32    4   9 1


entry: C09104
name: --- - Hallactone A
formula: C19H22O6
kcf:
ATOM        25
            1   C1z C     4.3724  -12.0141
            2   C1y C     4.3724  -12.8335
            3   C1y C     3.6607  -11.6065
            4   C8y C     5.0815  -11.6099
            5   C1a C     4.3621  -11.1913
            6   C1z C     3.6607  -13.2453
            7   C1y C     5.0780  -13.2453
            8   C1y C     2.9516  -12.0141
            9   O2x O     2.9482  -11.1982
            10  C8y C     5.7863  -12.0210
            11  C8x C     5.0884  -10.7905
            12  C1y C     2.9516  -12.8335
            13  C1a C     3.0723  -13.8260
            14  C1x C     5.7863  -12.8404
            15  C8y C     6.5023  -11.6203
            16  C8y C     5.8001  -10.3857
            17  O1a O     2.2357  -13.2487
            18  O7x O     6.5092  -10.8009
            19  C1c C     7.2038  -12.0245
            20  O7x O     5.8070   -9.5594
            21  C1a C     7.9163  -11.6134
            22  C1a C     7.2003  -12.8473
            23  C7x C     3.8708  -14.0500
            24  O7x O     4.8542  -14.0500
            25  O7x O     3.3595  -14.7122
BOND        29
            1     1   4 1
            2     1   5 1 #Up
            3     2   6 1
            4     2   7 1
            5     3   8 1
            6     3   9 1
            7     4  10 1
            8     4  11 2
            9     6  12 1
            10    6  13 1 #Down
            11    7  14 1
            12   10  15 2
            13   11  16 1
            14   12  17 1 #Up
            15   15  18 1
            16   15  19 1
            17   16  20 2
            18   19  21 1
            19   19  22 1
            20    8   9 1
            21    8  12 1
            22   10  14 1
            23   16  18 1
            24    6  23 1
            25    1   2 1
            26    7  24 1
            27   23  24 1
            28    1   3 1
            29   23  25 2


entry: C09105
name: --- - Hallactone B
formula: C20H24O9S
kcf:
ATOM        30
            1   C1z C     5.5176  -12.1977
            2   C1y C     5.5210  -13.0198
            3   C2y C     4.8092  -11.7832
            4   O2x O     6.2293  -12.6018
            5   C1y C     6.2293  -11.7935
            6   C1y C     4.8092  -13.4206
            7   C1z C     4.1016  -12.1908
            8   C2x C     4.8161  -10.9645
            9   O7x O     6.2362  -10.9749
            10  C1d C     7.0169  -11.5797
            11  C1y C     4.1051  -13.0129
            12  C1x C     3.3898  -11.7797
            13  C1a C     4.0947  -11.3686
            14  C7x C     5.5279  -10.5603
            15  C1b C     7.0135  -10.7576
            16  C1a C     7.7280  -11.9908
            17  O1a O     7.8115  -11.3617
            18  C1z C     3.3898  -13.4206
            19  C1y C     2.6780  -12.1908
            20  O7x O     5.5348   -9.7417
            21  S4a S     7.4211  -10.0492
            22  C1y C     2.6780  -13.0129
            23  C1a C     2.6711  -13.8281
            24  O2x O     1.9628  -12.6053
            25  C1a C     7.0100   -9.3375
            26  O3c O     8.2432  -10.0492
            27  O3c O     6.6025  -10.0492
            28  O7x O     4.5917  -14.2208
            29  C7x C     3.6000  -14.2208
            30  O7x O     3.0928  -14.8831
BOND        35
            1     1   4 1 #Down
            2     1   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 2
            6     5   9 1
            7     5  10 1
            8     6  11 1
            9     7  12 1
            10    7  13 1 #Up
            11    8  14 1
            12   10  15 1
            13   10  16 1 #Up
            14   10  17 1 #Down
            15   11  18 1
            16   12  19 1
            17   14  20 2
            18   15  21 1
            19   18  22 1
            20   18  23 1 #Down
            21   19  24 1
            22   21  25 1
            23   21  26 2
            24   21  27 2
            25    2   4 1 #Down
            26    7  11 1
            27    9  14 1
            28   19  22 1
            29   22  24 1
            30    6  28 1
            31    1   2 1
            32   18  29 1
            33   29  28 1
            34    1   3 1
            35   29  30 2


entry: C09106
name: --- - Carapanaubine
formula: C23H28N2O6
kcf:
ATOM        31
            1   C1z C     5.0239  -12.3300
            2   C1y C     5.8040  -12.0506
            3   C8y C     4.2371  -12.6168
            4   C5x C     5.5316  -12.9927
            5   C1x C     4.5060  -11.6740
            6   N1y N     5.7799  -11.2154
            7   C1x C     6.5427  -12.4368
            8   C8y C     4.2612  -13.4520
            9   C8x C     3.5018  -12.2231
            10  N1x N     5.0619  -13.6865
            11  O5x O     6.1109  -13.5796
            12  C1x C     4.9757  -10.9844
            13  C1x C     6.4875  -10.7733
            14  C1y C     7.2468  -12.0024
            15  C8x C     3.5605  -13.8865
            16  C8y C     2.7907  -12.6685
            17  C1y C     7.2192  -11.1671
            18  C2y C     7.9786  -12.3920
            19  C8y C     2.8218  -13.5003
            20  O2a O     2.0591  -12.2713
            21  C1y C     7.9261  -10.7250
            22  C2x C     8.6855  -11.9575
            23  C7a C     8.0061  -13.2203
            24  O2a O     2.1142  -13.9383
            25  C1a C     1.3556  -12.7134
            26  O2x O     8.6613  -11.1257
            27  C1a C     7.8916   -9.8899
            28  O7a O     8.7372  -13.6107
            29  O7a O     7.2951  -13.6589
            30  C1a C     1.3832  -13.5486
            31  C1a C     8.7682  -14.4393
BOND        35
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 2
            15    9  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   21  27 1 #Down
            27   23  28 1
            28   23  29 2
            29   24  30 1
            30    6  12 1
            31    8  10 1
            32   14  17 1
            33   16  19 2
            34   22  26 1
            35   28  31 1


entry: C09107
name: --- - Catharanthine
formula: C21H24N2O2
kcf:
ATOM        25
            1   C1x C    15.9852  -13.1597
            2   C1z C    15.9622  -13.8243
            3   C1y C    16.5292  -13.3219
            4   C2y C    17.3856  -13.5717
            5   C2x C    17.6545  -12.9401
            6   C1y C    16.9471  -12.6989
            7   C8y C    14.0153  -13.3805
            8   N4x N    14.7412  -14.4008
            9   C8y C    14.0161  -14.1505
            10  C8x C    13.3509  -12.9875
            11  C8x C    13.3509  -14.5351
            12  C8x C    12.6836  -13.3805
            13  C8x C    12.6836  -14.1505
            14  C8y C    15.1947  -13.7721
            15  C8y C    14.7537  -13.1491
            16  C1x C    14.9704  -12.4088
            17  C1x C    15.6809  -12.1116
            18  N1y N    16.3951  -12.4457
            19  C1x C    16.9125  -11.4458
            20  C7a C    15.7374  -14.6416
            21  O7a O    16.3375  -15.2458
            22  C1a C    16.1208  -16.0708
            23  O7a O    14.9125  -14.8625
            24  C1b C    17.7684  -14.3712
            25  C1a C    18.6532  -14.4460
BOND        29
            1     6   1 1
            2     1   2 1
            3     2   3 1
            4    17  18 1
            5     3  18 1
            6     9  11 1
            7    10  12 2
            8    11  13 2
            9     8   9 1
            10   12  13 1
            11   15   7 1
            12   18  19 1 #Down
            13   14  15 2
            14   14   8 1
            15   15  16 1
            16    2  20 1 #Up
            17   14   2 1
            18   20  21 1
            19    7   9 2
            20   21  22 1
            21   16  17 1
            22   20  23 2
            23    7  10 1
            24    3   4 1
            25    4  24 1
            26    4   5 2
            27   24  25 1
            28   19   6 1
            29    5   6 1


entry: C09108
name: --- - Huratoxin
formula: C34H48O8
kcf:
ATOM        42
            1   C1z C    13.7434  -15.8040
            2   C1y C    14.4358  -16.1413
            3   C1y C    13.0552  -16.1240
            4   O2x O    14.4082  -15.4185
            5   C1y C    13.6917  -15.0365
            6   C1y C    14.6005  -16.8915
            7   C1y C    15.0723  -15.7178
            8   C1z C    12.8759  -16.8716
            9   C2x C    12.4008  -15.7212
            10  C1z C    15.0102  -13.4117
            11  C1x C    14.3358  -14.6061
            12  C1a C    13.0034  -14.6992
            13  C1z C    14.1151  -17.4805
            14  O2x O    14.8348  -17.5629
            15  C1z C    15.0206  -14.9469
            16  O2x O    15.7405  -16.0512
            17  C1y C    13.3475  -17.4805
            18  C5x C    12.1117  -16.9260
            19  O1a O    12.7516  -17.5557
            20  C2y C    11.8159  -16.2206
            21  O2x O    15.0137  -14.1793
            22  C2b C    14.9895  -12.6512
            23  C1b C    14.3116  -18.2238
            24  C2c C    15.6888  -14.5544
            25  O1a O    13.3406  -18.2411
            26  O5x O    11.7056  -17.5839
            27  C1a C    11.0725  -16.0419
            28  C2b C    15.6474  -12.2553
            29  O1a O    15.0723  -18.2238
            30  C1a C    15.6853  -13.7904
            31  C2a C    16.3460  -14.9434
            32  C2b C    15.6302  -11.4947
            33  C2b C    16.2805  -11.0885
            34  C1b C    16.2598  -10.3263
            35  C1b C    16.9246   -9.9466
            36  C1b C    17.5818  -10.3263
            37  C1b C    18.2424   -9.9417
            38  C1b C    18.9072  -10.3214
            39  C1b C    19.5678   -9.9466
            40  C1b C    20.2326  -10.3263
            41  C1b C    20.8967   -9.9402
            42  C1a C    21.5539  -10.3199
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 2
            20   10  21 1
            21   10  22 1
            22   13  23 1 #Up
            23   15  24 1 #Up
            24   17  25 1 #Up
            25   18  26 2
            26   20  27 1
            27   22  28 2
            28   23  29 1
            29   24  30 1
            30   24  31 2
            31   28  32 1
            32   32  33 2
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   10  16 1
            43   11  15 1
            44   13  14 1
            45   13  17 1
            46   15  21 1 #Down
            47   18  20 1


entry: C09109
name: --- - Hymatoxin A
formula: C20H29O7S
kcf:
ATOM        28
            1   C1y C     2.7926  -12.6302
            2   C1z C     2.7891  -11.8108
            3   C1y C     3.4974  -13.0413
            4   C1z C     2.0766  -13.0413
            5   C1z C     3.4974  -11.4025
            6   C1x C     2.0766  -11.3990
            7   C1a C     2.7822  -10.9914
            8   C2x C     4.2065  -12.6371
            9   C1x C     1.3607  -12.6302
            10  C1a C     1.3572  -13.4496
            11  C2y C     4.2065  -11.8177
            12  C1x C     3.5043  -10.5831
            13  O1a O     3.4905  -12.2184
            14  C1x C     1.3607  -11.8108
            15  C1x C     4.9182  -11.4128
            16  C1x C     4.2203  -10.1823
            17  C1z C     4.9182  -10.5934
            18  C1b C     5.6307  -10.1789
            19  C1a C     4.9182   -9.7706
            20  C1b C     6.3432  -10.5900
            21  O2a O     7.0482  -10.1789
            22  S4a S     7.7607  -10.5865
            23  O3c O     7.7572   -9.7602
            24  O3c O     7.7572  -11.4059
            25  O0  O     8.4690  -10.1789 #-
            26  C7x C     2.2917  -13.8458
            27  O7x O     3.2750  -13.8458
            28  O7x O     1.7806  -14.5083
BOND        31
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     2   7 1 #Up
            5     3   8 1
            6     4   9 1
            7     4  10 1 #Down
            8     5  11 1
            9     5  12 1
            10    5  13 1 #Down
            11    6  14 1
            12   11  15 1
            13   12  16 1
            14   15  17 1
            15   17  18 1 #Down
            16   17  19 1 #Up
            17   18  20 1
            18   20  21 1
            19   21  22 1
            20   22  23 2
            21   22  24 2
            22   22  25 1
            23    8  11 2
            24    9  14 1
            25   16  17 1
            26    4  26 1
            27    1   2 1
            28    3  27 1
            29   26  27 1
            30    1   3 1
            31   26  28 2


entry: C09110
name: --- - Ineketone
formula: C20H30O3
kcf:
ATOM        23
            1   C1z C     4.7061  -11.7595
            2   C1y C     3.9889  -12.1733
            3   C2y C     5.4199  -12.1802
            4   C1y C     4.7130  -10.9319
            5   C1a C     4.6992  -12.5871
            6   C1z C     3.9855  -13.0009
            7   C1x C     3.2717  -11.7560
            8   C5x C     5.4199  -13.0078
            9   C2x C     6.1372  -11.7698
            10  C1x C     5.4303  -10.5285
            11  O1a O     3.9992  -10.5147
            12  C1z C     3.2717  -13.4147
            13  C1x C     4.6992  -13.4181
            14  O1a O     3.9717  -13.8285
            15  C1x C     2.5510  -12.1733
            16  O5x O     6.1372  -13.4216
            17  C1z C     6.1441  -10.9457
            18  C1x C     2.5510  -13.0009
            19  C1a C     2.8475  -14.1319
            20  C1a C     3.4820  -14.2147
            21  C1a C     6.1406  -10.1147
            22  C2b C     6.8542  -10.5250
            23  C2a C     7.5733  -10.9294
BOND        25
            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 2
            8     4  10 1
            9     4  11 1 #Up
            10    6  12 1
            11    6  13 1
            12    6  14 1 #Up
            13    7  15 1
            14    8  16 2
            15    9  17 1
            16   12  18 1
            17   12  19 1
            18   12  20 1
            19   17  21 1 #Down
            20    8  13 1
            21   10  17 1
            22   15  18 1
            23   17  22 1 #Up
            24    1   2 1
            25   22  23 2


entry: C09111
name: --- - Inflexin
formula: C24H32O7
kcf:
ATOM        31
            1   C1z C     6.4819  -12.3802
            2   C1y C     5.7841  -11.9712
            3   C1x C     7.1832  -11.9816
            4   C1x C     6.4819  -13.1918
            5   C1z C     5.0751  -12.3733
            6   C1y C     5.7909  -11.1596
            7   C1y C     7.1901  -11.1734
            8   C5x C     5.7772  -13.5945
            9   C1y C     5.0717  -13.1849
            10  C1y C     4.3773  -11.9678
            11  C1a C     5.0682  -11.5582
            12  C1x C     6.4957  -10.7603
            13  O1a O     5.0889  -10.7465
            14  O5x O     5.7737  -14.4096
            15  C1z C     4.3773  -13.5945
            16  C1x C     3.6684  -12.3733
            17  O7a O     4.3704  -11.1561
            18  C1y C     3.6684  -13.1849
            19  C1a C     4.5835  -14.3751
            20  C1a C     3.9608  -14.2966
            21  C7a C     3.9608  -10.4507
            22  O7a O     2.9595  -13.5876
            23  C1a C     4.3635   -9.7529
            24  O7a O     3.1491  -10.4542
            25  C7a C     2.2651  -13.1815
            26  C1a C     1.5638  -13.5842
            27  O7a O     2.2685  -12.3698
            28  C5x C     7.1792  -12.7833
            29  C2y C     7.8875  -11.5750
            30  C2a C     8.6683  -11.3678
            31  O5x O     7.3857  -13.5643
BOND        34
            1     2   5 1
            2     2   6 1
            3     3   7 1
            4     4   8 1
            5     5   9 1
            6     5  10 1
            7     5  11 1 #Down
            8     6  12 1
            9     6  13 1 #Down
            10    8  14 2
            11    9  15 1
            12   10  16 1
            13   10  17 1 #Up
            14   15  18 1
            15   15  19 1
            16   15  20 1
            17   17  21 1
            18   18  22 1 #Up
            19   21  23 1
            20   21  24 2
            21   22  25 1
            22   25  26 1
            23   25  27 2
            24    7  12 1
            25    8   9 1
            26   16  18 1
            27    1  28 1 #Up
            28    1   2 1
            29    7  29 1 #Up
            30   28  29 1
            31    1   3 1
            32   29  30 2
            33    1   4 1
            34   28  31 2


entry: C09112
name: --- - Ingenol
formula: C20H28O5
kcf:
ATOM        25
            1   C1z C    -0.4897    0.0793
            2   C1z C    -0.6862   -0.7310
            3   C5x C     0.2552    0.4241
            4   C1y C    -0.4966    0.9103
            5   C2x C    -1.2000    0.5138
            6   C1y C    -0.1759   -1.3862
            7   C1y C    -1.5138   -0.7931
            8   O1a O    -0.9103   -1.5379
            9   C1y C     1.0035    0.0552
            10  O5x O     0.2655    1.2552
            11  C1x C    -0.0862    1.6310
            12  C1a C    -1.0862    1.5035
            13  C2y C    -1.8310   -0.0241
            14  C2y C     0.6586   -1.3897
            15  O1a O    -0.1793   -2.2103
            16  O1a O    -1.9552   -1.5138
            17  C1y C     0.9966    0.8897
            18  C2x C     1.1862   -0.7517
            19  C1y C     0.5828    1.6103
            20  C1a C    -2.6517    0.1724
            21  C1b C     1.0103   -2.1414
            22  C1z C     1.4103    1.6172
            23  O1a O     1.8345   -2.1414
            24  C1a C     2.2379    1.6172
            25  C1a C     1.8207    2.3414
BOND        28
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     9   3 1 #Down
            9     3  10 2
            10    4  11 1
            11    4  12 1 #Down
            12    5  13 2
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1 #Up
            16    9  17 1
            17    9  18 1
            18   11  19 1
            19   13  20 1
            20   14  21 1
            21   17  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25    7  13 1
            26   14  18 2
            27   17  19 1
            28   19  22 1


entry: C09113
name: --- - Ingenol 3,20-dibenzoate
formula: C34H36O7
kcf:
ATOM        41
            1   C1z C    15.5357  -14.9578
            2   C1z C    15.3460  -15.7620
            3   C5x C    16.2880  -14.5984
            4   C1y C    15.5322  -14.1191
            5   C2x C    14.8246  -14.5191
            6   C1y C    14.5142  -15.8309
            7   C1y C    15.8495  -16.4171
            8   O1a O    15.2107  -16.5027
            9   C1y C    17.0371  -14.9716
            10  O5x O    16.2949  -13.8465
            11  C1x C    15.9467  -13.3943
            12  C1a C    14.9349  -13.5253
            13  C2y C    14.1893  -15.0612
            14  O7a O    14.5073  -16.6626
            15  C2y C    16.6846  -16.4206
            16  O1a O    15.8426  -17.2454
            17  C1y C    17.0302  -14.1363
            18  C2x C    17.2164  -15.7861
            19  C1y C    16.6053  -13.4115
            20  C1a C    13.3818  -14.8605
            21  C7a C    13.7824  -17.0695
            22  C1b C    17.4026  -16.8419
            23  C1z C    17.4405  -13.4046
            24  C8y C    13.0645  -16.6592
            25  O7a O    13.7790  -17.9047
            26  O7a O    18.1240  -16.4206
            27  C1a C    17.8551  -12.6797
            28  C1a C    18.2723  -13.4046
            29  C7a C    18.8454  -16.8419
            30  C8y C    19.5634  -16.4206
            31  O7a O    18.8385  -17.6737
            32  C8x C    13.0651  -15.8327
            33  C8x C    12.3471  -15.4183
            34  C8x C    11.6307  -15.8354
            35  C8x C    11.6323  -16.6629
            36  C8x C    12.3502  -17.0732
            37  C8x C    20.2815  -16.8330
            38  C8x C    20.9995  -16.4117
            39  C8x C    20.9951  -15.5807
            40  C8x C    20.2727  -15.1712
            41  C8x C    19.5548  -15.5884
BOND        46
            1     4  11 1
            2     4  12 1 #Down
            3     5  13 2
            4     6  14 1 #Up
            5     7  15 1
            6     7  16 1 #Up
            7     9  17 1
            8     9  18 1
            9    11  19 1
            10   13  20 1
            11   14  21 1
            12   15  22 1
            13   17  23 1
            14   21  24 1
            15   21  25 2
            16   22  26 1
            17   23  27 1
            18   23  28 1
            19   26  29 1
            20   29  30 1
            21   29  31 2
            22    6  13 1
            23   15  18 2
            24   17  19 1
            25   19  23 1
            26    1   2 1
            27    1   3 1 #Down
            28    1   4 1
            29    1   5 1
            30   24  32 2
            31   32  33 1
            32   33  34 2
            33   34  35 1
            34   35  36 2
            35   36  24 1
            36    2   6 1
            37    2   7 1
            38    2   8 1 #Up
            39    9   3 1 #Down
            40    3  10 2
            41   30  37 2
            42   37  38 1
            43   38  39 2
            44   39  40 1
            45   40  41 2
            46   41  30 1


entry: C09114
name: --- - Inumakilactone A glycoside
formula: C24H30O13
kcf:
ATOM        37
            1   C1z C    10.2126   -8.5434
            2   C1y C    10.2161   -9.3641
            3   C2y C     9.5057   -8.1262
            4   O2x O    10.9230   -8.9469
            5   C1y C    10.9299   -8.1400
            6   C1y C     9.4954   -9.7779
            7   C1z C     8.7885   -8.5365
            8   C2x C     9.5092   -7.3055
            9   C1c C    11.6402   -8.5503
            10  O7x O    10.9367   -7.3158
            11  C1y C     8.7850   -9.3607
            12  O7x O     9.2747  -10.5710
            13  C1y C     8.0712   -8.1262
            14  C1a C     8.7816   -7.7124
            15  C7x C    10.2264   -6.8986
            16  O2a O    12.3505   -8.1365
            17  C1a C    11.6333   -9.3745
            18  C1z C     8.0747   -9.7745
            19  C7x C     8.2850  -10.5710
            20  C1y C     7.3609   -8.5365
            21  O2x O     7.3574   -7.7158
            22  O7x O    10.2333   -6.0745
            23  C1y C    13.0643   -8.5503
            24  C1y C     7.3609   -9.3607
            25  C1a C     7.6540  -10.4883
            26  O7x O     7.7816  -11.2227
            27  O2x O    13.0609   -9.3745
            28  C1y C    13.7816   -8.1400
            29  O1a O     6.6471   -9.7745
            30  C1y C    13.7712   -9.7917
            31  C1y C    14.4919   -8.5572
            32  O1a O    13.7850   -7.3158
            33  C1y C    14.4885   -9.3814
            34  C1b C    13.7678  -10.6158
            35  O1a O    15.2092   -8.1469
            36  O1a O    15.2023   -9.7986
            37  O1a O    14.4747  -11.0227
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Up
            14    8  15 1
            15    9  16 1
            16    9  17 1 #Up
            17   11  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 1
            21   15  22 2
            22   23  16 1 #Up
            23   18  24 1
            24   18  25 1 #Down
            25   19  26 2
            26   23  27 1
            27   23  28 1
            28   24  29 1 #Up
            29   27  30 1
            30   28  31 1
            31   28  32 1 #Down
            32   30  33 1
            33   30  34 1 #Up
            34   31  35 1 #Up
            35   33  36 1 #Down
            36   34  37 1
            37    2   4 1 #Down
            38    7  11 1
            39   10  15 1
            40   18  19 1
            41   20  21 1
            42   20  24 1
            43   31  33 1


entry: C09115
name: --- - Isodomedin
formula: C22H32O6
kcf:
ATOM        28
            1   C1z C     6.4792  -11.9772
            2   C1y C     5.7883  -11.5717
            3   C1y C     7.1846  -11.5855
            4   C1y C     6.4792  -12.7853
            5   C1z C     5.0828  -11.9703
            6   C1x C     5.7951  -10.7669
            7   C1y C     7.1915  -10.7773
            8   O1a O     7.8790  -11.9841
            9   C1x C     5.7814  -13.1915
            10  O1a O     7.1777  -13.1915
            11  C1y C     5.0793  -12.7784
            12  C1y C     4.3884  -11.5717
            13  C1a C     5.0759  -11.1621
            14  C1x C     6.4930  -10.3642
            15  C1z C     4.3884  -13.1880
            16  C1x C     3.6829  -11.9703
            17  O1a O     4.3815  -10.7635
            18  C1y C     3.6829  -12.7784
            19  C1a C     3.9719  -13.8824
            20  C1a C     4.5945  -13.9652
            21  O7a O     2.9885  -13.1880
            22  C7a C     2.2796  -12.7784
            23  C1a C     1.5852  -13.1880
            24  O7a O     2.2762  -11.9703
            25  C5x C     7.1833  -12.3833
            26  C2y C     7.8875  -11.1792
            27  O5x O     7.7542  -12.9583
            28  C2a C     8.7000  -11.1792
BOND        31
            1     2   5 1
            2     2   6 1
            3     3   7 1
            4     3   8 1 #Up
            5     4   9 1
            6     4  10 1 #Down
            7     5  11 1
            8     5  12 1
            9     5  13 1 #Down
            10    6  14 1
            11   11  15 1
            12   12  16 1
            13   12  17 1 #Down
            14   15  18 1
            15   15  19 1
            16   15  20 1
            17   18  21 1 #Up
            18   21  22 1
            19   22  23 1
            20   22  24 2
            21    7  14 1
            22    9  11 1
            23   16  18 1
            24    1  25 1 #Up
            25    1   2 1
            26    7  26 1 #Up
            27   25  26 1
            28    1   3 1
            29   25  27 2
            30    1   4 1
            31   26  28 2


entry: C09116
name: --- - Archangelicin
formula: C24H26O7
kcf:
ATOM        31
            1   C7a C     3.0896  -13.8286
            2   O7a O     3.8124  -13.4620
            3   C2c C     2.3876  -13.4245
            4   O7a O     3.0896  -14.6370
            5   C2b C     1.6857  -13.8286
            6   C1a C     1.6857  -14.6370
            7   C1a C     2.3876  -12.6161
            8   O7a O     5.4458  -13.2542
            9   C7a C     6.1478  -12.8500
            10  C2c C     6.8456  -13.2542
            11  C1d C     3.8057  -12.6026
            12  C1a C     3.1162  -12.9318
            13  C8x C     4.8125   -9.9416
            14  C8x C     5.5413   -9.5250
            15  C8y C     6.2615   -9.9416
            16  C8y C     6.2580  -10.7792
            17  O7x O     6.9832  -11.1989
            18  C8y C     7.7161  -10.7853
            19  C8x C     7.7196   -9.9477
            20  C8x C     6.9944   -9.5281
            21  C8y C     5.5413  -11.1959
            22  C8y C     4.8168  -10.7772
            23  O2x O     4.1942  -11.3345
            24  C1y C     4.5350  -12.1007
            25  C1y C     5.3628  -12.0176
            26  O7x O     8.4413  -11.2050
            27  O7a O     6.1352  -12.0145
            28  C1a C     3.2415  -12.0746
            29  C1a C     7.5476  -12.8500
            30  C2b C     6.8456  -14.0625
            31  C1a C     6.1478  -14.4667
BOND        33
            1     1   2 1
            2     3   7 1
            3     1   4 2
            4     8   9 2
            5     3   5 2
            6    11   2 1
            7    24  11 1
            8    17  18 1
            9    18  19 1
            10   25  27 1 #Up
            11   19  20 2
            12   27   9 1
            13   20  15 1
            14   13  22 1
            15   21  16 1
            16   15  14 1
            17   14  13 2
            18   21  22 2
            19   22  23 1
            20   23  24 1
            21   24  25 1
            22   25  21 1
            23   15  16 2
            24   18  26 2
            25   16  17 1
            26    9  10 1
            27   11  28 1
            28    1   3 1
            29   10  29 1
            30    5   6 1
            31   10  30 2
            32   11  12 1
            33   30  31 1


entry: C09117
name: --- - Isodonal
formula: C22H28O7
kcf:
ATOM        29
            1   C1z C    13.4178  -11.4150
            2   C1y C    14.1296  -11.0004
            3   C1y C    12.6991  -11.0004
            4   C1y C    13.4178  -12.2516
            5   C1z C    14.1331  -10.1672
            6   C1y C    14.8525  -11.4184
            7   O7x O    12.6991  -10.1672
            8   C1x C    11.9728  -11.4184
            9   C1z C    12.6991  -12.6703
            10  C4a C    14.1365  -12.6668
            11  C1x C    14.8594   -9.7520
            12  C7x C    13.4178   -9.7486
            13  C5x C    14.3517   -9.3582
            14  C1x C    15.5753  -11.0039
            15  O1a O    14.8517  -11.9628
            16  C1x C    11.9763  -12.2516
            17  C1a C    13.1068  -13.3820
            18  C1a C    12.2736  -13.3820
            19  O4a O    14.1331  -13.5000
            20  C1y C    15.5788  -10.1707
            21  O7x O    13.4109   -8.9154
            22  C2y C    15.3573   -9.3616
            23  O5x O    13.9608   -8.6940
            24  C2a C    15.8615   -8.6974
            25  C1b C    14.1375  -11.7917
            26  O7a O    14.5583  -12.5542
            27  C7a C    15.3917  -12.5542
            28  C1a C    15.8083  -13.2792
            29  O7a O    15.8457  -11.8771
BOND        32
            1     2   6 1
            2     3   7 1
            3     3   8 1
            4     4   9 1
            5     4  10 1 #Down
            6     5  11 1
            7     5  12 1
            8     5  13 1 #Down
            9     6  14 1
            10    6  15 1 #Down
            11    8  16 1
            12    9  17 1
            13    9  18 1
            14   10  19 2
            15   11  20 1
            16   12  21 2
            17   13  22 1
            18   13  23 2
            19   22  24 2
            20    7  12 1
            21    9  16 1
            22   14  20 1
            23   20  22 1 #Down
            24    1  25 1 #Down
            25    1   2 1
            26   25  26 1
            27    1   3 1
            28   26  27 1
            29    1   4 1
            30   27  28 1
            31    2   5 1
            32   27  29 2


entry: C09118
name: --- - Isopimaric acid
formula: C20H30O2
kcf:
ATOM        22
            1   C1y C     3.5124  -12.5191
            2   C1z C     3.5158  -11.6880
            3   C1z C     2.7986  -12.9363
            4   C1x C     4.2227  -12.9398
            5   C1y C     4.2331  -11.2811
            6   C1x C     2.7986  -11.2777
            7   C1a C     3.5089  -10.8605
            8   C1x C     2.0779  -12.5225
            9   C2x C     4.9434  -12.5294
            10  C2y C     4.9434  -11.7018
            11  C1x C     4.2365  -10.4536
            12  C1x C     2.0779  -11.6880
            13  C1x C     5.6641  -11.2915
            14  C1x C     4.9572  -10.0432
            15  C1z C     5.6710  -10.4639
            16  C1a C     5.6676   -9.6363
            17  C1a C     3.0083  -13.7292
            18  C6a C     2.5792  -13.7292
            19  O6a O     2.7917  -14.5250
            20  O6a O     1.7542  -13.7254
            21  C2b C     6.3833  -10.0458
            22  C2a C     7.1007  -10.4532
BOND        24
            1     2   6 1
            2     2   7 1 #Up
            3     3   8 1
            4     4   9 1
            5     5  10 1
            6     5  11 1
            7     6  12 1
            8    10  13 1
            9    11  14 1
            10   13  15 1
            11   15  16 1 #Up
            12    8  12 1
            13    9  10 2
            14   14  15 1
            15    3  17 1 #Up
            16    1   2 1
            17    3  18 1 #Down
            18    1   3 1
            19   18  19 1
            20    1   4 1
            21   18  20 2
            22   15  21 1 #Down
            23    2   5 1
            24   21  22 2


entry: C09119
name: --- - Jatrophatrione
formula: C20H26O3
kcf:
ATOM        23
            1   C1z C     0.4034    0.6862
            2   C1y C     0.9897    0.1069
            3   C5x C    -0.4310    0.6931
            4   C5x C     0.7690    1.4207
            5   C1a C    -0.1931    1.2828
            6   C1z C     1.7138    0.4897
            7   C1x C     1.2000   -0.6931
            8   C1y C    -1.0172    0.1103
            9   O5x O    -0.7483    1.4586
            10  C1x C     1.5793    1.3000
            11  O5x O     0.3897    2.1586
            12  C1a C     2.5138    0.7069
            13  C1a C     2.1241   -0.2241
            14  C5x C     0.7793   -1.4034
            15  C2y C    -1.2276   -0.6828
            16  C1x C    -1.7069    0.5586
            17  C2y C    -0.0241   -1.6207
            18  O5x O     1.2828   -2.0655
            19  C2x C    -2.0517   -0.7276
            20  C2x C    -0.8241   -1.4034
            21  C1y C    -2.3448    0.0414
            22  C1a C    -0.0241   -2.4483
            23  C1a C    -3.1448    0.2586
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 2
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   21  23 1 #Down
            23    6  10 1
            24   17  20 2
            25   19  21 1


entry: C09120
name: --- - Jatrophone
formula: C20H24O3
kcf:
ATOM        23
            1   C1z C     3.9010   -3.9706
            2   C1x C     3.1876   -3.5605
            3   C1y C     2.5771   -4.1123
            4   C2x C     2.9133   -4.8633
            5   C2y C     3.7314   -4.7758
            6   O2x O     4.6677   -4.2839
            7   C2y C     5.2016   -3.6549
            8   C2y C     4.7658   -2.9514
            9   C5x C     3.9623   -3.1493
            10  C1a C     5.0774   -2.1875
            11  O5x O     3.3323   -2.6166
            12  C2x C     3.5125   -5.5708
            13  C2y C     4.0958   -6.1542
            14  C5x C     4.9208   -6.1542
            15  C2x C     5.3292   -5.4375
            16  C1x C     6.0250   -3.6542
            17  O5x O     5.3354   -6.8675
            18  C1a C     3.8792   -6.9500
            19  C1z C     6.4333   -4.3667
            20  C2x C     6.2167   -5.1625
            21  C1a C     7.2292   -4.5792
            22  C1a C     7.0167   -3.7792
            23  C1a C     1.7750   -3.8917
BOND        25
            1     9  11 2
            2     5  12 1
            3     1   2 1
            4    12  13 2
            5     2   3 1
            6    13  14 1
            7     3   4 1
            8    14  15 1
            9     6   7 1
            10    7  16 1
            11    7   8 2
            12   14  17 2
            13    8   9 1
            14   13  18 1
            15    9   1 1
            16   16  19 1
            17    1   6 1 #Up
            18   19  20 1
            19   15  20 2
            20    4   5 2
            21   19  21 1
            22    8  10 1
            23   19  22 1
            24    5   1 1
            25    3  23 1 #Down


entry: C09121
name: --- - Jodrellin A
formula: C22H30O6
kcf:
ATOM        28
            1   C1z C     4.0208  -13.3750
            2   C1x C     3.6042  -14.0875
            3   O2x O     4.4323  -14.0884
            4   C1z C     4.7182  -12.9717
            5   C1y C     4.7217  -12.1648
            6   C1y C     4.7079  -13.7786
            7   C1x C     5.4148  -13.3786
            8   C1x C     3.3217  -12.9717
            9   C1z C     5.4217  -11.7648
            10  C1x C     4.0217  -11.7613
            11  O2x O     4.0182  -12.5682
            12  O7a O     5.1148  -14.4717
            13  C1x C     6.1182  -12.9786
            14  C1y C     3.3217  -12.1648
            15  C1y C     5.4251  -10.9544
            16  C1y C     6.1217  -12.1717
            17  C1a C     6.1182  -11.3510
            18  C7a C     4.7148  -15.1717
            19  C1x C     6.0837  -10.4855
            20  O2x O     4.7768  -10.4751
            21  C1a C     6.8251  -11.7682
            22  C1a C     5.1182  -15.8717
            23  O7a O     3.9044  -15.1751
            24  C1y C     5.8355   -9.7061
            25  C1y C     5.0251   -9.7061
            26  C2x C     6.0906   -8.9337
            27  O2x O     4.7768   -8.9337
            28  C2x C     5.4320   -8.4579
BOND        33
            1     1   2 1 #Up
            2     1   3 1 #Down
            3     3   2 1
            4     4   1 1
            5     4   5 1
            6     4   6 1 #Down
            7     4   7 1
            8     1   8 1
            9     5   9 1
            10    5  10 1
            11    6  11 1
            12    6  12 1
            13    7  13 1
            14    8  14 1
            15    9  15 1
            16    9  16 1
            17    9  17 1 #Down
            18   12  18 1
            19   15  19 1
            20   15  20 1
            21   16  21 1 #Down
            22   18  22 1
            23   18  23 2
            24   19  24 1
            25   20  25 1
            26   24  26 1
            27   25  27 1
            28   26  28 2
            29   10  14 1
            30   14  11 1 #Down
            31   13  16 1
            32   24  25 1
            33   27  28 1


entry: C09122
name: --- - Kansuinine B
formula: C38H42O14
kcf:
ATOM        52
            1   C1z C    -0.2241    0.9552
            2   C1y C    -0.7103    0.2966
            3   C1y C    -0.6931    1.6207
            4   C5x C     0.4000    1.4241
            5   O7a O    -0.2345    1.7793
            6   C1y C    -0.5000   -0.5000
            7   C1y C    -1.4828    0.5621
            8   C1z C    -1.4724    1.3759
            9   O1a O    -1.2793    2.2034
            10  C1y C     0.1828    2.2207
            11  O5x O     1.1069    1.0138
            12  C7a C    -0.4414    2.5690
            13  C2y C     0.0517   -1.1069
            14  O7a O    -1.2138   -0.9034
            15  O7a O    -2.1517    0.0897
            16  C1a C    -2.1862    0.9759
            17  O1a O    -2.1862    1.7897
            18  C1y C     0.8931    2.6379
            19  C1a C     0.1793    3.0414
            20  C1a C    -1.2345    2.7793
            21  O7a O    -0.4448    3.3897
            22  C1y C     0.8690   -1.0621
            23  C2a C     0.0448   -1.9310
            24  C7a C    -1.2241   -1.7310
            25  C7a C    -2.8621    0.5000
            26  C1y C     1.5035    1.9345
            27  O2x O     1.8035    2.8207
            28  C1y C     1.3414   -0.3897
            29  O7a O     1.2759   -1.7655
            30  C8y C    -1.9448   -2.1345
            31  O7a O    -0.5138   -2.1483
            32  C1a C    -3.5759    0.0897
            33  O7a O    -2.8621    1.3207
            34  C1z C     1.5069    1.1138
            35  C5x C     1.1069    0.4000
            36  O1a O     2.1276   -0.6000
            37  C7a C     1.9828   -2.1759
            38  C8x C    -2.6621   -1.7207
            39  C8x C    -1.9414   -2.9621
            40  C1a C     2.3276    1.1138
            41  C1a C     2.0931    0.5345
            42  O5x O     0.3069    0.1862
            43  C8y C     2.6897   -1.7586
            44  O7a O     1.9793   -2.9966
            45  C8x C    -3.3759   -2.1379
            46  C8x C    -2.6586   -3.3759
            47  C8x C     3.4034   -2.1724
            48  C8x C     2.6897   -0.9379
            49  C8x C    -3.3759   -2.9621
            50  C8x C     4.1172   -1.7621
            51  C8x C     3.4034   -0.5241
            52  C8x C     4.1172   -0.9379
BOND        56
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1 #Up
            15    8  16 1 #Up
            16    8  17 1 #Down
            17   10  18 1
            18   10  19 1 #Up
            19   12  20 1
            20   12  21 2
            21   13  22 1
            22   13  23 2
            23   14  24 1
            24   15  25 1
            25   18  26 1
            26   18  27 1
            27   22  28 1
            28   22  29 1 #Up
            29   24  30 1
            30   24  31 2
            31   25  32 1
            32   25  33 2
            33   26  34 1
            34   28  35 1
            35   28  36 1 #Down
            36   29  37 1
            37   30  38 2
            38   30  39 1
            39   34  40 1
            40   34  41 1
            41   35  42 2
            42   37  43 1
            43   37  44 2
            44   38  45 1
            45   39  46 2
            46   43  47 1
            47   43  48 2
            48   45  49 2
            49   47  50 2
            50   48  51 1
            51   50  52 1
            52    7   8 1
            53   26  27 1
            54   34  35 1
            55   46  49 1
            56   51  52 2


entry: C09123
name: --- - Athamantin
formula: C24H30O7
kcf:
ATOM        31
            1   C7a C     6.1772  -13.1667
            2   C1b C     6.8875  -13.5750
            3   O7a O     6.1772  -12.3459
            4   O7a O     5.4669  -13.5750
            5   C1c C     7.6019  -13.1667
            6   C1a C     8.3122  -13.5750
            7   C1a C     7.6019  -12.3459
            8   C7a C     3.0875  -13.7959
            9   O7a O     3.9436  -13.3459
            10  C1b C     2.3981  -13.3917
            11  O7a O     3.0875  -14.5958
            12  C1c C     1.7044  -13.7959
            13  C1a C     1.0149  -13.3917
            14  C1a C     1.7044  -14.5958
            15  C8x C     4.9500   -9.8667
            16  C8x C     5.6745   -9.4416
            17  C8y C     6.3907   -9.8667
            18  C8y C     6.3872  -10.7000
            19  O7x O     7.1166  -11.1197
            20  C8y C     7.8328  -10.7061
            21  C8x C     7.8363   -9.8728
            22  C8x C     7.1195   -9.4447
            23  C8y C     5.6745  -11.1167
            24  C8y C     4.9543  -10.6980
            25  O2x O     4.3316  -11.2512
            26  C1y C     4.6641  -12.0090
            27  C1y C     5.5003  -11.9301
            28  O7x O     8.5538  -11.1258
            29  C1d C     3.9407  -12.5137
            30  C1a C     3.4416  -11.8069
            31  C1a C     3.2301  -12.5152
BOND        33
            1     5   6 1
            2     1   2 1
            3     5   7 1
            4     1   4 2
            5    12  13 1
            6     8   9 1
            7    12  14 1
            8     8  11 2
            9    18  19 1
            10   27   3 1 #Up
            11   19  20 1
            12   20  21 1
            13   21  22 2
            14   22  17 1
            15   15  24 1
            16   23  18 1
            17   17  16 1
            18   26  29 1
            19   16  15 2
            20   23  24 2
            21   24  25 1
            22   25  26 1
            23   26  27 1
            24   27  23 1
            25   17  18 2
            26   20  28 2
            27   29   9 1
            28   10  12 1
            29    8  10 1
            30    2   5 1
            31   29  30 1
            32    1   3 1
            33   29  31 1


entry: C09124
name: --- - 2-Ketoepimanool
formula: C20H32O2
kcf:
ATOM        22
            1   C1z C    -0.6103   -0.0931
            2   C1y C    -0.6138   -0.9241
            3   C1y C     0.1103    0.3207
            4   C1x C    -1.3276    0.3207
            5   C1a C    -0.6172    0.7345
            6   C1z C    -1.3276   -1.3379
            7   C1x C     0.1034   -1.3379
            8   C2y C     0.8241   -0.1034
            9   C1b C     0.1172    1.1448
            10  C5x C    -2.0483   -0.0931
            11  C1x C    -2.0483   -0.9241
            12  C1a C    -1.1172   -2.1379
            13  C1a C    -1.7517   -2.0517
            14  C1x C     0.8241   -0.9310
            15  C2a C     1.5379    0.3103
            16  C1b C     0.8379    1.5517
            17  O5x O    -2.7655    0.3207
            18  C1d C     1.5448    1.1345
            19  C2b C     2.2655    1.5345
            20  C1a C     2.2621    0.7172
            21  O1a O     0.8276    0.7207
            22  C2a C     2.9759    1.1172
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 2
            15    9  16 1
            16   10  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1 #Down
            20   18  21 1 #Up
            21   19  22 2
            22    8  14 1
            23   10  11 1


entry: C09125
name: --- - Lathyrol
formula: C20H30O4
kcf:
ATOM        24
            1   C1y C    -1.0448   -0.5276
            2   C1z C    -1.0035    0.3103
            3   C1y C    -1.8586   -0.7448
            4   C1y C    -0.5276   -1.1931
            5   C5x C    -0.5517    0.7931
            6   C1x C    -1.7862    0.6138
            7   O1a O    -1.6035    0.9138
            8   C1y C    -2.3138   -0.0414
            9   O1a O    -2.1621   -1.5310
            10  C2y C     0.3172   -1.2000
            11  O1a O    -0.3103   -2.0035
            12  C2y C     0.2897    0.7793
            13  O5x O    -0.9034    1.5621
            14  C1a C    -3.1552    0.0069
            15  C1x C     0.8517   -0.5517
            16  C2a C     0.6724   -1.9621
            17  C2x C     0.8069    0.2828
            18  C1a C     0.6690    1.5345
            19  C1x C     1.6586   -0.7690
            20  C1y C     1.5897    0.5828
            21  C1y C     2.1138   -0.0655
            22  C1z C     2.4103    0.7207
            23  C1a C     2.6241    1.5379
            24  C1a C     3.2172    0.9448
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    4  11 1 #Up
            11    5  12 1
            12    5  13 2
            13    8  14 1 #Up
            14   10  15 1
            15   10  16 2
            16   12  17 2
            17   12  18 1
            18   15  19 1
            19   17  20 1
            20   19  21 1
            21   20  22 1
            22   22  23 1
            23   22  24 1
            24    6   8 1
            25   20  21 1
            26   21  22 1


entry: C09126
name: --- - Genistein 7-O-beta-D-glucoside - Genistin
formula: C21H20O10
kcf:
ATOM        31
            1   C8y C     0.7586   -0.1517
            2   C8y C     0.7586    0.6828
            3   C8x C     0.0379   -0.5759
            4   O2x O     1.4897   -0.5690
            5   C8y C     1.4793    1.1069
            6   C8y C     0.0379    1.0966
            7   C8y C    -0.6828   -0.1517
            8   C8x C     2.2207   -0.1552
            9   C8y C     2.2069    0.6897
            10  O5x O     1.4759    1.9310
            11  C8x C    -0.6828    0.6828
            12  O1a O     0.0345    1.9276
            13  O2a O    -1.3966   -0.5621
            14  C8y C     2.9241    1.1035
            15  C1y C    -2.1138   -0.9690
            16  C8x C     3.6414    0.6931
            17  C8x C     2.9207    1.9241
            18  O2x O    -2.8345   -0.5621
            19  C1y C    -2.1138   -1.7966
            20  C8x C     4.3552    1.1069
            21  C8x C     3.6276    2.3448
            22  C1y C    -3.5483   -0.9690
            23  C1y C    -2.8345   -2.2103
            24  O1a O    -1.3966   -2.2103
            25  C8y C     4.3483    1.9345
            26  C1y C    -3.5483   -1.8000
            27  C1b C    -4.2552   -0.5621
            28  O1a O    -2.8345   -3.0345
            29  O1a O     5.0655    2.3517
            30  O1a O    -4.2552   -2.2103
            31  O1a O    -4.8897   -1.0931
BOND        34
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   15  13 1 #Up
            15   14  16 2
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   17  21 2
            21   18  22 1
            22   19  23 1
            23   19  24 1 #Down
            24   20  25 2
            25   22  26 1
            26   22  27 1 #Up
            27   23  28 1 #Up
            28   25  29 1
            29   26  30 1 #Down
            30   27  31 1
            31    7  11 2
            32    8   9 2
            33   21  25 1
            34   23  26 1


entry: C09127
name: --- - Mancinellin
formula: C36H52O8
kcf:
ATOM        44
            1   C2b C     2.4500   -9.3917
            2   C2b C     3.1706   -9.8020
            3   C2b C     3.8801   -9.3951
            4   C2b C     4.5965   -9.8096
            5   C2b C     5.3170   -9.3986
            6   C2b C     6.0375   -9.8130
            7   C1b C     6.7505   -9.3986
            8   C1b C     7.4710   -9.8164
            9   C1b C     8.1915   -9.4061
            10  C1b C     8.9044   -9.8199
            11  C1b C     9.6250   -9.4096
            12  C1b C    10.3380   -9.8199
            13  C1b C    11.0585   -9.4130
            14  C1b C    11.7790   -9.8275
            15  C1a C    12.4920   -9.4164
            16  C1y C     1.2113  -12.0674
            17  C1y C     0.5164  -12.5212
            18  C1z C     1.1464  -11.2357
            19  C1z C     1.9105  -11.5921
            20  C1y C     0.7001  -13.3427
            21  C1z C    -0.2290  -12.1613
            22  C1x C     0.4044  -10.8647
            23  O7a O     1.7447  -10.6374
            24  C1a C     2.6234  -11.1741
            25  C1a C     2.7064  -11.8083
            26  C1z C     0.1703  -13.9803
            27  O2x O     0.9883  -14.1137
            28  C1y C    -0.9461  -12.5178
            29  C1y C    -0.2871  -11.3254
            30  O1a O    -0.2366  -12.9897
            31  C1y C    -0.6615  -13.9768
            32  C1b C     0.3831  -14.7872
            33  C1z C    -1.1693  -13.3212
            34  C2x C    -1.6376  -12.0605
            35  C1a C    -1.0324  -10.9655
            36  O1a O    -0.6650  -14.8017
            37  C5x C    -2.0052  -13.3572
            38  O1a O    -1.3966  -14.1171
            39  C2y C    -2.2898  -12.5717
            40  O5x O    -2.4591  -14.0487
            41  C1a C    -3.0891  -12.3520
            42  C7a C     1.7375   -9.8083
            43  O7a O     1.0201   -9.4009
            44  O1a O     1.0917  -15.1958
BOND        48
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 1
            6     8   9 1
            7     9  10 1
            8    10  11 1
            9    11  12 1
            10   12  13 1
            11   13  14 1
            12   14  15 1
            13   16  17 1
            14   16  18 1
            15   16  19 1
            16   17  20 1
            17   17  21 1
            18   18  22 1
            19   18  23 1 #Down
            20   19  24 1
            21   19  25 1
            22   20  26 1
            23   20  27 1
            24   21  28 1
            25   21  29 1
            26   21  30 1 #Down
            27   26  31 1
            28   26  32 1 #Up
            29   28  33 1
            30   28  34 1
            31   29  35 1 #Down
            32   31  36 1 #Up
            33   33  37 1
            34   33  38 1 #Up
            35   34  39 2
            36   37  40 2
            37   39  41 1
            38   18  19 1
            39   22  29 1
            40   26  27 1
            41   31  33 1
            42   37  39 1
            43   23  42 1
            44   42   1 1
            45    1   2 2
            46   42  43 2
            47    2   3 1
            48   32  44 1


entry: C09128
name: --- - Marrubiin
formula: C20H28O4
kcf:
ATOM        24
            1   C1z C    15.2973  -13.9635
            2   C1y C    15.3008  -14.7829
            3   C1z C    16.0133  -13.5517
            4   C1x C    14.5848  -13.5517
            5   C1a C    15.2904  -13.1406
            6   C1y C    16.0133  -15.1905
            7   C1z C    14.5848  -15.1905
            8   C1y C    16.7147  -13.9704
            9   C1b C    16.0201  -12.7358
            10  O1a O    16.7974  -13.3379
            11  C1x C    13.8764  -13.9635
            12  C1x C    16.7147  -14.7898
            13  C1x C    13.8764  -14.7829
            14  C1a C    13.9971  -15.7712
            15  C1a C    17.5306  -13.9669
            16  C1b C    16.7252  -12.3250
            17  C8y C    16.6896  -11.5026
            18  C8x C    15.9499  -11.1754
            19  C8x C    17.2330  -10.8981
            20  C8x C    16.0325  -10.3627
            21  O2x O    16.8304  -10.1958
            22  O7x O    15.7917  -15.9958
            23  C7x C    14.8000  -15.9958
            24  O7x O    14.2889  -16.6624
BOND        27
            1     1   4 1
            2     1   5 1 #Up
            3     2   6 1
            4     2   7 1
            5     3   8 1
            6     3   9 1 #Up
            7     3  10 1 #Down
            8     4  11 1
            9     6  12 1
            10    7  13 1
            11    7  14 1 #Down
            12    8  15 1 #Down
            13    9  16 1
            14   16  17 1
            15   17  18 1
            16   17  19 2
            17   18  20 2
            18   19  21 1
            19    8  12 1
            20   11  13 1
            21   20  21 1
            22    6  22 1
            23    1   2 1
            24    7  23 1
            25   23  22 1
            26    1   3 1
            27   23  24 2


entry: C09129
name: --- - Catharine
formula: C46H54N4O10
kcf:
ATOM        60
            1   C7a C     2.2500  -12.4041
            2   O7a O     1.4417  -12.4041
            3   C1a C     1.0334  -13.1041
            4   C8x C    -0.4315  -10.7943
            5   C8x C    -0.4493  -11.5565
            6   C8x C     0.2076  -11.9553
            7   C8x C     0.2435  -10.4224
            8   C8y C     0.8963  -10.8253
            9   C8y C     0.8785  -11.5876
            10  C1z C     2.8283  -11.1298
            11  C1x C     1.9363   -9.8847
            12  C1x C     2.7001   -9.8096
            13  N1y N     2.8246   -9.0570
            14  C4a C     2.3597   -8.4035
            15  O4a O     1.5611   -8.4883
            16  C8y C     2.0644  -11.2050
            17  C8y C     1.6172  -10.5889
            18  N4x N     1.6143  -11.8189
            19  C1z C     6.0291  -12.9582
            20  C1y C     6.7210  -12.5553
            21  C1y C     6.0325  -13.7543
            22  C8y C     4.6562  -12.9582
            23  C1x C     5.5220  -12.3049
            24  C1z C     7.4123  -12.9547
            25  N1y N     6.7141  -11.7488
            26  C1z C     6.7279  -14.1544
            27  N1y N     5.3405  -14.1544
            28  C8y C     4.6562  -13.7543
            29  C8x C     3.9684  -12.5656
            30  C1x C     5.9249  -11.6998
            31  C1y C     7.4192  -13.7578
            32  C2x C     8.1153  -12.5484
            33  C1b C     8.0946  -13.3445
            34  C1x C     7.4088  -11.3418
            35  C7a C     7.2812  -14.7070
            36  O1a O     6.4326  -15.3190
            37  C1a C     4.9404  -14.8325
            38  C8x C     3.9684  -14.1579
            39  C8y C     3.2826  -12.9582
            40  O7a O     8.1049  -14.1510
            41  C2x C     8.1187  -11.7419
            42  C1a C     8.7720  -12.9513
            43  O7a O     7.1832  -15.4782
            44  O7a O     8.0387  -14.8808
            45  C8y C     3.2826  -13.7543
            46  C7a C     8.8873  -14.1399
            47  C1a C     6.5499  -15.9239
            48  O2a O     2.6017  -14.1475
            49  C1a C     9.2687  -13.4556
            50  O7a O     9.2825  -14.8181
            51  C1a C     1.9243  -13.7474
            52  O7a O     2.6500  -13.1041
            53  C1x C     3.2334  -10.4208
            54  C5x C     4.0500  -10.4208
            55  C2x C     3.4792   -8.6666
            56  C2y C     4.2125   -8.8625
            57  C1x C     4.4542   -9.7083
            58  O5x O     4.4542  -11.1291
            59  C1b C     4.9209   -8.4541
            60  C1a C     5.6334   -8.8625
BOND        67
            1     4   5 1
            2    12  13 1
            3     5   6 2
            4    13  14 1
            5     6   9 1
            6    14  15 2
            7     8   7 1
            8     7   4 2
            9     8   9 2
            10   16  17 2
            11   19  20 1
            12   19  21 1
            13   19  22 1
            14   19  23 1 #Up
            15   20  24 1
            16   20  25 1
            17   21  26 1
            18   21  27 1
            19   22  28 2
            20   22  29 1
            21   23  30 1
            22   24  31 1
            23   24  32 1
            24   24  33 1 #Down
            25   25  34 1
            26   26  35 1 #Down
            27   26  36 1 #Up
            28   27  37 1
            29   28  38 1
            30   29  39 2
            31   31  40 1 #Up
            32   32  41 2
            33   33  42 1
            34   35  43 1
            35   35  44 2
            36   38  45 2
            37   40  46 1
            38   43  47 1
            39   45  48 1
            40   46  49 1
            41   46  50 2
            42   48  51 1
            43   25  30 1
            44   26  31 1
            45   27  28 1
            46   34  41 1
            47   39  45 1
            48   10  39 1
            49   10   1 1 #Up
            50   17   8 1
            51    1  52 2
            52    9  18 1
            53   10  53 1
            54   18  16 1
            55   53  54 1
            56    1   2 1
            57   13  55 1
            58   55  56 2
            59   16  10 1
            60   54  57 1
            61   56  57 1
            62   12  11 1
            63   54  58 2
            64   11  17 1
            65   56  59 1
            66    2   3 1
            67   59  60 1


entry: C09130
name: --- - Ceceline
formula: C19H16N2O2
kcf:
ATOM        23
            1   C8y C    -0.7034    0.6724
            2   C8y C    -0.2759   -0.0207
            3   C8y C    -1.4966    0.4862
            4   C8x C    -0.3138    1.3828
            5   C8y C     0.5310    0.0034
            6   N4x N    -0.8069   -0.6379
            7   C8y C    -1.4966   -0.3241
            8   C8x C    -2.1966    0.8931
            9   C8x C     0.5000    1.4069
            10  C1b C     0.9759   -0.7207
            11  N5x N     0.9241    0.7138
            12  C8x C    -2.2034   -0.7276
            13  C8y C    -2.9069    0.4897
            14  C8y C     1.8207   -0.6966
            15  C8x C    -2.9103   -0.3207
            16  O2a O    -3.6379    0.9172
            17  C8x C     2.2621   -1.4241
            18  C8x C     2.2310    0.0483
            19  C1a C    -4.3724    0.4966
            20  C8x C     3.1103   -1.4069
            21  C8x C     3.0828    0.0690
            22  C8y C     3.5207   -0.6621
            23  O1a O     4.3655   -0.6414
BOND        26
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    7  12 1
            12    8  13 2
            13   10  14 1
            14   12  15 2
            15   13  16 1
            16   14  17 2
            17   14  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 2
            21   20  22 2
            22   22  23 1
            23    6   7 1
            24    9  11 1
            25   13  15 1
            26   21  22 1


entry: C09131
name: --- - Chanoclavine-I
formula: C16H20N2O
kcf:
ATOM        19
            1   C8y C     5.0694  -13.7220
            2   C8x C     5.0719  -14.5261
            3   N4x N     3.6895  -14.5303
            4   C8y C     3.6871  -13.7262
            5   C8y C     4.3812  -13.3199
            6   C1y C     5.7578  -12.5189
            7   N1b N     6.4490  -12.1149
            8   C1a C     7.1406  -12.5107
            9   C1y C     5.0624  -12.1220
            10  C2b C     5.0603  -11.3230
            11  C2c C     5.7520  -10.9230
            12  C1b C     5.7520  -10.1271
            13  C1a C     6.4437  -11.3188
            14  C8x C     2.9875  -13.3250
            15  C8x C     2.9875  -12.5250
            16  C8x C     3.6829  -12.1250
            17  C8y C     4.3705  -12.5250
            18  C1x C     5.7613  -13.3189
            19  O1a O     6.4417   -9.7167
BOND        21
            1     2   3 1
            2    10  11 2
            3     1   2 2
            4    11  12 1
            5    11  13 1
            6     6   7 1 #Down
            7     3   4 1
            8     7   8 1
            9    14  15 2
            10   15  16 1
            11   16  17 2
            12    4  14 1
            13    4   5 2
            14    5   1 1
            15    5  17 1
            16   17   9 1
            17    9   6 1
            18    6  18 1
            19   18   1 1
            20    9  10 1 #Up
            21   12  19 1


entry: C09132
name: --- - Mascaroside
formula: C26H36O11
kcf:
ATOM        37
            1   C1z C     5.1375  -11.8833
            2   C1b C     5.8430  -11.4703
            3   O1a O     5.7195  -12.4620
            4   O2a O     6.5526  -11.8764
            5   C1y C     7.2581  -11.4703
            6   O2x O     7.9635  -11.8799
            7   C1y C     7.2615  -10.6510
            8   C1y C     8.6724  -11.4737
            9   C1y C     7.9704  -10.2449
            10  O1a O     6.5560  -10.2414
            11  C1y C     8.6759  -10.6579
            12  C1b C     9.3820  -11.8868
            13  O1a O     7.9738   -9.4290
            14  O1a O     9.3889  -10.2552
            15  O1a O    10.0875  -11.4806
            16  C1z C     3.7161  -12.6940
            17  C1y C     3.0141  -12.2809
            18  C1x C     4.4292  -12.2947
            19  C1x C     3.7161  -13.5098
            20  C1z C     2.3086  -12.6871
            21  C1y C     3.0210  -11.4685
            22  C1y C     4.4361  -11.4789
            23  C1x C     3.0072  -13.9160
            24  C1y C     2.3052  -13.5029
            25  C1x C     1.6031  -12.2775
            26  C1a C     2.3017  -11.8712
            27  C1x C     3.7299  -11.0658
            28  O1a O     2.3190  -11.0520
            29  C8y C     1.5997  -13.9090
            30  C5x C     0.8935  -12.6871
            31  C8y C     0.9073  -13.4822
            32  C8x C     1.4031  -14.7014
            33  O5x O     0.1811  -12.2844
            34  O2x O     0.2880  -14.0091
            35  C8x C     0.5943  -14.7594
            36  C1y C     4.4208  -13.1000
            37  O1a O     4.6261  -13.8938
BOND        42
            1     7   9 1
            2     7  10 1 #Down
            3     8  11 1
            4     8  12 1 #Up
            5     9  13 1 #Up
            6    11  14 1 #Down
            7    12  15 1
            8     9  11 1
            9     1   2 1 #Up
            10    1   3 1 #Down
            11    2   4 1
            12    5   4 1 #Up
            13    5   6 1
            14   16  17 1
            15   16  18 1
            16   16  19 1
            17   17  20 1
            18   17  21 1
            19   18  22 1
            20   19  23 1
            21   20  24 1
            22   20  25 1
            23   20  26 1 #Down
            24   21  27 1
            25   21  28 1 #Up
            26   24  29 1
            27   25  30 1
            28   29  31 2
            29   29  32 1
            30   30  33 2
            31   31  34 1
            32   32  35 2
            33   22  27 1
            34   23  24 1
            35   30  31 1
            36   34  35 1
            37    5   7 1
            38   16  36 1 #Up
            39   22   1 1 #Up
            40   36   1 1
            41    6   8 1
            42   36  37 1 #Down


entry: C09133
name: --- - (-)-Chimonanthine
formula: C22H26N4
kcf:
ATOM        26
            1   C1z C     4.6736  -11.5280
            2   C1z C     5.4598  -12.7970
            3   C8y C     5.4529  -11.3142
            4   C1y C     4.2322  -10.8556
            5   C1x C     4.1770  -12.1556
            6   C8y C     4.6805  -13.0108
            7   C1y C     5.9046  -13.4660
            8   C1x C     5.9564  -12.1659
            9   C8y C     5.4874  -10.5073
            10  C8x C     6.1288  -11.7453
            11  N1x N     4.7357  -10.2246
            12  N1y N     3.4564  -11.0728
            13  C1x C     3.4219  -11.8797
            14  C8y C     4.6460  -13.8142
            15  C8x C     4.0046  -12.5797
            16  N1x N     5.4012  -14.1004
            17  N1y N     6.6805  -13.2522
            18  C1x C     6.7115  -12.4453
            19  C8x C     6.2012  -10.1418
            20  C8x C     6.8391  -11.3763
            21  C1a C     2.9977  -10.4073
            22  C8x C     3.9322  -14.1832
            23  C8x C     3.2943  -12.9487
            24  C1a C     7.1253  -13.9211
            25  C8x C     6.8805  -10.5728
            26  C8x C     3.2564  -13.7522
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 2
            9     3  10 1
            10    4  11 1
            11    4  12 1
            12    5  13 1
            13    6  14 2
            14    6  15 1
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    9  19 1
            19   10  20 2
            20   12  21 1
            21   14  22 1
            22   15  23 2
            23   17  24 1
            24   19  25 2
            25   22  26 2
            26    9  11 1
            27   12  13 1
            28   14  16 1
            29   17  18 1
            30   20  25 1
            31   23  26 1


entry: C09134
name: --- - Mezerein
formula: C38H38O10
kcf:
ATOM        48
            1   C1z C    17.3885  -16.3717
            2   C1y C    18.0878  -16.7158
            3   C1y C    16.6892  -16.6986
            4   O2x O    18.0533  -15.9786
            5   C1y C    17.3367  -15.6000
            6   C1y C    18.7353  -16.2855
            7   C1y C    18.2568  -17.4703
            8   C1z C    16.5099  -17.4461
            9   C2x C    16.0306  -16.2958
            10  C1z C    18.6733  -13.9566
            11  C1y C    17.9878  -15.1621
            12  C1a C    16.6444  -15.2552
            13  C1z C    18.6802  -15.5069
            14  O2x O    19.4628  -16.4620
            15  C1z C    17.7602  -18.0703
            16  O2x O    18.4868  -18.1596
            17  C1y C    16.9850  -18.0634
            18  C5x C    15.7417  -17.5047
            19  O1a O    16.3065  -18.2047
            20  C2y C    15.4451  -16.7986
            21  O2x O    18.6802  -14.7318
            22  C8y C    18.6698  -13.1849
            23  O7a O    17.9809  -14.3904
            24  C2c C    19.3449  -15.1172
            25  C1b C    18.1464  -18.7385
            26  O1a O    16.9816  -18.8316
            27  O5x O    15.3314  -18.1668
            28  C1a C    14.6941  -16.6124
            29  C8x C    19.3311  -12.7953
            30  C8x C    17.9947  -12.8022
            31  C7a C    17.3057  -14.0014
            32  C1a C    19.3415  -14.3421
            33  C2a C    20.0139  -15.5034
            34  O1a O    18.9216  -18.7385
            35  C8x C    19.3277  -12.0201
            36  C8x C    17.9913  -12.0270
            37  C2b C    16.6409  -14.3904
            38  O7a O    17.3057  -13.2263
            39  C8x C    18.6595  -11.6339
            40  C2b C    15.9651  -14.0014
            41  C2b C    15.3003  -14.3904
            42  C2b C    14.6320  -14.0014
            43  C8y C    13.9672  -14.3904
            44  C8x C    13.2887  -14.0014
            45  C8x C    13.9672  -15.1621
            46  C8x C    12.6163  -14.3939
            47  C8x C    13.2921  -15.5517
            48  C8x C    12.6163  -15.1655
BOND        55
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 2
            20   10  21 1
            21   10  22 1
            22   11  23 1 #Up
            23   13  24 1 #Up
            24   15  25 1 #Up
            25   17  26 1 #Up
            26   18  27 2
            27   20  28 1
            28   22  29 1
            29   22  30 2
            30   23  31 1
            31   24  32 1
            32   24  33 2
            33   25  34 1
            34   29  35 2
            35   30  36 1
            36   31  37 1
            37   31  38 2
            38   35  39 1
            39   37  40 2
            40   40  41 1
            41   41  42 2
            42   42  43 1
            43   43  44 2
            44   43  45 1
            45   44  46 1
            46   45  47 2
            47   46  48 2
            48   10  14 1
            49   11  13 1
            50   13  21 1 #Down
            51   15  16 1
            52   15  17 1
            53   18  20 1
            54   36  39 2
            55   47  48 1


entry: C09135
name: --- - Montanin
formula: C32H48O8
kcf:
ATOM        40
            1   C1z C    13.6661  -15.4990
            2   C1y C    14.3523  -15.8335
            3   C1y C    13.0557  -15.8439
            4   O2x O    14.3138  -15.0421
            5   C1y C    13.6143  -14.7266
            6   C1y C    14.5143  -16.5852
            7   C1y C    14.9936  -15.4059
            8   C1z C    12.7971  -16.5645
            9   C2x C    12.4523  -15.3749
            10  C1z C    14.9316  -13.1128
            11  C1x C    14.2557  -14.3025
            12  C1a C    12.9488  -14.3439
            13  C1z C    14.0350  -17.1714
            14  O2x O    14.7417  -17.2470
            15  C1z C    14.9419  -14.6404
            16  O2x O    15.6906  -15.6934
            17  C1y C    13.2695  -17.1645
            18  C5x C    12.0316  -16.5404
            19  O1a O    12.5936  -17.2956
            20  C2y C    11.8212  -15.8059
            21  O2x O    14.9385  -13.8783
            22  C1b C    14.9281  -12.3439
            23  C1b C    14.4109  -17.8301
            24  C2c C    15.5730  -14.2163
            25  O1a O    13.0626  -17.8990
            26  O5x O    11.5661  -17.1439
            27  C1a C    11.1005  -15.5439
            28  C1b C    15.5867  -11.9645
            29  O1a O    15.1764  -17.8301
            30  C1a C    15.5695  -13.4439
            31  C2a C    16.2523  -14.5714
            32  C1b C    16.2488  -12.3404
            33  C1b C    16.9074  -11.9611
            34  C1b C    17.5695  -12.3370
            35  C1b C    18.2281  -11.9576
            36  C1b C    18.8833  -12.3370
            37  C1b C    19.5488  -11.9542
            38  C1b C    20.2074  -12.3301
            39  C1b C    20.8695  -11.9473
            40  C1a C    21.5281  -12.3266
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 2
            20   10  21 1
            21   10  22 1
            22   13  23 1 #Up
            23   15  24 1 #Up
            24   17  25 1 #Up
            25   18  26 2
            26   20  27 1
            27   22  28 1
            28   23  29 1
            29   24  30 1
            30   24  31 2
            31   28  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   10  16 1
            41   11  15 1
            42   13  14 1
            43   13  17 1
            44   15  21 1 #Down
            45   18  20 1


entry: C09136
name: --- - Montanin A
formula: C19H20O4
kcf:
ATOM        23
            1   C1y C     5.0814  -11.1867
            2   C8y C     5.0779  -10.3824
            3   C8x C     4.4708   -9.8451
            4   C8x C     5.7746   -9.9699
            5   C8x C     4.7971   -9.1070
            6   O2x O     5.5973   -9.1905
            7   C1z C     5.3742  -12.5239
            8   C7x C     6.1038  -12.0963
            9   O7x O     5.9240  -11.2689
            10  C1x C     4.7396  -11.9614
            11  C1y C     4.6695  -12.9251
            12  C1y C     6.0733  -12.9286
            13  C8y C     4.6730  -13.7363
            14  C1x C     3.9652  -12.5195
            15  C1x C     6.0698  -13.7432
            16  C1a C     6.7734  -12.5299
            17  C8y C     5.3732  -14.1419
            18  C8y C     3.9652  -14.1419
            19  C1x C     3.2651  -12.9251
            20  C1x C     3.2651  -13.7363
            21  C8x C     4.1833  -14.9625
            22  O2x O     5.1458  -14.9625
            23  O7x O     6.8333  -11.6667
BOND        27
            1     5   6 1
            2     1   2 1 #Up
            3     2   3 1
            4     2   4 2
            5     7   8 1 #Down
            6     8   9 1
            7     9   1 1
            8     1  10 1
            9     7  11 1
            10    7  12 1
            11   11  13 1
            12   11  14 1
            13   12  15 1
            14   12  16 1 #Down
            15   13  17 2
            16   13  18 1
            17   14  19 1
            18   18  20 1
            19   15  17 1
            20   19  20 1
            21    7  10 1 #Up
            22   18  21 2
            23    3   5 2
            24   17  22 1
            25   21  22 1
            26    4   6 1
            27    8  23 2


entry: C09137
name: --- - Montanol
formula: C21H36O4
kcf:
ATOM        25
            1   C1z C     1.4966   -0.3241
            2   O2x O     2.2483   -0.6759
            3   C1y C     1.2966    0.4793
            4   C1b C     0.6897   -0.5345
            5   C1a C     1.4897   -1.1517
            6   C1x C     2.9862   -0.3000
            7   C1x C     1.8000    1.1414
            8   O1a O     0.4828    0.6483
            9   C1b C    -0.0276   -0.1207
            10  C2y C     3.1552    0.5138
            11  C1x C     2.6310    1.1552
            12  C1b C    -0.7448   -0.5345
            13  C2b C     3.9793    0.5172
            14  C1c C    -1.4621   -0.1207
            15  C1b C     4.3897    1.2310
            16  C5a C    -2.1793   -0.5345
            17  C1a C    -1.4621    0.7069
            18  O1a O     5.2172    1.2310
            19  C2b C    -2.8966   -0.1207
            20  O5a O    -2.1793   -1.3621
            21  C2c C    -3.6069   -0.5345
            22  C1c C    -4.3241   -0.1207
            23  C1a C    -3.6069   -1.3621
            24  C1a C    -5.0414   -0.5345
            25  C1a C    -4.3241    0.7069
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 2
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   14  17 1 #Down
            17   15  18 1
            18   16  19 1
            19   16  20 2
            20   19  21 2
            21   21  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   10  11 1


entry: C09138
name: --- - Nagilactone C
formula: C19H22O7
kcf:
ATOM        26
            1   C1z C     4.3667  -12.0068
            2   C1y C     4.3701  -12.8296
            3   C1y C     3.6583  -11.5991
            4   C8y C     5.0792  -11.6026
            5   C1a C     4.3598  -11.1874
            6   C1z C     3.6583  -13.2414
            7   C1y C     5.0792  -13.2414
            8   C1y C     2.9458  -12.0068
            9   O2x O     2.9423  -11.1874
            10  C8y C     5.7841  -12.0171
            11  C8x C     5.0861  -10.7832
            12  C1y C     2.9458  -12.8296
            13  C1a C     3.2362  -13.9462
            14  C1y C     5.7841  -12.8365
            15  C8y C     6.5000  -11.6164
            16  C8y C     5.7978  -10.3783
            17  O1a O     2.2333  -13.2414
            18  O1a O     6.4966  -13.2483
            19  O7x O     6.5069  -10.7970
            20  C1c C     7.2014  -12.0206
            21  O7x O     5.8047   -9.5555
            22  C1a C     7.1945  -12.8434
            23  C1a C     7.9139  -11.6095
            24  C7x C     3.8708  -14.0458
            25  O7x O     4.8583  -14.0458
            26  O7x O     3.3604  -14.7088
BOND        30
            1     1   4 1
            2     1   5 1 #Up
            3     2   6 1
            4     2   7 1
            5     3   8 1
            6     3   9 1
            7     4  10 1
            8     4  11 2
            9     6  12 1
            10    6  13 1 #Down
            11    7  14 1
            12   10  15 2
            13   11  16 1
            14   12  17 1 #Up
            15   14  18 1 #Up
            16   15  19 1
            17   15  20 1
            18   16  21 2
            19   20  22 1
            20   20  23 1
            21    8   9 1
            22    8  12 1
            23   10  14 1
            24   16  19 1
            25    6  24 1
            26    1   2 1
            27    7  25 1
            28   24  25 1
            29    1   3 1
            30   24  26 2


entry: C09139
name: --- - Coronaridine
formula: C21H26N2O2
kcf:
ATOM        25
            1   C1z C     4.3831  -12.0827
            2   C1y C     4.8160  -11.5031
            3   C1x C     4.9632  -12.5457
            4   C1y C     5.4886  -11.9335
            5   C1y C     5.9665  -11.4278
            6   C1x C     6.5875  -11.9018
            7   C1b C     6.2027  -10.6303
            8   C8y C     2.5654  -11.6598
            9   N4x N     3.2454  -12.6176
            10  C8y C     2.5662  -12.3798
            11  C8x C     1.9385  -11.3002
            12  C8x C     1.9385  -12.7477
            13  C8x C     1.3169  -11.6598
            14  C8x C     1.3169  -12.3798
            15  C8y C     3.6656  -12.0347
            16  C8y C     3.2579  -11.4493
            17  C1x C     3.4579  -10.7546
            18  C1x C     4.1227  -10.4825
            19  N1y N     4.7493  -10.8290
            20  C1x C     5.2667   -9.8584
            21  C7a C     4.1751  -12.8458
            22  O7a O     4.7375  -13.4041
            23  C1a C     4.5251  -14.1750
            24  O7a O     3.4042  -13.0500
            25  C1a C     7.0138  -10.4400
BOND        29
            1     3   4 1
            2     5   6 1
            3     1   2 1
            4     1   3 1
            5     2   5 1
            6    16   8 1
            7    15   9 1
            8     8  10 2
            9     8  11 1
            10   10  12 1
            11   11  13 2
            12   12  14 2
            13    9  10 1
            14   13  14 1
            15   15  16 2
            16   16  17 1
            17   15   1 1
            18   17  18 1
            19   18  19 1
            20    2  19 1
            21   19  20 1 #Up
            22    1  21 1 #Down
            23   21  22 1
            24   22  23 1
            25   21  24 2
            26    4  20 1 #Up
            27    4   6 1
            28    7  25 1
            29    5   7 1 #Up


entry: C09140
name: --- - Neocembrene
formula: C20H32
kcf:
ATOM        20
            1   C1y C    17.8737  -15.8649
            2   C1x C    17.1703  -16.2925
            3   C1x C    17.6806  -15.0614
            4   C2c C    18.6392  -16.1787
            5   C1x C    16.5427  -15.7614
            6   C2x C    16.8599  -14.9994
            7   C2a C    18.7496  -16.9994
            8   C1a C    19.2978  -15.6752
            9   C2y C    15.7772  -16.0821
            10  C2y C    16.5358  -14.2304
            11  C2x C    15.0047  -15.7752
            12  C1a C    15.7841  -16.9097
            13  C1x C    15.7668  -13.9131
            14  C1a C    17.1220  -13.6407
            15  C1x C    14.3772  -16.3097
            16  C1x C    15.0047  -14.2373
            17  C1x C    13.6703  -15.8787
            18  C2x C    14.6909  -15.0063
            19  C2y C    13.8634  -15.0718
            20  C1a C    13.3254  -14.4407
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    9  11 2
            11    9  12 1
            12   10  13 1
            13   10  14 1
            14   11  15 1
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   19  20 1
            20   18  19 2


entry: C09141
name: --- - Byakangelicin
formula: C17H18O7
kcf:
ATOM        24
            1   C8y C     5.3430  -11.5470
            2   C8y C     4.6326  -11.9539
            3   C8y C     5.3499  -10.7297
            4   O7x O     6.0499  -11.9608
            5   C8y C     3.9223  -11.5435
            6   O2a O     4.6292  -12.7746
            7   C8y C     4.6395  -10.3125
            8   C8x C     6.0602  -10.3228
            9   C8y C     6.7602  -11.5573
            10  C8y C     3.9257  -10.7228
            11  O2x O     3.1395  -11.7884
            12  C1b C     5.3361  -13.1884
            13  O2a O     4.6464   -9.4918
            14  C8x C     6.7671  -10.7401
            15  O7x O     7.4671  -11.9711
            16  C8x C     3.1464  -10.4608
            17  C8x C     2.6602  -11.1228
            18  C1c C     5.3326  -14.0091
            19  C1a C     5.3568   -9.0849
            20  C1d C     6.0430  -14.4228
            21  O1a O     4.6223  -14.4160
            22  C1a C     6.0395  -15.2435
            23  C1a C     6.7533  -14.0160
            24  O1a O     6.8740  -14.9160
BOND        26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14    9  15 2
            15   10  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 1
            19   18  20 1
            20   18  21 1 #Down
            21   20  22 1
            22   20  23 1
            23   20  24 1
            24    7  10 2
            25    9  14 1
            26   16  17 2


entry: C09142
name: --- - Cryptolepine
formula: C16H12N2
kcf:
ATOM        18
            1   C8y C    -0.2759   -0.0759
            2   C8y C    -1.0621   -0.3414
            3   C8y C     0.2172   -0.7345
            4   N4y N     0.0448    0.6759
            5   C8y C    -1.0552   -1.1655
            6   C8x C    -1.7759    0.0621
            7   N5x N    -0.2586   -1.4138
            8   C8x C     1.0310   -0.6379
            9   C8y C     0.8621    0.7759
            10  C1a C    -0.2414    1.4931
            11  C8x C    -1.7621   -1.5793
            12  C8x C    -2.4862   -0.3517
            13  C8y C     1.3586    0.1172
            14  C8x C     1.1897    1.5379
            15  C8x C    -2.4793   -1.1793
            16  C8x C     2.1793    0.2138
            17  C8x C     2.0103    1.6345
            18  C8x C     2.5035    0.9724
BOND        21
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    8  13 1
            13    9  14 1
            14   11  15 2
            15   13  16 1
            16   14  17 2
            17   16  18 2
            18    5   7 2
            19    9  13 2
            20   12  15 1
            21   17  18 1


entry: C09143
name: --- - 12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate
formula: C30H40O7
kcf:
ATOM        37
            1   C1z C    16.5227   -5.1792
            2   C1y C    16.5362   -6.0151
            3   C1y C    15.7245   -4.8095
            4   C1z C    17.2342   -5.5454
            5   O7a O    17.1033   -4.6857
            6   C1y C    15.8389   -6.4883
            7   C1y C    15.0272   -5.2723
            8   O7a O    15.7176   -3.9701
            9   C1a C    17.9564   -5.9565
            10  C1a C    17.9564   -5.1171
            11  C1z C    15.0823   -6.1151
            12  C2x C    16.0148   -7.3035
            13  C1a C    14.2740   -4.9060
            14  C7a C    14.9961   -3.5487
            15  C1y C    14.3561   -6.4603
            16  O1a O    15.0754   -6.9475
            17  C2y C    15.4900   -7.9531
            18  C1y C    14.1742   -7.2862
            19  C2x C    13.7488   -6.0120
            20  C1x C    14.6505   -7.9497
            21  C1b C    15.8424   -8.7133
            22  C5x C    13.2509   -7.2796
            23  C2y C    13.0405   -6.4227
            24  O1a O    16.6783   -8.7098
            25  O5x O    12.7642   -7.8876
            26  C1a C    12.3014   -6.1151
            27  C7a C    17.0958   -3.9208
            28  O7a O    16.4286   -3.5449
            29  C1a C    17.7514   -3.5320
            30  C2b C    14.9987   -2.7154
            31  O7a O    14.2720   -3.9631
            32  C2b C    14.2773   -2.2964
            33  C2b C    13.5531   -2.7108
            34  C2b C    12.8317   -2.2918
            35  C1b C    12.1117   -2.7062
            36  C1b C    11.3902   -2.2873
            37  C1a C    10.6661   -2.7016
BOND        40
            1     6  12 1
            2     7  13 1 #Down
            3     8  14 1
            4    11  15 1
            5    11  16 1 #Down
            6    12  17 2
            7    15  18 1
            8    15  19 1
            9    17  20 1
            10   17  21 1
            11   18  22 1
            12   19  23 2
            13   21  24 1
            14   22  25 2
            15   23  26 1
            16    2   4 1
            17    7  11 1
            18   18  20 1
            19   22  23 1
            20    5  27 1
            21    1   2 1
            22   27  28 2
            23    1   3 1
            24   27  29 1
            25    1   4 1
            26   14  30 1
            27    1   5 1 #Down
            28   14  31 2
            29    2   6 1
            30   30  32 2
            31    3   7 1
            32   32  33 1
            33    3   8 1 #Up
            34   33  34 2
            35    4   9 1
            36   34  35 1
            37    4  10 1
            38   35  36 1
            39    6  11 1
            40   36  37 1


entry: C09144
name: --- - C-Curarine - C-Curarine I
formula: C40H44N4O
kcf:
ATOM        45
            1   C1z C     5.9260  -13.7947
            2   C1z C     5.4819  -13.1168
            3   C1y C     5.5578  -14.4767
            4   C8y C     6.7108  -13.5850
            5   C1x C     6.8832  -14.2422
            6   C2y C     4.8143  -13.1306
            7   N1y N     5.9949  -12.4872
            8   N2y N     5.9260  -15.1443 #+
            9   C1x C     4.7867  -14.4595
            10  C8y C     6.7315  -12.8176
            11  C8x C     7.3680  -13.9982
            12  C1x C     6.6660  -14.9725
            13  C1y C     4.4220  -13.7809
            14  C2x C     4.1599  -12.6141
            15  C2x C     5.9915  -11.6749
            16  C1x C     5.2585  -15.5125
            17  C1a C     6.2977  -15.8152
            18  C8x C     7.4128  -12.4527
            19  C8x C     8.0535  -13.6264
            20  C2y C     4.0227  -14.4422
            21  N1y N     4.1634  -11.8086
            22  C2y C     5.4543  -11.1514
            23  C8x C     8.0776  -12.8555
            24  C2b C     3.2096  -14.4250
            25  C1z C     4.6488  -11.1514
            26  C8y C     3.3923  -11.5542
            27  C1y C     5.7846  -10.4590
            28  C1a C     2.8276  -13.7161
            29  C1z C     4.1737  -10.4901
            30  C8y C     3.4165  -10.7797
            31  C8x C     2.7111  -11.9190
            32  C1x C     5.3888   -9.7984
            33  C2y C     6.1529   -9.7846
            34  C1y C     4.6178   -9.8156
            35  C1x C     3.3061  -10.1115
            36  C8x C     2.7628  -10.3701
            37  C8x C     2.0531  -11.5163
            38  C1x C     4.8723   -8.7695
            39  C2b C     6.9618   -9.7673
            40  N2y N     4.2185   -9.1654 #+
            41  C1x C     3.4923   -9.3750
            42  C8x C     2.0773  -10.7384
            43  C1a C     7.3783  -10.4556
            44  C1a C     3.8262   -8.5109
            45  O2x O     5.0708  -12.1458
BOND        56
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 1 #Down
            17   10  18 1
            18   11  19 2
            19   13  20 1
            20   14  21 1
            21   15  22 2
            22   18  23 2
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   22  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 2
            30   26  31 1
            31   27  32 1
            32   27  33 1
            33   29  34 1
            34   29  35 1 #Up
            35   30  36 1
            36   31  37 2
            37   33  38 1
            38   33  39 2
            39   34  40 1
            40   35  41 1
            41   36  42 2
            42   39  43 1
            43   40  44 1 #Down
            44    7  10 1
            45    8  12 1
            46    9  13 1
            47   16  20 1
            48   19  23 1
            49   22  25 1
            50   29  30 1
            51   32  34 1
            52   37  42 1
            53   38  40 1
            54   40  41 1
            55   25  45 1 #Up
            56    2  45 1 #Up


entry: C09145
name: --- - Ophiobolin A
formula: C25H36O4
kcf:
ATOM        29
            1   C1z C    17.2571  -13.6471
            2   C1y C    16.4351  -13.5843
            3   O2x O    18.0730  -13.7675
            4   C1y C    17.1197  -12.8362
            5   C1x C    17.4497  -14.4521
            6   C1z C    16.1202  -14.3460
            7   C1x C    16.1179  -12.8156
            8   C1y C    18.4416  -13.0291
            9   C1x C    17.8507  -12.4500
            10  C1a C    17.0170  -12.0063
            11  C1x C    16.7489  -14.8813
            12  C1x C    15.3565  -14.6691
            13  C1a C    15.7863  -15.0996
            14  C2x C    15.3502  -12.5057
            15  C2b C    19.2567  -12.8823
            16  C1y C    14.5884  -14.3515
            17  C2y C    14.5843  -12.8166
            18  C2c C    19.7877  -13.5218
            19  C1y C    14.2712  -13.5828
            20  C1z C    13.9569  -14.8898
            21  C4a C    13.9960  -12.2312
            22  C1a C    20.6046  -13.3796
            23  C1a C    19.5000  -14.2991
            24  C5x C    13.4410  -13.6517
            25  C1x C    13.2491  -14.4592
            26  C1a C    14.0227  -15.7186
            27  O1a O    13.1797  -15.1920
            28  O4a O    14.2115  -11.4301
            29  O5x O    12.9028  -13.0203
BOND        32
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Up
            10    5  11 1
            11    6  12 1
            12    6  13 1 #Up
            13    7  14 1
            14    8  15 1 #Down
            15   12  16 1
            16   14  17 2
            17   15  18 2
            18   16  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   20  26 1 #Up
            26   20  27 1 #Down
            27   21  28 2
            28   24  29 2
            29    6  11 1
            30    8   9 1
            31   17  19 1
            32   24  25 1


entry: C09146
name: --- - Eburnamine - Eburnamenin-14-ol, 14,15-dihydro-, (14alpha)-
formula: C19H24N2O
kcf:
ATOM        22
            1   C1y C     6.0033  -11.7286
            2   C8y C     5.1930  -11.7148
            3   C1z C     6.3999  -12.4320
            4   N1y N     6.4206  -11.0355
            5   N4y N     4.6792  -12.3906
            6   C8y C     4.7137  -11.0148
            7   C1x C     5.9826  -13.1286
            8   C1x C     7.2068  -12.4424
            9   C1b C     6.8033  -13.1699
            10  C1x C     6.0378  -10.3217
            11  C1x C     7.2275  -11.0458
            12  C8y C     3.8723  -12.1113
            13  C1y C     5.1723  -13.1182
            14  C8y C     3.8930  -11.2941
            15  C1x C     5.2171  -10.3182
            16  C1x C     7.6206  -11.7527
            17  C1a C     7.6516  -13.1837
            18  C8x C     3.1689  -12.5044
            19  O1a O     4.7309  -13.8424
            20  C8x C     3.1895  -10.8872
            21  C8x C     2.4758  -12.0906
            22  C8x C     2.4792  -11.2872
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    6  15 1
            15    8  16 1
            16    9  17 1
            17   12  18 1
            18   13  19 1 #Down
            19   14  20 1
            20   18  21 2
            21   20  22 2
            22    7  13 1
            23   10  15 1
            24   11  16 1
            25   12  14 2
            26   21  22 1


entry: C09147
name: --- - Calanolide A
formula: C22H26O5
kcf:
ATOM        27
            1   C8y C     5.3977  -11.7470
            2   C8y C     5.4046  -12.5635
            3   C8y C     4.6811  -11.3477
            4   C8y C     6.1081  -11.3339
            5   C8y C     4.7053  -12.9945
            6   O7x O     6.1219  -12.9738
            7   C8y C     3.9750  -11.7677
            8   O2x O     4.6742  -10.5242
            9   C8x C     6.8211  -11.7366
            10  C1b C     6.1046  -10.5105
            11  C8y C     3.9888  -12.5945
            12  C1y C     4.7156  -13.8180
            13  C8y C     6.8280  -12.5531
            14  C2x C     3.2551  -11.3650
            15  C1z C     3.9543  -10.1208
            16  C1b C     6.8142  -10.0898
            17  O2x O     3.2792  -13.0152
            18  C1y C     4.0095  -14.2379
            19  O1a O     5.4322  -14.2207
            20  O7x O     7.5445  -12.9669
            21  C2x C     3.2482  -10.5415
            22  C1a C     4.3991   -9.4664
            23  C1a C     3.3516   -9.4250
            24  C1a C     6.8108   -9.2629
            25  C1y C     3.2930  -13.8352
            26  C1a C     4.0198  -15.0613
            27  C1a C     2.5833  -14.2586
BOND        30
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 1
            16   11  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   13  20 2
            20   14  21 2
            21   15  22 1
            22   15  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1 #Down
            26   25  27 1 #Up
            27    7  11 1
            28    9  13 1
            29   15  21 1
            30   18  25 1


entry: C09148
name: --- - Oryzalexin A
formula: C20H30O2
kcf:
ATOM        22
            1   C1z C    15.2441  -13.8073
            2   C1y C    15.9613  -13.3935
            3   C1y C    15.2406  -14.6349
            4   C1x C    14.5303  -13.3901
            5   C1a C    15.2372  -12.9797
            6   C2y C    16.6751  -13.8142
            7   C1x C    15.9682  -12.5659
            8   C1x C    15.9544  -15.0522
            9   C1z C    14.5303  -15.0487
            10  C1x C    13.8096  -13.8073
            11  C5x C    16.6751  -14.6418
            12  C2x C    17.3958  -13.4039
            13  C1x C    16.6889  -12.1625
            14  C1y C    13.8096  -14.6349
            15  C1a C    14.9337  -15.7660
            16  C1a C    14.1061  -15.7660
            17  O5x O    17.3924  -15.0556
            18  C1z C    17.4027  -12.5797
            19  C2b C    18.1234  -12.1728
            20  C1a C    17.3958  -11.7487
            21  C2a C    18.8372  -12.5832
            22  O1a O    13.0957  -15.0483
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14    9  15 1
            15    9  16 1
            16   11  17 2
            17   12  18 1
            18   18  19 1 #Up
            19   18  20 1 #Down
            20   19  21 2
            21    8  11 1
            22   10  14 1
            23   13  18 1
            24   14  22 1 #Down


entry: C09149
name: --- - Eburnamonine - Vinburnine
formula: C19H22N2O
kcf:
ATOM        22
            1   C1y C     5.8904  -11.6346
            2   C8y C     5.0835  -11.7415
            3   C1z C     6.3835  -12.2829
            4   N1y N     6.1973  -10.8898
            5   N4y N     4.6352  -12.4760
            6   C8y C     4.5249  -11.0932
            7   C1x C     6.0697  -13.0346
            8   C1x C     7.1870  -12.1760
            9   C1b C     6.8904  -12.9587
            10  C1x C     5.7180  -10.2346
            11  C1x C     7.0042  -10.7829
            12  C8y C     3.8042  -12.2794
            13  C5x C     5.2663  -13.1415
            14  C8y C     3.8008  -11.4656
            15  C1x C     4.9008  -10.3518
            16  C1x C     7.4973  -11.4277
            17  C1a C     7.7421  -12.8484
            18  C8x C     3.1008  -12.6898
            19  O5x O     4.9283  -13.9277
            20  C8x C     3.0939  -11.0656
            21  C8x C     2.3939  -12.2829
            22  C8x C     2.3801  -11.4725
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    6  15 1
            15    8  16 1
            16    9  17 1
            17   12  18 1
            18   13  19 2
            19   14  20 1
            20   18  21 2
            21   20  22 2
            22    7  13 1
            23   10  15 1
            24   11  16 1
            25   12  14 2
            26   21  22 1


entry: C09150
name: --- - 17-Oxogrindelic acid
formula: C20H30O4
kcf:
ATOM        24
            1   C1z C     5.0254  -11.8695
            2   C1z C     4.3047  -12.2833
            3   C2y C     5.7427  -12.2902
            4   O2x O     4.5703  -11.1833
            5   C1x C     5.8220  -11.6523
            6   C1y C     4.3013  -13.1109
            7   C1x C     3.5875  -11.8661
            8   C1a C     4.0841  -11.4799
            9   C2x C     5.7392  -13.1178
            10  C4a C     6.4634  -11.8764
            11  C1z C     5.0875  -10.5385
            12  C1x C     5.8599  -10.8281
            13  C1x C     5.0185  -13.5281
            14  C1z C     3.5875  -13.5247
            15  C1x C     2.8668  -12.2833
            16  O4a O     7.1737  -12.2902
            17  C1b C     5.8013  -10.1212
            18  C1a C     4.3565  -10.1454
            19  C1x C     2.8668  -13.1109
            20  C1a C     3.1668  -14.2419
            21  C1a C     3.9978  -14.2419
            22  C6a C     6.5185  -10.5350
            23  O6a O     7.2358  -10.1212
            24  O6a O     6.5185  -11.3661
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 2
            9     3  10 1
            10   11   4 1 #Down
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15   10  16 2
            16   11  17 1
            17   11  18 1
            18   14  19 1
            19   14  20 1
            20   14  21 1
            21   17  22 1
            22   22  23 1
            23   22  24 2
            24    9  13 1
            25   11  12 1 #Up
            26   15  19 1


entry: C09151
name: --- - Palmarin
formula: C20H22O7
kcf:
ATOM        27
            1   C8y C     6.1284  -10.1405
            2   C8x C     6.8330   -9.7297
            3   O2x O     6.6573   -8.9314
            4   C8x C     5.8441   -8.8507
            5   C8x C     5.5146   -9.5989
            6   C1z C     4.7159  -13.3311
            7   C1y C     4.7194  -12.5319
            8   C1z C     4.0305  -13.7311
            9   C1x C     5.4083  -13.7346
            10  C1a C     4.7091  -14.1270
            11  C1y C     4.0305  -12.1326
            12  C1z C     5.4152  -12.1361
            13  C1y C     3.3380  -13.3311
            14  C7x C     3.8167  -14.5064
            15  O1a O     4.2339  -14.5064
            16  C1x C     6.1083  -13.3380
            17  C1y C     3.3380  -12.5319
            18  O7x O     3.8167  -12.9043
            19  C1y C     6.1083  -12.5388
            20  C1x C     5.4221  -11.3367
            21  C1a C     5.4083  -12.9319
            22  O2x O     2.6422  -12.9353
            23  C7x C     6.8008  -12.1464
            24  C1y C     6.1221  -10.9402
            25  O7x O     6.8077  -11.3505
            26  O7x O     7.4897  -12.5526
            27  O7x O     3.1042  -14.9083
BOND        32
            1     2   3 1
            2     3   4 1
            3     4   5 2
            4     5   1 1
            5     6   7 1
            6     6   8 1
            7     6   9 1
            8     6  10 1 #Down
            9     7  11 1
            10    7  12 1
            11    8  13 1
            12    8  14 1 #Up
            13    8  15 1 #Down
            14    9  16 1
            15   11  17 1
            16   11  18 1 #Up
            17   12  19 1
            18   12  20 1
            19   12  21 1 #Up
            20   13  22 1
            21   19  23 1
            22   20  24 1
            23   23  25 1
            24   23  26 2
            25   24   1 1 #Down
            26   13  17 1
            27   14  18 1
            28   16  19 1
            29   17  22 1
            30   24  25 1
            31    1   2 2
            32   14  27 2


entry: C09152
name: --- - Echitamine
formula: C22H29N2O4
kcf:
ATOM        28
            1   C1z C     4.5629  -12.1473
            2   C1z C     5.0147  -12.7783
            3   C1z C     4.5595  -11.3852
            4   C8y C     3.8457  -12.3818
            5   C1x C     5.0078  -11.5301
            6   N2y N     5.7353  -12.5232 #+
            7   N1x N     4.5629  -13.3714
            8   C1y C     5.0078  -13.5335
            9   C1y C     6.1388  -14.1818
            10  C7a C     4.9319  -10.7370
            11  C1b C     3.8043  -11.3852
            12  C8y C     3.8457  -13.1370
            13  C8x C     3.1905  -12.0025
            14  C1x C     5.7319  -11.7611
            15  C1x C     6.3802  -12.9266
            16  C1a C     6.4629  -12.3232
            17  C1x C     5.3836  -14.1818
            18  O1a O     4.4698  -14.0645
            19  C2y C     6.4698  -13.6852
            20  O7a O     5.6871  -10.7370
            21  O7a O     4.5491  -10.0783
            22  O1a O     3.4319  -10.7370
            23  C8x C     3.1905  -13.5163
            24  C8x C     2.5319  -12.3818
            25  C2b C     7.2181  -13.6818
            26  C1a C     6.0595  -10.0818
            27  C8x C     2.5319  -13.1370
            28  C1a C     7.5940  -14.3370
BOND        32
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     2   8 1
            8     9   3 1 #Up
            9     3  10 1
            10    3  11 1
            11    4  12 2
            12    4  13 1
            13    5  14 1
            14    6  15 1
            15    6  16 1 #Down
            16    8  17 1
            17    8  18 1 #Down
            18    9  19 1
            19   10  20 1
            20   10  21 2
            21   11  22 1
            22   12  23 1
            23   13  24 2
            24   19  25 2
            25   20  26 1
            26   23  27 2
            27   25  28 1
            28    6  14 1
            29    7  12 1
            30    9  17 1
            31   15  19 1
            32   24  27 1


entry: C09153
name: --- - 12-O-Palmitoyl-16-hydroxyphorbol 13-acetate - Croton factor F1
formula: C38H60O9
kcf:
ATOM        47
            1   C1b C     9.8130  -12.4344
            2   C1b C    10.5303  -12.8478
            3   C1b C    11.2434  -12.4344
            4   C1b C    11.9488  -12.8444
            5   C1b C    12.6695  -12.4309
            6   C1b C    13.3785  -12.8368
            7   C1b C    14.0957  -12.4164
            8   C1b C    14.8087  -12.8334
            9   C1b C    15.5108  -12.4129
            10  C1b C    16.2315  -12.8299
            11  C1b C    16.9370  -12.4095
            12  C1b C    17.6542  -12.8230
            13  C1b C    18.3665  -12.4060
            14  C1b C    19.0803  -12.8196
            15  C1z C    21.2566  -13.9996
            16  C1y C    21.3167  -14.8251
            17  C1z C    21.9980  -14.3592
            18  C1y C    20.5117  -13.6358
            19  C1y C    20.6250  -15.2953
            20  C1b C    22.7034  -14.7693
            21  C1y C    19.8236  -14.0872
            22  O7a O    20.5083  -12.8137
            23  C1z C    19.8836  -14.9204
            24  C2x C    20.8010  -16.0926
            25  O1a O    23.4980  -14.5462
            26  C1a C    19.0822  -13.7310
            27  C1y C    19.1311  -15.2697
            28  O1a O    19.8691  -15.7467
            29  C2y C    20.2750  -16.7352
            30  C1z C    18.9483  -16.0677
            31  C2x C    18.4326  -14.8466
            32  C1x C    19.4487  -16.7283
            33  C1b C    20.6319  -17.4759
            34  C5x C    18.1289  -16.1422
            35  O1a O    18.7914  -16.7982
            36  C2y C    17.8107  -15.3829
            37  O1a O    21.4547  -17.4759
            38  O5x O    17.6982  -16.8443
            39  C1a C    17.0099  -15.1924
            40  C1a C    22.8018  -13.8300
            41  C7a C    19.7926  -12.4014
            42  O7a O    19.7892  -11.5751
            43  C1a C     9.1052  -12.8498
            44  O7a O    21.9792  -13.3625
            45  C7a C    21.9750  -12.5208
            46  C1a C    22.6957  -12.1006
            47  O7a O    21.2460  -12.1078
BOND        50
            1     8   9 1
            2     9  10 1
            3    10  11 1
            4    11  12 1
            5    12  13 1
            6    13  14 1
            7    15  16 1
            8    15  17 1
            9    15  18 1
            10   16  19 1
            11   17  20 1 #Down
            12   17  40 1 #Up
            13   18  21 1
            14   18  22 1 #Up
            15   19  23 1
            16   19  24 1
            17   20  25 1
            18   21  26 1 #Down
            19   23  27 1
            20   23  28 1 #Down
            21   24  29 2
            22   27  30 1
            23   27  31 1
            24   29  32 1
            25   29  33 1
            26   30  34 1
            27   30  35 1 #Up
            28   31  36 2
            29   33  37 1
            30   34  38 2
            31   36  39 1
            32   16  17 1
            33   21  23 1
            34   30  32 1
            35   34  36 1
            36    1   2 1
            37   22  41 1
            38    2   3 1
            39   41  42 2
            40   41  14 1
            41    3   4 1
            42    1  43 1
            43    4   5 1
            44   15  44 1 #Down
            45    5   6 1
            46   44  45 1
            47    6   7 1
            48   45  46 1
            49    7   8 1
            50   45  47 2


entry: C09154
name: --- - Ellipticine
formula: C17H14N2
kcf:
ATOM        19
            1   C8y C    16.4741  -14.8479
            2   C8y C    15.9681  -14.1586
            3   N4x N    15.9785  -15.5447
            4   C8y C    17.2862  -14.8284
            5   C8y C    16.4379  -13.4380
            6   C8y C    17.2540  -13.4162
            7   C8y C    17.6801  -14.1139
            8   C8x C    18.4965  -14.0915
            9   C8x C    18.8869  -13.3756
            10  N5x N    18.4608  -12.6779
            11  C8x C    17.6443  -12.7003
            12  C1a C    15.9860  -12.7122
            13  C1a C    17.7279  -15.5605
            14  C8y C    15.1574  -15.2443
            15  C8y C    15.1541  -14.4293
            16  C8x C    14.4697  -14.0593
            17  C8x C    13.7846  -14.4627
            18  C8x C    13.7463  -15.2777
            19  C8x C    14.5141  -15.6894
BOND        22
            1     1   4 1
            2     6   7 1
            3     7   8 1
            4     8   9 2
            5     9  10 1
            6    10  11 2
            7    11   6 1
            8     4   7 2
            9     5  12 1
            10    6   5 2
            11    4  13 1
            12    5   2 1
            13    2  15 1
            14   14   3 1
            15    3   1 1
            16    1   2 2
            17   14  15 2
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   19  14 1


entry: C09155
name: --- - Phorbol
formula: C20H28O6
kcf:
ATOM        26
            1   C1y C     1.2793    0.4207
            2   C1y C     0.5897   -0.0414
            3   C1z C     1.2241    1.2483
            4   C1z C     1.9655    0.8897
            5   C1z C    -0.1552    0.3241
            6   C2x C     0.7655   -0.8448
            7   C1y C     0.4793    1.6138
            8   O1a O     1.8035    1.8345
            9   C1a C     2.6759    1.3103
            10  C1a C     2.7586    0.6793
            11  C1y C    -0.8966   -0.0207
            12  C1y C    -0.2103    1.1517
            13  O1a O    -0.1621   -0.5000
            14  C2y C     0.2448   -1.4828
            15  O1a O     0.4724    2.4379
            16  C1z C    -1.0931   -0.8241
            17  C2x C    -1.6000    0.4103
            18  C1a C    -0.9517    1.5138
            19  C1x C    -0.5828   -1.4793
            20  C1b C     0.5966   -2.2310
            21  C5x C    -1.9138   -0.8862
            22  O1a O    -1.0966   -1.6483
            23  C2y C    -2.2276   -0.1241
            24  O1a O     1.4172   -2.2276
            25  O5x O    -2.3483   -1.5897
            26  C1a C    -3.0310    0.0690
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 2
            14    7  15 1 #Up
            15   11  16 1
            16   11  17 1
            17   12  18 1 #Down
            18   14  19 1
            19   14  20 1
            20   16  21 1
            21   16  22 1 #Up
            22   17  23 2
            23   20  24 1
            24   21  25 2
            25   23  26 1
            26    3   4 1
            27    7  12 1
            28   16  19 1
            29   21  23 1


entry: C09156
name: --- - Epivoacorine
formula: C43H52N4O6
kcf:
ATOM        53
            1   C2b C    11.0969  -14.2514
            2   C1a C    11.6213  -13.6178
            3   C1x C    13.0530  -16.5365
            4   C1y C    12.3165  -16.1551
            5   C1y C    12.0654  -15.3664
            6   C1y C    12.4399  -14.6373
            7   C1x C    13.2260  -14.3853
            8   C1y C    13.9625  -14.7666
            9   C8y C    14.2178  -15.5575
            10  C8y C    13.8390  -16.2886
            11  N4x N    15.0342  -15.6946
            12  C8y C    15.1547  -16.5136
            13  C8y C    14.4161  -16.8740
            14  C8x C    14.3651  -17.6950
            15  C8x C    15.0526  -18.1557
            16  C8x C    15.7912  -17.7912
            17  C8x C    15.8423  -16.9702
            18  N1y N    11.5361  -16.4452
            19  C1x C    11.0513  -15.7734
            20  C2y C    11.3928  -15.0210
            21  C7a C    12.8916  -15.3625
            22  O7a O    12.8875  -16.1083
            23  C1a C    13.6000  -15.7750
            24  O7a O    13.2625  -14.8375
            25  C1z C    17.6497  -14.1118
            26  C1y C    18.0826  -13.5322
            27  C1x C    18.2298  -14.5748
            28  C1y C    18.7553  -13.9626
            29  C1y C    19.2332  -13.4569
            30  C1x C    19.8541  -13.9309
            31  C1c C    19.4735  -12.6595
            32  C8y C    15.8320  -13.6889
            33  N4x N    16.5121  -14.6468
            34  C8y C    15.8328  -14.4089
            35  C8x C    15.2051  -13.3293
            36  C8x C    15.2051  -14.7769
            37  C8y C    14.5877  -13.6889
            38  C8y C    14.5877  -14.4089
            39  C8y C    16.9323  -14.0638
            40  C8y C    16.5246  -13.4784
            41  C1x C    16.7246  -12.7838
            42  C1x C    17.3893  -12.5117
            43  N1y N    18.0159  -12.8582
            44  C1x C    18.5333  -11.8875
            45  C7a C    17.4417  -14.8750
            46  O7a O    18.0041  -15.4333
            47  C1a C    17.7917  -16.2041
            48  O7a O    16.6709  -15.0792
            49  C1a C    20.2846  -12.4692
            50  O2a O    13.9666  -13.3333
            51  C1a C    13.3458  -13.6875
            52  O1a O    19.0500  -11.9375
            53  C1a C    11.2964  -17.2346
BOND        61
            1     6   7 1
            2     7   8 1
            3     8   9 1
            4    10   3 1
            5    12  13 2
            6    13  14 1
            7    14  15 2
            8    15  16 1
            9    16  17 2
            10   17  12 1
            11    4  18 1
            12    1   2 1
            13   18  19 1
            14    3   4 1
            15   19  20 1
            16   20   6 1
            17    1  20 2
            18    9  10 2
            19   10  13 1
            20    5  21 1
            21   12  11 1
            22   21  22 1
            23   27  28 1
            24   29  30 1
            25   25  26 1
            26   25  27 1
            27   26  29 1
            28   40  32 1
            29   39  33 1
            30   32  34 2
            31   32  35 1
            32   34  36 1
            33   35  37 2
            34   36  38 2
            35   33  34 1
            36   37  38 1
            37   39  40 2
            38   40  41 1
            39   39  25 1
            40   41  42 1
            41   42  43 1
            42   26  43 1
            43   43  44 1 #Up
            44   25  45 1 #Down
            45   45  46 1
            46   46  47 1
            47   45  48 2
            48   28  44 1 #Up
            49   28  30 1
            50   31  49 1
            51   29  31 1
            52   11   9 1
            53   22  23 1
            54    4   5 1 #Up
            55   37  50 1
            56   21  24 2
            57   50  51 1
            58   38   8 1
            59    6   5 1 #Up
            60   31  52 1 #Down
            61   18  53 1


entry: C09157
name: --- - Phorbol 12-tiglate 13-decanoate
formula: C35H52O8
kcf:
ATOM        43
            1   C1b C    15.5856  -12.2892
            2   C1b C    16.2987  -12.7064
            3   C1b C    17.0118  -12.2892
            4   C1b C    17.7214  -12.7064
            5   C1b C    18.4345  -12.2892
            6   C1b C    19.1476  -12.7064
            7   C1b C    19.8606  -12.2892
            8   C1b C    20.5744  -12.7064
            9   C1a C    21.2840  -12.2892
            10  C1z C    14.3008  -14.1184
            11  C1y C    14.3559  -14.9487
            12  C1y C    13.5567  -13.7529
            13  C1z C    15.0448  -14.4797
            14  O7a O    14.8828  -13.5364
            15  C1y C    13.6670  -15.4067
            16  C1y C    12.8677  -14.2150
            17  O7a O    13.5463  -12.9261
            18  C1a C    15.8407  -14.6901
            19  C1a C    15.7545  -14.0598
            20  C1z C    12.9228  -15.0418
            21  C2x C    13.8429  -16.2128
            22  C1a C    12.1270  -13.8495
            23  C1y C    12.1822  -15.3894
            24  O1a O    12.9159  -15.8653
            25  C2y C    13.3222  -16.8500
            26  C1z C    11.9891  -16.1887
            27  C2x C    11.4795  -14.9556
            28  C1x C    12.4953  -16.8431
            29  C5x C    11.1692  -16.2542
            30  O1a O    11.9822  -17.0155
            31  C2y C    10.8554  -15.4894
            32  O5x O    10.7347  -16.9569
            33  C1a C    10.0526  -15.2963
            34  C7a C    14.8750  -12.7084
            35  O7a O    14.1567  -12.3026
            36  C1b C    13.7368  -17.5631
            37  O1a O    14.5618  -17.5628
            38  C7a C    12.8267  -12.5226
            39  C2c C    12.8163  -11.6977
            40  O7a O    12.1174  -12.9440
            41  C1a C    13.5255  -11.2762
            42  C2b C    12.0967  -11.2942
            43  C1a C    12.0863  -10.4692
BOND        46
            1    10  11 1
            2    10  12 1
            3    10  13 1
            4    10  14 1 #Down
            5    11  15 1
            6    12  16 1
            7    12  17 1 #Up
            8    13  18 1
            9    13  19 1
            10   15  20 1
            11   15  21 1
            12   16  22 1 #Down
            13   20  23 1
            14   20  24 1 #Down
            15   21  25 2
            16   23  26 1
            17   23  27 1
            18   25  28 1
            19   26  29 1
            20   26  30 1 #Up
            21   27  31 2
            22   29  32 2
            23   31  33 1
            24   11  13 1
            25   16  20 1
            26   26  28 1
            27   29  31 1
            28    6   7 1
            29   14  34 1
            30   34   1 1
            31    7   8 1
            32   34  35 2
            33    8   9 1
            34   25  36 1
            35   36  37 1
            36   17  38 1
            37    1   2 1
            38   38  39 1
            39    2   3 1
            40   38  40 2
            41    3   4 1
            42   39  41 1
            43    4   5 1
            44   39  42 2
            45    5   6 1
            46   42  43 1


entry: C09158
name: --- - Calophyllolide
formula: C26H24O5
kcf:
ATOM        31
            1   C8y C     0.5379    0.0241
            2   C8y C     0.5345   -0.8000
            3   C8y C    -0.1793    0.4379
            4   C8y C     1.2552    0.4345
            5   C8y C    -0.1793   -1.2172
            6   O7x O     1.2483   -1.2207
            7   C8y C    -0.8966    0.0276
            8   O2x O    -0.1793    1.2655
            9   C8y C     1.2586    1.2621
            10  C8x C     1.9690    0.0172
            11  C8y C    -0.8966   -0.8034
            12  C5a C    -0.1759   -2.0448
            13  C8y C     1.9655   -0.8069
            14  C2x C    -1.6138    0.4379
            15  C1z C    -0.8966    1.6793
            16  C8x C     1.9759    1.6724
            17  C8x C     0.5379    1.6793
            18  O2a O    -1.6103   -1.2172
            19  C2c C    -0.8897   -2.4586
            20  O5a O     0.5414   -2.4517
            21  O7x O     2.6793   -1.2241
            22  C2x C    -1.6138    1.2655
            23  C1a C    -1.4724    2.3172
            24  C1a C    -0.5517    2.4000
            25  C8x C     1.9793    2.5000
            26  C8x C     0.5448    2.5069
            27  C1a C    -2.3241   -0.8069
            28  C2b C    -1.6035   -2.0483
            29  C1a C    -0.8862   -3.2828
            30  C8x C     1.2621    2.9172
            31  C1a C    -2.3172   -2.4655
BOND        34
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 2
            16    9  17 1
            17   11  18 1
            18   12  19 1
            19   12  20 2
            20   13  21 2
            21   14  22 2
            22   15  23 1
            23   15  24 1
            24   16  25 1
            25   17  26 2
            26   18  27 1
            27   19  28 2
            28   19  29 1
            29   25  30 2
            30   28  31 1
            31    7  11 1
            32   10  13 1
            33   15  22 1
            34   26  30 1


entry: C09159
name: --- - (+)-Pimaric acid - Dextropimaric acid
formula: C20H30O2
kcf:
ATOM        22
            1   C1y C     3.9855  -12.6016
            2   C1z C     3.9889  -11.7706
            3   C1z C     3.2717  -13.0120
            4   C1x C     4.6992  -13.0154
            5   C1y C     4.7061  -11.3568
            6   C1x C     3.2717  -11.3533
            7   C1a C     3.9820  -10.9430
            8   C1x C     2.5510  -12.6016
            9   C1x C     5.4165  -12.6051
            10  C2y C     5.4165  -11.7809
            11  C1x C     4.7130  -10.5326
            12  C1x C     2.5510  -11.7706
            13  C2x C     6.1372  -11.3706
            14  C1x C     5.4303  -10.1257
            15  C1z C     6.1441  -10.5430
            16  C1a C     6.1406   -9.7120
            17  C2b C     6.8542  -10.1250
            18  C2a C     7.5721  -10.5315
            19  C1a C     3.4833  -13.8042
            20  C6a C     2.8542  -13.7208
            21  O6a O     3.2604  -14.4389
            22  O6a O     2.0292  -13.7136
BOND        24
            1     2   7 1 #Up
            2     3   8 1
            3     4   9 1
            4     5  10 1
            5     5  11 1
            6     6  12 1
            7    10  13 2
            8    11  14 1
            9    13  15 1
            10   15  16 1 #Down
            11    8  12 1
            12    9  10 1
            13   14  15 1
            14   15  17 1 #Up
            15    1   2 1
            16   17  18 2
            17    1   3 1
            18    3  19 1 #Up
            19    1   4 1
            20    3  20 1 #Down
            21    2   5 1
            22   20  21 1
            23    2   6 1
            24   20  22 2


entry: C09160
name: --- - Ergine - Lysergamide
formula: C16H17N3O
kcf:
ATOM        20
            1   C8y C     5.0653  -13.7303
            2   C8x C     5.0677  -14.5344
            3   N4x N     3.6812  -14.5386
            4   C8y C     3.6787  -13.7345
            5   C8y C     4.3770  -13.3240
            6   C1y C     5.7578  -12.5189
            7   N1y N     6.4531  -12.1149
            8   C1a C     7.1490  -12.5107
            9   C2y C     5.0624  -12.1220
            10  C2x C     5.0603  -11.3188
            11  C1y C     5.7520  -10.9146
            12  C5a C     5.7520  -10.1146
            13  C1x C     6.4478  -11.3146
            14  C8x C     2.9750  -13.3292
            15  C8x C     2.9750  -12.5250
            16  C8x C     3.6745  -12.1250
            17  C8y C     4.3663  -12.5250
            18  C1x C     5.7613  -13.3231
            19  O5a O     6.4458   -9.7042
            20  N1a N     5.0542   -9.7083
BOND        23
            1     1   2 2
            2    11  12 1 #Up
            3    11  13 1
            4     6   7 1
            5     3   4 1
            6     7   8 1
            7    14  15 2
            8    15  16 1
            9    16  17 2
            10    4  14 1
            11    4   5 2
            12    5   1 1
            13    5  17 1
            14   17   9 1
            15    9   6 1
            16    6  18 1
            17   18   1 1
            18   13   7 1
            19    9  10 2
            20    2   3 1
            21   12  19 2
            22   10  11 1
            23   12  20 1


entry: C09161
name: --- - Pimelea factor P2 - Daphnopsis factor R1
formula: C37H50O9
kcf:
ATOM        46
            1   C1z C    17.2605  -14.2704
            2   C1y C    17.9487  -14.6145
            3   C1y C    16.5647  -14.5939
            4   O2x O    17.8725  -13.8398
            5   C1y C    17.2087  -13.5029
            6   C1y C    18.1177  -15.3579
            7   C1y C    18.5852  -14.1773
            8   C1z C    16.3861  -15.3372
            9   C1y C    15.9143  -14.1842
            10  C1z C    18.4517  -11.8609
            11  C1x C    17.8453  -13.0725
            12  C1a C    16.5171  -13.1615
            13  C1z C    17.6253  -15.9503
            14  O2x O    18.3408  -16.0328
            15  C1z C    18.5376  -13.4098
            16  O2x O    19.2883  -14.3960
            17  C1y C    16.8543  -15.9434
            18  C1y C    15.6220  -15.3958
            19  O1a O    16.1826  -16.0737
            20  C1y C    15.3254  -14.6870
            21  C1y C    15.0779  -13.5305
            22  O2x O    18.4891  -12.6457
            23  C1x C    18.4552  -11.0927
            24  C1b C    18.0073  -16.6109
            25  C2c C    19.1983  -13.0277
            26  O1a O    16.8509  -16.7074
            27  O7a O    15.4185  -16.1289
            28  C1a C    14.5889  -14.4939
            29  C1x C    15.0710  -12.7656
            30  C1a C    14.3172  -13.6332
            31  C1x C    17.6736  -10.8969
            32  O1a O    18.7714  -16.6109
            33  C1a C    19.1914  -12.2602
            34  C2a C    19.8555  -13.4064
            35  C7a C    14.7579  -16.5074
            36  C1x C    15.7281  -12.3871
            37  C1x C    17.1363  -11.4444
            38  C8y C    14.0965  -16.1254
            39  O7a O    14.7579  -17.2758
            40  C1x C    15.7281  -11.6230
            41  C1x C    16.3930  -11.2409
            42  C8x C    14.0931  -15.3648
            43  C8x C    13.4393  -16.5109
            44  C8x C    13.4290  -14.9862
            45  C8x C    12.7753  -16.1323
            46  C8x C    12.7719  -15.3717
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1
            20    9  21 1
            21   10  22 1
            22   10  23 1
            23   13  24 1 #Up
            24   15  25 1 #Up
            25   17  26 1 #Up
            26   18  27 1 #Up
            27   20  28 1 #Up
            28   21  29 1
            29   21  30 1 #Down
            30   23  31 1
            31   24  32 1
            32   25  33 1
            33   25  34 2
            34   27  35 1
            35   29  36 1
            36   31  37 1
            37   35  38 1
            38   35  39 2
            39   36  40 1
            40   37  41 1
            41   38  42 2
            42   38  43 1
            43   42  44 1
            44   43  45 2
            45   44  46 2
            46   10  16 1
            47   11  15 1
            48   13  14 1
            49   13  17 1
            50   15  22 1 #Down
            51   18  20 1
            52   40  41 1
            53   45  46 1


entry: C09162
name: --- - Ergocornine
formula: C31H39N5O5
kcf:
ATOM        41
            1   C1z C     7.0122  -10.5697
            2   N1y N     7.0087  -11.3448
            3   C1y C     7.6838  -10.1842
            4   O2x O     6.3294  -10.1842
            5   O1a O     7.0053   -9.7945
            6   C1y C     7.6769  -11.7379
            7   C5x C     5.6612  -11.3483
            8   N1y N     8.3522  -10.5732
            9   C1x C     7.6838   -9.4091
            10  C1z C     5.6612  -10.5697
            11  C5x C     8.3487  -11.3517
            12  C1c C     7.6735  -12.5130
            13  O5x O     5.1067  -11.9000
            14  C1x C     9.0238  -10.1911
            15  C1x C     9.0273   -9.4125
            16  N1b N     4.6688  -10.1393
            17  C1c C     5.6578   -9.7393
            18  O5x O     9.0238  -11.7448
            19  C1a C     8.3384  -12.9020
            20  C5a C     3.7944  -10.5594
            21  C1y C     3.7944  -11.3414
            22  O5a O     3.1151  -10.1738
            23  C2x C     3.1116  -11.7276
            24  C1x C     4.4626  -11.7276
            25  C2y C     3.1116  -12.5061
            26  N1y N     4.4626  -12.5061
            27  C8y C     2.4399  -12.8883
            28  C1y C     3.7944  -12.8951
            29  C1a C     5.1377  -12.8951
            30  C8y C     2.4399  -13.6703
            31  C8x C     1.7682  -12.5027
            32  C1x C     3.7875  -13.6772
            33  C8y C     3.1082  -14.0599
            34  C8y C     1.7648  -14.0599
            35  C8x C     1.0966  -12.8883
            36  C8x C     3.1082  -14.8350
            37  N4x N     1.7648  -14.8350
            38  C8x C     1.0966  -13.6703
            39  C1a C     7.0000  -12.8958
            40  C1a C     6.3625   -9.3250
            41  C1a C     4.9416   -9.3292
BOND        47
            1     2   6 1
            2     2   7 1
            3     3   8 1
            4     3   9 1
            5     4  10 1
            6     6  11 1
            7     6  12 1 #Down
            8     7  13 2
            9     8  14 1
            10    9  15 1
            11   10  16 1 #Down
            12   10  17 1 #Up
            13   11  18 2
            14   12  19 1
            15   16  20 1
            16   21  20 1 #Up
            17   20  22 2
            18   21  23 1
            19   21  24 1
            20   23  25 2
            21   24  26 1
            22   25  27 1
            23   25  28 1
            24   26  29 1
            25   27  30 1
            26   27  31 2
            27   28  32 1
            28   30  33 1
            29   30  34 2
            30   31  35 1
            31   33  36 2
            32   34  37 1
            33   34  38 1
            34    7  10 1
            35    8  11 1
            36   14  15 1
            37   26  28 1
            38   32  33 1
            39   35  38 2
            40   36  37 1
            41   12  39 1
            42    1   2 1
            43   17  40 1
            44    1   3 1
            45   17  41 1
            46    1   4 1
            47    1   5 1 #Down


entry: C09163
name: --- - Pisiferic acid
formula: C20H28O3
kcf:
ATOM        23
            1   C1z C    -0.6655   -0.3379
            2   C8y C     0.0517    0.0724
            3   C1y C    -0.6690   -1.1655
            4   C1x C    -1.3793    0.0759
            5   C6a C    -0.6724    0.4931
            6   C8y C     0.7655   -0.3448
            7   C8x C     0.0586    0.9000
            8   C1x C     0.0448   -1.5862
            9   C1z C    -1.3793   -1.5828
            10  C1x C    -2.1000   -0.3379
            11  O6a O    -1.3931    0.9069
            12  O6a O    -0.2621    1.2138
            13  C1x C     0.7655   -1.1724
            14  C8x C     1.4862    0.0621
            15  C8y C     0.7793    1.3103
            16  C1x C    -2.1000   -1.1655
            17  C1a C    -1.1724   -2.3828
            18  C1a C    -1.8035   -2.2931
            19  C8y C     1.4931    0.8897
            20  O1a O     0.7862    2.1379
            21  C1c C     2.2138    1.3000
            22  C1a C     2.9310    0.8759
            23  C1a C     2.2207    2.1276
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 1
            14    7  15 2
            15    9  16 1
            16    9  17 1
            17    9  18 1
            18   14  19 2
            19   15  20 1
            20   19  21 1
            21   21  22 1
            22   21  23 1
            23    8  13 1
            24   10  16 1
            25   15  19 1


entry: C09164
name: --- - Ergocristine
formula: C35H39N5O5
kcf:
ATOM        45
            1   C8x C     9.3740  -12.8931
            2   C8x C     9.3809  -13.6683
            3   C8x C     8.6982  -12.5027
            4   C8x C     8.7085  -14.0656
            5   C8y C     8.0292  -12.9000
            6   C8x C     8.0327  -13.6752
            7   C1z C     6.6956  -10.5613
            8   N1y N     6.6921  -11.3406
            9   C1y C     7.3714  -10.1676
            10  O2x O     6.0128  -10.1676
            11  O1a O     6.6887   -9.7779
            12  C1y C     7.3645  -11.7296
            13  C5x C     5.3404  -11.3441
            14  N1y N     8.0439  -10.5648
            15  C1x C     7.3714   -9.3924
            16  C1z C     5.3404  -10.5613
            17  C5x C     8.0404  -11.3475
            18  C1b C     7.3611  -12.5089
            19  O5x O     4.7776  -11.8958
            20  C1x C     8.7238  -10.1745
            21  C1x C     8.7273   -9.3958
            22  N1b N     4.3439  -10.1227
            23  C1c C     5.3370   -9.7268
            24  O5x O     8.7238  -11.7365
            25  C5a C     3.4569  -10.5510
            26  C1y C     3.4569  -11.3372
            27  O5a O     2.7776  -10.1572
            28  C2x C     2.7741  -11.7193
            29  C1x C     4.1293  -11.7193
            30  C2y C     2.7741  -12.5020
            31  N1y N     4.1293  -12.5020
            32  C8y C     2.0983  -12.8924
            33  C1y C     3.4569  -12.8992
            34  C1a C     4.8128  -12.8992
            35  C8y C     2.0983  -13.6745
            36  C8x C     1.4224  -12.4986
            37  C1x C     3.4500  -13.6814
            38  C8y C     2.7707  -14.0682
            39  C8y C     1.4190  -14.0682
            40  C8x C     0.7466  -12.8924
            41  C8x C     2.7707  -14.8475
            42  N4x N     1.4190  -14.8475
            43  C8x C     0.7466  -13.6745
            44  C1a C     4.6292   -9.3167
            45  C1a C     6.0333   -9.3125
BOND        52
            1     5   6 2
            2     1   2 1
            3     7   8 1
            4     7   9 1
            5     7  10 1
            6     7  11 1 #Down
            7     8  12 1
            8     8  13 1
            9     9  14 1
            10    9  15 1
            11   10  16 1
            12   12  17 1
            13   12  18 1 #Down
            14   13  19 2
            15   14  20 1
            16   15  21 1
            17   16  22 1 #Down
            18   16  23 1 #Up
            19   17  24 2
            20   22  25 1
            21   26  25 1 #Up
            22   25  27 2
            23   26  28 1
            24   26  29 1
            25   28  30 2
            26   29  31 1
            27   30  32 1
            28   30  33 1
            29   31  34 1
            30   32  35 1
            31   32  36 2
            32   33  37 1
            33   35  38 1
            34   35  39 2
            35   36  40 1
            36   38  41 2
            37   39  42 1
            38   39  43 1
            39   13  16 1
            40   14  17 1
            41   20  21 1
            42   31  33 1
            43   37  38 1
            44   40  43 2
            45   41  42 1
            46   18   5 1
            47    1   3 2
            48   23  44 1
            49    2   4 2
            50   23  45 1
            51    3   5 1
            52    4   6 1


entry: C09165
name: --- - Chalepensin - 3-(alpha,alpha-Dimethylallyl)psoralen
formula: C16H14O3
kcf:
ATOM        19
            1   C8y C    -0.4138    0.1931
            2   C8y C    -0.4276   -0.6276
            3   C8x C     0.3069    0.5931
            4   C8x C    -1.1241    0.6207
            5   C8x C    -1.1517   -1.0379
            6   O7x O     0.2793   -1.0552
            7   C8y C     1.0138    0.1690
            8   C8y C    -1.8483    0.2138
            9   C8y C    -1.8621   -0.6138
            10  C8y C     1.0000   -0.6517
            11  C1d C     1.7345    0.5724
            12  C8x C    -2.6276    0.4828
            13  O2x O    -2.6517   -0.8586
            14  O7x O     1.7138   -1.0828
            15  C2b C     2.4448    0.1483
            16  C1a C     2.2034    1.2828
            17  C1a C     1.3655    1.2828
            18  C8x C    -3.1241   -0.1793
            19  C2a C     3.1655    0.5483
BOND        21
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    8  12 1
            12    9  13 1
            13   10  14 2
            14   11  15 1
            15   11  16 1
            16   11  17 1
            17   12  18 2
            18   15  19 2
            19    7  10 1
            20    8   9 1
            21   13  18 1


entry: C09166
name: --- - Plaunol B
formula: C20H20O6
kcf:
ATOM        26
            1   C1y C     8.6189   -9.0492
            2   C8y C     8.6154   -8.2532
            3   C8x C     8.0125   -7.7201
            4   C8x C     9.3038   -7.8449
            5   C8x C     8.3388   -6.9903
            6   O2x O     9.1306   -7.0738
            7   C1z C     8.9075  -10.3739
            8   C7x C     9.6288   -9.9505
            9   O7x O     9.4532   -9.1314
            10  C1x C     8.2813   -9.8156
            11  C1y C     8.2112  -10.7709
            12  C2y C     9.6025  -10.7744
            13  C1z C     8.2147  -11.5738
            14  C1x C     7.5152  -10.3695
            15  C1x C     9.5990  -11.5807
            16  C2a C    10.2942  -10.3799
            17  C1y C     8.9065  -11.9752
            18  C2y C     7.5152  -11.9752
            19  C1x C     6.8193  -10.7709
            20  C2x C     6.8193  -11.5738
            21  C7x C     7.7291  -12.7875
            22  O7x O     8.6833  -12.7875
            23  O7x O    10.3541   -9.5250
            24  O7x O     7.2304  -13.4332
            25  C1b C     8.9167  -11.1583
            26  O1a O    10.0250  -11.1583
BOND        30
            1     2   4 2
            2     7   8 1 #Down
            3     8   9 1
            4     9   1 1
            5     1  10 1
            6     7  11 1
            7     7  12 1
            8    11  13 1
            9    11  14 1
            10   12  15 1
            11   12  16 2
            12   13  17 1
            13   13  18 1
            14   14  19 1
            15   18  20 2
            16   15  17 1
            17   19  20 1
            18    7  10 1 #Up
            19   18  21 1
            20    3   5 2
            21   17  22 1
            22   21  22 1
            23    4   6 1
            24    8  23 2
            25   21  24 2
            26    5   6 1
            27    1   2 1 #Up
            28   13  25 1 #Down
            29    2   3 1
            30   25  26 1


entry: C09167
name: --- - Ergosine
formula: C30H37N5O5
kcf:
ATOM        40
            1   C1z C     7.0205  -10.5197
            2   N1y N     7.0170  -11.2990
            3   C1y C     7.6963  -10.1301
            4   O2x O     6.3377  -10.1301
            5   O1a O     7.0136   -9.7404
            6   C1y C     7.6894  -11.6921
            7   C5x C     5.6653  -11.3025
            8   N1y N     8.3688  -10.5232
            9   C1x C     7.6963   -9.3508
            10  C1z C     5.6653  -10.5197
            11  C5x C     8.3653  -11.3059
            12  C1b C     7.6860  -12.4714
            13  O5x O     5.1067  -11.8542
            14  C1x C     9.0446  -10.1370
            15  C1x C     9.0481   -9.3542
            16  N1b N     4.6688  -10.0852
            17  C1a C     5.6619   -9.6852
            18  O5x O     9.0446  -11.6990
            19  C5a C     3.7860  -10.5094
            20  C1y C     3.7860  -11.2956
            21  O5a O     3.1067  -10.1197
            22  C2x C     3.1032  -11.6818
            23  C1x C     4.4584  -11.6818
            24  C2y C     3.1032  -12.4645
            25  N1y N     4.4584  -12.4645
            26  C8y C     2.4274  -12.8508
            27  C1y C     3.7860  -12.8576
            28  C1a C     5.1377  -12.8576
            29  C8y C     2.4274  -13.6370
            30  C8x C     1.7515  -12.4611
            31  C1x C     3.7791  -13.6439
            32  C8y C     3.0998  -14.0266
            33  C8y C     1.7481  -14.0266
            34  C8x C     1.0757  -12.8508
            35  C8x C     3.0998  -14.8059
            36  N4x N     1.7481  -14.8059
            37  C8x C     1.0757  -13.6370
            38  C1c C     7.0125  -12.8584
            39  C1a C     6.3416  -12.4709
            40  C1a C     7.0125  -13.6250
BOND        46
            1     2   6 1
            2     2   7 1
            3     3   8 1
            4     3   9 1
            5     4  10 1
            6     6  11 1
            7     6  12 1 #Down
            8     7  13 2
            9     8  14 1
            10    9  15 1
            11   10  16 1 #Down
            12   10  17 1 #Up
            13   11  18 2
            14   16  19 1
            15   20  19 1 #Up
            16   19  21 2
            17   20  22 1
            18   20  23 1
            19   22  24 2
            20   23  25 1
            21   24  26 1
            22   24  27 1
            23   25  28 1
            24   26  29 1
            25   26  30 2
            26   27  31 1
            27   29  32 1
            28   29  33 2
            29   30  34 1
            30   32  35 2
            31   33  36 1
            32   33  37 1
            33    7  10 1
            34    8  11 1
            35   14  15 1
            36   25  27 1
            37   31  32 1
            38   34  37 2
            39   35  36 1
            40   12  38 1
            41    1   2 1
            42   38  39 1
            43    1   3 1
            44   38  40 1
            45    1   4 1
            46    1   5 1 #Down


entry: C09168
name: --- - Plaunol D
formula: C20H22O7
kcf:
ATOM        27
            1   C1z C     4.8656  -13.3990
            2   C1y C     4.8622  -12.5865
            3   C2y C     4.1608  -13.8073
            4   C1y C     5.5712  -13.8073
            5   C1x C     5.5574  -12.9879
            6   C1z C     5.5712  -12.1858
            7   C1x C     4.1608  -12.1823
            8   C2x C     3.4552  -13.3990
            9   C1x C     6.2658  -13.4059
            10  O2x O     4.9457  -12.0996
            11  C2y C     6.2693  -12.5934
            12  C1b C     5.9720  -11.4733
            13  C1y C     5.3533  -11.3940
            14  C1y C     3.4552  -12.5865
            15  C2a C     6.9783  -12.1927
            16  C1c C     6.6707  -11.0656
            17  O1a O     5.3499  -10.5780
            18  O1a O     2.7572  -12.1823
            19  C8y C     6.6741  -10.2566
            20  O1a O     7.3721  -11.4698
            21  C8x C     6.0693   -9.7172
            22  C8x C     7.3721   -9.8448
            23  C8x C     6.3941   -8.9737
            24  O2x O     7.1997   -9.0538
            25  C7x C     4.3708  -14.6125
            26  O7x O     5.3500  -14.6125
            27  O7x O     3.8635  -15.2746
BOND        31
            1     1   4 1
            2     1   5 1 #Down
            3     2   6 1
            4     2   7 1
            5     3   8 2
            6     4   9 1
            7     5  10 1
            8     6  11 1
            9     6  12 1 #Up
            10    6  13 1
            11    7  14 1
            12   11  15 2
            13   12  16 1
            14   13  17 1
            15   14  18 1 #Up
            16   16  19 1
            17   16  20 1 #Up
            18   19  21 1
            19   19  22 2
            20   21  23 2
            21   22  24 1
            22    8  14 1
            23    9  11 1
            24   13  10 1 #Down
            25   23  24 1
            26    3  25 1
            27    1   2 1
            28    4  26 1
            29   25  26 1
            30    1   3 1
            31   25  27 2


entry: C09169
name: --- - Pleuromutilin
formula: C22H34O5
kcf:
ATOM        27
            1   C1z C     9.0957   -6.3569
            2   C1y C     8.5129   -6.9431
            3   C1y C     9.0957   -5.5259
            4   C1x C     9.8371   -6.7362
            5   C1x C     9.0922   -7.1810
            6   C1z C     7.6819   -6.9431
            7   C5x C     8.8853   -7.6845
            8   C1y C     8.5129   -4.9397
            9   C1a C     9.8612   -5.2086
            10  C1x C     9.7060   -7.5569
            11  C1x C     8.3055   -7.2012
            12  C1y C     7.0957   -6.3534
            13  C1y C     7.6784   -7.7707
            14  C1a C     7.1980   -7.6253
            15  O5x O     8.5095   -8.4224
            16  C1z C     7.6819   -4.9397
            17  O1a O     8.8267   -4.1741
            18  C1x C     7.0957   -5.5259
            19  O7a O     6.3267   -6.6741
            20  C1a C     7.4578   -8.5707
            21  C2b C     7.8957   -4.1362
            22  C1a C     7.3647   -4.1741
            23  C7a C     5.6095   -6.2569
            24  C2a C     7.6784   -3.3328
            25  C1b C     4.8922   -6.6741
            26  O7a O     5.6060   -5.4293
            27  O1a O     4.1750   -6.2569
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1 #Up
            13    6  14 1 #Down
            14    7  15 2
            15    8  16 1
            16    8  17 1 #Up
            17   12  18 1
            18   12  19 1 #Down
            19   13  20 1
            20   16  21 1 #Up
            21   16  22 1 #Down
            22   19  23 1
            23   21  24 2
            24   23  25 1
            25   23  26 2
            26   25  27 1
            27    7  10 1
            28   11  13 1
            29   16  18 1


entry: C09170
formula: C16H22N4O3
name:
--- 
- Eseramine
- Pyrrolo(2,3-b)indole-1(2H)-carboxamide, 3,3a,8,8a-tetrahydro-N,3a,8-trimethyl-5- (((methylamino)carbonyl)oxy)-, (3aS-cis)-

kcf:
ATOM        23
            1   C8y C     3.6750  -11.7125
            2   C8x C     3.6750  -12.5375
            3   C8x C     4.3912  -12.9500
            4   C8x C     4.3912  -11.3000
            5   C8y C     5.1032  -11.7125
            6   C8y C     5.1041  -12.5381
            7   N1y N     5.8896  -12.7924
            8   C1z C     5.8881  -11.4565
            9   C1y C     6.3778  -12.1258
            10  N1y N     7.1658  -11.8668
            11  C1x C     7.1629  -11.0375
            12  C1x C     6.3733  -10.7839
            13  O7a O     2.9625  -11.3000
            14  C7a C     2.2500  -11.7083
            15  C5a C     7.8750  -12.2792
            16  N1b N     1.5375  -11.2958
            17  C1a C     0.8250  -11.7042
            18  O7a O     2.2458  -12.5333
            19  C1a C     6.1000  -13.5875
            20  N1b N     8.5875  -11.8708
            21  C1a C     9.3000  -12.2833
            22  O5a O     7.8708  -13.1042
            23  C1a C     5.4708  -10.7375
BOND        25
            1    10  11 1
            2    11  12 1
            3    12   8 1
            4     2   3 2
            5     1  13 1
            6     5   6 2
            7    13  14 1
            8     6   7 1
            9    10  15 1
            10    7   9 1
            11   14  16 1
            12    8   5 1
            13   16  17 1
            14    3   6 1
            15   14  18 2
            16    5   4 1
            17    7  19 1
            18    4   1 2
            19   15  20 1
            20   20  21 1
            21    1   2 1
            22   15  22 2
            23    8   9 1
            24    8  23 1 #Up
            25    9  10 1


entry: C09171
name: --- - Podocarpic acid
formula: C17H22O3
kcf:
ATOM        20
            1   C1z C    16.2249  -14.0100
            2   C1y C    16.2214  -14.8376
            3   C8y C    16.9456  -13.5962
            4   C1x C    15.5076  -13.5928
            5   C1a C    16.2180  -13.1790
            6   C1z C    15.5076  -15.2514
            7   C1x C    16.9387  -15.2549
            8   C8y C    17.6594  -14.0169
            9   C8x C    16.9525  -12.7686
            10  C1x C    14.7870  -14.0100
            11  C1x C    14.7870  -14.8376
            12  C6a C    15.0870  -15.9686
            13  C1a C    15.7180  -16.0514
            14  C1x C    17.6594  -14.8445
            15  C8x C    18.3801  -13.6066
            16  C8y C    17.6732  -12.3652
            17  O6a O    14.2594  -15.9686
            18  O6a O    15.4973  -16.6859
            19  C8x C    18.3870  -12.7824
            20  O1a O    17.6801  -11.5342
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    6  11 1
            11    6  12 1 #Up
            12    6  13 1 #Down
            13    7  14 1
            14    8  15 1
            15    9  16 2
            16   12  17 2
            17   12  18 1
            18   15  19 2
            19   16  20 1
            20    8  14 1
            21   10  11 1
            22   16  19 1


entry: C09172
name: --- - Podolactone B
formula: C19H22O9
kcf:
ATOM        28
            1   C1z C     5.8167  -12.0212
            2   C1y C     5.8167  -12.8365
            3   C2y C     5.1117  -11.6068
            4   O2x O     6.5216  -12.4254
            5   C1y C     6.5284  -11.6206
            6   C1y C     5.1117  -13.2372
            7   C1z C     4.4076  -12.0143
            8   C2x C     5.1186  -10.7949
            9   O7x O     6.5353  -10.8053
            10  C1y C     4.4111  -12.8296
            11  C1y C     3.6992  -11.6068
            12  C1a C     4.3966  -11.1957
            13  C7x C     5.8305  -10.3908
            14  C1z C     3.6992  -13.2372
            15  C1y C     2.9944  -12.0143
            16  O2x O     2.9909  -11.1957
            17  O7x O     5.8374   -9.5721
            18  C1y C     2.9944  -12.8296
            19  C1a C     2.9875  -13.6372
            20  O1a O     2.1723  -12.8296
            21  O7x O     4.8917  -14.0333
            22  C7x C     3.9083  -14.0333
            23  O7x O     3.4007  -14.6953
            24  C1d C     7.2417  -12.0333
            25  C1b C     7.9625  -11.6167
            26  O1a O     8.6833  -12.0292
            27  O1a O     7.2375  -12.8667
            28  C1a C     7.9625  -12.4500
BOND        33
            1     6  10 1
            2     7  11 1
            3     7  12 1 #Up
            4     8  13 1
            5    10  14 1
            6    11  15 1
            7    11  16 1
            8    13  17 2
            9    14  18 1
            10   14  19 1 #Down
            11   18  20 1 #Up
            12    2   4 1 #Down
            13    7  10 1
            14    9  13 1
            15   15  16 1
            16   15  18 1
            17    6  21 1
            18    1   2 1
            19   14  22 1
            20   22  21 1
            21    1   3 1
            22   22  23 2
            23    1   4 1 #Down
            24    1   5 1
            25    5  24 1
            26    2   6 1
            27   24  25 1
            28    3   7 1
            29   25  26 1
            30    3   8 2
            31   24  27 1 #Up
            32    5   9 1
            33   24  28 1 #Down


entry: C09173
name: --- - Podolide
formula: C19H22O5
kcf:
ATOM        24
            1   C1z C     5.4172  -12.0190
            2   C1y C     5.4172  -12.8384
            3   C2y C     4.7082  -11.6079
            4   O2x O     6.1186  -12.4307
            5   C1y C     6.1255  -11.6182
            6   C1y C     4.7082  -13.2467
            7   C1z C     3.9922  -12.0121
            8   C2x C     4.7151  -10.7885
            9   O7x O     6.1324  -10.7988
            10  C1c C     6.8346  -12.0301
            11  C1y C     3.9957  -12.8349
            12  C1x C     3.2874  -11.6044
            13  C1a C     3.9853  -11.1927
            14  C7x C     5.4310  -10.3878
            15  C1a C     7.5395  -11.6113
            16  C1a C     6.8311  -12.8453
            17  C1z C     3.2874  -13.2467
            18  C2x C     2.5714  -12.0121
            19  O7x O     5.4379   -9.5615
            20  C2x C     2.5714  -12.8349
            21  C1a C     2.6997  -13.8240
            22  C7x C     3.5000  -14.0542
            23  O7x O     4.4833  -14.0542
            24  O7x O     2.9877  -14.7157
BOND        28
            1     1   4 1 #Down
            2     1   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 2
            6     5   9 1
            7     5  10 1 #Down
            8     6  11 1
            9     7  12 1
            10    7  13 1 #Up
            11    8  14 1
            12   10  15 1
            13   10  16 1
            14   11  17 1
            15   12  18 1
            16   14  19 2
            17   17  20 1
            18   17  21 1 #Down
            19    2   4 1 #Down
            20    7  11 1
            21    9  14 1
            22   18  20 2
            23   17  22 1
            24    1   2 1
            25    6  23 1
            26   22  23 1
            27    1   3 1
            28   22  24 2


entry: C09174
name: --- - Ponalactone A
formula: C19H22O6
kcf:
ATOM        25
            1   C1z C     4.4224  -12.0147
            2   C1y C     4.4259  -12.8299
            3   C1y C     3.7176  -11.6036
            4   C2y C     5.1301  -11.6070
            5   C1a C     4.4190  -11.1960
            6   C1z C     3.7176  -13.2375
            7   C1y C     5.1301  -13.2375
            8   C1y C     3.0057  -12.0147
            9   O2x O     3.0023  -11.1960
            10  C2y C     5.8349  -12.0216
            11  C2x C     5.1370  -10.7953
            12  C1y C     3.0057  -12.8299
            13  C1a C     3.1298  -13.8141
            14  C2x C     5.8349  -12.8367
            15  C1y C     6.5432  -11.6208
            16  C7x C     5.8487  -10.3911
            17  O1a O     2.1905  -12.8264
            18  O7x O     6.5501  -10.8056
            19  C1c C     7.2440  -12.0250
            20  O7x O     5.8453   -9.5690
            21  C1a C     7.9523  -11.6139
            22  C1a C     7.2405  -12.8436
            23  C7x C     3.9292  -14.0417
            24  O7x O     4.9125  -14.0417
            25  O7x O     3.4221  -14.6999
BOND        29
            1     1   4 1
            2     1   5 1 #Up
            3     2   6 1
            4     2   7 1
            5     3   8 1
            6     3   9 1
            7     4  10 1
            8     4  11 2
            9     6  12 1
            10    6  13 1 #Down
            11    7  14 1
            12   10  15 1
            13   11  16 1
            14   12  17 1 #Up
            15   15  18 1
            16   15  19 1 #Down
            17   16  20 2
            18   19  21 1
            19   19  22 1
            20    8   9 1
            21    8  12 1
            22   10  14 2
            23   16  18 1
            24    6  23 1
            25    1   2 1
            26    7  24 1
            27   23  24 1
            28    1   3 1
            29   23  25 2


entry: C09175
name: --- - Portulal
formula: C20H32O4
kcf:
ATOM        24
            1   C1z C    -0.5276   -1.2931
            2   C1y C    -0.5448   -0.4655
            3   C1x C     0.2621   -1.5276
            4   C1x C    -1.1655   -1.8241
            5   C4a C    -0.5345   -2.1207
            6   C1z C     0.2345   -0.1931
            7   C1x C    -1.2138    0.0379
            8   C1y C     0.7345   -0.8448
            9   C2y C    -1.9793   -1.6586
            10  O4a O     0.0483   -2.7069
            11  C1b C     0.2276    0.6379
            12  C1b C     0.9483    0.2310
            13  C1x C    -2.0138   -0.1655
            14  C1a C     1.5621   -0.8276
            15  C2x C    -2.3586   -0.9241
            16  C1a C    -2.4793   -2.3207
            17  C1b C     0.9345    1.0690
            18  O1a O     1.6655   -0.1862
            19  C2c C     0.9241    1.8931
            20  C2b C     1.6310    2.3138
            21  C1b C     0.2000    2.2931
            22  C1b C     1.6241    3.1379
            23  O1a O    -0.5172    1.8897
            24  O1a O     2.3414    3.5586
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1 #Up
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 1 #Down
            14    9  15 2
            15    9  16 1
            16   11  17 1
            17   12  18 1
            18   17  19 1
            19   19  20 2
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24    6   8 1
            25   13  15 1


entry: C09176
name: --- - Eseridine
formula: C15H21N3O3
kcf:
ATOM        21
            1   C8y C     5.5778  -11.7037
            2   C8y C     5.5394  -12.5320
            3   C8y C     4.1430  -11.6394
            4   C8x C     4.1071  -12.4678
            5   C8x C     4.8087  -12.9153
            6   C8x C     4.8807  -11.2585
            7   O7a O     3.4450  -11.1963
            8   C7a C     2.7112  -11.5731
            9   N1y N     6.3131  -12.8304
            10  C1y C     6.8305  -12.1836
            11  C1z C     6.3808  -11.4877
            12  O2x O     7.6557  -12.1309
            13  N1y N     8.0246  -11.3893
            14  C1x C     7.5643  -10.7005
            15  C1x C     6.7391  -10.7533
            16  C1a C     5.9012  -10.8093
            17  C1a C     6.5232  -13.6286
            18  N1b N     2.0125  -11.1292
            19  C1a C     1.2792  -11.5042
            20  O7a O     2.7042  -12.4000
            21  C1a C     8.8500  -11.3875
BOND        23
            1     2   9 1
            2     9  10 1
            3     1   6 1
            4     6   3 2
            5     3   7 1
            6    10  12 1
            7    12  13 1
            8    13  14 1
            9    14  15 1
            10   15  11 1
            11    1   2 2
            12   11  16 1 #Down
            13    7   8 1
            14    9  17 1
            15    3   4 1
            16    4   5 2
            17    8  18 1
            18    5   2 1
            19   18  19 1
            20   10  11 1
            21    8  20 2
            22   11   1 1
            23   13  21 1


entry: C09177
name: --- - Premarrubiin
formula: C20H28O4
kcf:
ATOM        24
            1   C1z C     5.3853  -11.8251
            2   C1z C     4.6694  -12.2328
            3   O2x O     6.0419  -11.3341
            4   C1x C     4.7142  -11.3478
            5   C1y C     6.0902  -12.2362
            6   C1y C     4.6728  -13.0522
            7   C1x C     3.9569  -11.8217
            8   C1a C     5.3784  -12.6445
            9   C1z C     5.7792  -10.5560
            10  C1x C     4.9598  -10.5629
            11  C1x C     6.0868  -13.0591
            12  C1a C     6.7993  -11.8217
            13  C1y C     5.3853  -13.4639
            14  C1z C     3.9569  -13.4639
            15  C1x C     3.2486  -12.2328
            16  C2x C     5.5267   -9.7746
            17  C1x C     6.5986  -10.5560
            18  C1x C     3.2486  -13.0522
            19  C1a C     3.3727  -14.0447
            20  C2x C     6.1868   -9.3014
            21  O2x O     6.8510   -9.7746
            22  C7x C     4.1708  -14.2708
            23  O7x O     5.1625  -14.2708
            24  O7x O     3.6591  -14.9328
BOND        28
            1     1   4 1 #Up
            2     1   5 1
            3     2   6 1
            4     2   7 1
            5     2   8 1 #Up
            6     9   3 1 #Down
            7     4  10 1
            8     5  11 1
            9     5  12 1 #Down
            10    6  13 1
            11    6  14 1
            12    7  15 1
            13    9  16 1
            14    9  17 1
            15   14  18 1
            16   14  19 1 #Down
            17   16  20 2
            18   17  21 1
            19    9  10 1 #Up
            20   11  13 1
            21   15  18 1
            22   20  21 1
            23   14  22 1
            24    1   2 1
            25   13  23 1
            26   22  23 1
            27    1   3 1 #Down
            28   22  24 2


entry: C09178
name: --- - Resiniferonol
formula: C20H28O6
kcf:
ATOM        26
            1   C1y C    15.6217  -15.4242
            2   C1z C    16.3182  -15.0587
            3   C1z C    15.3837  -16.2139
            4   C2x C    14.9458  -14.9484
            5   C1y C    17.0665  -15.4277
            6   C1y C    16.2630  -14.2277
            7   O1a O    16.3113  -15.8829
            8   C1x C    15.8906  -16.8725
            9   C5x C    14.5596  -16.2277
            10  O1a O    15.1685  -16.9582
            11  C2y C    14.2872  -15.4484
            12  C1y C    17.7596  -14.9622
            13  C2x C    17.2458  -16.2346
            14  C1x C    16.9561  -13.7656
            15  C1a C    15.5217  -13.8622
            16  C2y C    16.7182  -16.8760
            17  O5x O    14.0803  -16.9105
            18  C1a C    13.4975  -15.2070
            19  C1z C    17.7044  -14.1311
            20  O1a O    18.5596  -15.1760
            21  C1b C    17.0734  -17.6242
            22  O1a O    17.9010  -17.6208
            23  C2c C    18.3893  -13.6712
            24  C2a C    19.1301  -14.0344
            25  C1a C    18.3833  -12.8458
            26  O1a O    17.7000  -13.3042
BOND        28
            1     2   5 1
            2     2   6 1
            3     2   7 1 #Down
            4     3   8 1
            5     3   9 1
            6     3  10 1 #Up
            7     4  11 2
            8     5  12 1
            9     5  13 1
            10    6  14 1
            11    6  15 1 #Down
            12    8  16 1
            13    9  17 2
            14   11  18 1
            15   12  19 1
            16   12  20 1 #Down
            17   16  21 1
            18   21  22 1
            19    9  11 1
            20   13  16 2
            21   14  19 1
            22   19  23 1 #Up
            23    1   2 1
            24   23  24 2
            25    1   3 1
            26   23  25 1
            27    1   4 1
            28   19  26 1 #Down


entry: C09179
name: --- - Resiniferatoxin
formula: C37H40O9
kcf:
ATOM        46
            1   C8y C    17.7887  -17.7522
            2   C8y C    18.4459  -17.3509
            3   C8x C    17.8079  -18.5250
            4   C8x C    19.1183  -17.7182
            5   O2a O    18.4267  -16.5824
            6   C8x C    18.4825  -18.8893
            7   C8y C    19.1404  -18.4891
            8   C1a C    19.0792  -16.1733
            9   O1a O    19.8187  -18.8593
            10  C1z C    14.1095  -15.6858
            11  C1y C    14.8087  -16.0306
            12  C1y C    13.4936  -16.0341
            13  O2x O    14.7360  -15.2177
            14  C1y C    14.0578  -14.9113
            15  C1y C    15.4522  -15.5969
            16  C2x C    14.9735  -16.7809
            17  C1z C    13.2350  -16.7568
            18  C2x C    12.8737  -15.5727
            19  C1z C    15.3901  -13.2832
            20  C1x C    14.7053  -14.4845
            21  C1a C    13.3902  -14.5259
            22  C1z C    15.3970  -14.8217
            23  O2x O    16.0718  -15.8246
            24  C2y C    14.4846  -17.3725
            25  C1x C    13.7136  -17.3656
            26  C5x C    12.4675  -16.7395
            27  O1a O    13.2316  -17.5277
            28  C2y C    12.2510  -16.0065
            29  O2x O    15.3935  -14.0542
            30  C1b C    15.3866  -12.5122
            31  C2c C    16.0652  -14.4328
            32  O5x O    12.0027  -17.3518
            33  C1a C    11.5213  -15.7547
            34  C8y C    14.7156  -12.1302
            35  C1a C    16.0617  -13.6652
            36  C2a C    16.7259  -14.8217
            37  C8x C    14.7156  -11.3672
            38  C8x C    14.0474  -12.5156
            39  C8x C    14.0405  -10.9861
            40  C8x C    13.3833  -12.1371
            41  C8x C    13.3764  -11.3672
            42  C1b C    15.1500  -17.7542
            43  O7a O    15.8125  -17.3708
            44  C7a C    16.4750  -17.7500
            45  C1b C    17.1333  -17.3708
            46  O7a O    16.4750  -18.5149
BOND        52
            1     6   7 2
            2     1   2 1
            3     1   3 2
            4    10  11 1
            5    10  12 1
            6    10  13 1 #Down
            7    10  14 1
            8    11  15 1
            9    11  16 1
            10   12  17 1
            11   12  18 1
            12   13  19 1
            13   14  20 1
            14   14  21 1 #Down
            15   15  22 1
            16   15  23 1 #Down
            17   16  24 2
            18   17  25 1
            19   17  26 1
            20   17  27 1 #Up
            21   18  28 2
            22   19  29 1
            23   19  30 1
            24   22  31 1 #Up
            25   26  32 2
            26   28  33 1
            27   30  34 1
            28   31  35 1
            29   31  36 2
            30   34  37 2
            31   34  38 1
            32   37  39 1
            33   38  40 2
            34   39  41 2
            35   19  23 1
            36   20  22 1
            37   22  29 1 #Down
            38   24  25 1
            39   26  28 1
            40   40  41 1
            41    2   4 2
            42    2   5 1
            43   24  42 1
            44    3   6 1
            45   42  43 1
            46    4   7 1
            47   43  44 1
            48    5   8 1
            49   44  45 1
            50    7   9 1
            51   44  46 2
            52   45   1 1


entry: C09180
name: --- - Rhodojaponin IV
formula: C24H38O8
kcf:
ATOM        32
            1   C1z C    16.3273  -14.1795
            2   C1y C    17.1011  -14.4237
            3   C1y C    16.1522  -13.3928
            4   C1x C    15.8156  -14.8092
            5   C1y C    17.6947  -13.8776
            6   O7a O    17.3523  -15.4085
            7   C1z C    15.4275  -13.0357
            8   C1x C    16.7466  -12.8468
            9   C1y C    15.0082  -14.8057
            10  C1x C    17.5203  -13.0908
            11  C1y C    14.7538  -13.3928
            12  C1z C    14.5097  -14.1665
            13  O7a O    15.0013  -15.6098
            14  C1x C    14.0945  -12.9261
            15  C1z C    13.7022  -14.1726
            16  O1a O    14.5028  -14.9705
            17  C1y C    13.4407  -13.4066
            18  C1a C    13.6918  -14.9843
            19  C1a C    12.9982  -14.5712
            20  O1a O    12.6712  -13.1701
            21  C1x C    16.5375  -14.9625
            22  C1z C    17.9042  -14.6541
            23  C1a C    18.6833  -14.8625
            24  O1a O    18.1125  -15.4334
            25  C7a C    16.9458  -16.1083
            26  C1a C    17.3541  -16.8042
            27  O7a O    16.1375  -16.1091
            28  C7a C    14.6000  -16.3042
            29  C1a C    15.0042  -17.0041
            30  O7a O    13.7916  -16.3051
            31  C1a C    15.6333  -12.2500
            32  O1a O    15.2083  -12.2500
BOND        35
            1    12  15 1
            2    12  16 1 #Up
            3    14  17 1
            4    15  18 1
            5    15  19 1
            6    17  20 1 #Up
            7     8  10 1
            8    11  12 1
            9    15  17 1
            10    1  21 1 #Up
            11    1   2 1
            12    5  22 1 #Up
            13   21  22 1
            14    1   3 1
            15   22  23 1 #Up
            16    1   4 1
            17   22  24 1 #Down
            18    2   5 1
            19    6  25 1
            20    2   6 1 #Up
            21   25  26 1
            22    3   7 1
            23   25  27 2
            24    3   8 1
            25   13  28 1
            26    4   9 1
            27   28  29 1
            28    5  10 1
            29   28  30 2
            30    7  11 1
            31    9  12 1
            32    7  31 1 #Up
            33    9  13 1 #Up
            34    7  32 1 #Down
            35   11  14 1


entry: C09181
name: --- - Chartreusin
formula: C32H32O14
kcf:
ATOM        46
            1   C8y C     3.9391   -9.9934
            2   C8y C     4.6438   -9.5853
            3   C8y C     3.9427  -10.8091
            4   C8y C     3.2277   -9.5841
            5   C8y C     5.3492   -9.9912
            6   C8y C     4.6432   -8.7714
            7   C8y C     3.2375  -11.2248
            8   O7x O     4.6527  -11.2136
            9   C8y C     2.5195   -9.9982
            10  C8y C     3.2258   -8.7655
            11  C8y C     5.3545  -10.8038
            12  C8y C     6.0522   -9.5861
            13  O7x O     3.9370   -8.3532
            14  C8x C     5.3526   -8.3621
            15  C8y C     2.5244  -10.8185
            16  C8y C     3.2423  -12.0452
            17  O1a O     1.8081   -9.5889
            18  O7x O     2.5144   -8.3563
            19  O7x O     6.0676  -11.2101
            20  C8x C     6.0580   -8.7679
            21  C1a C     6.7636   -9.9954
            22  C8x C     1.8162  -11.2326
            23  O2a O     3.9584  -12.4531
            24  C8x C     2.5342  -12.4592
            25  C8x C     1.8211  -12.0529
            26  C1y C     3.9549  -13.4275
            27  C1y C     4.6731  -13.8247
            28  O2x O     3.2523  -13.8526
            29  O2a O     5.3787  -13.4013
            30  C1y C     4.6904  -14.6442
            31  C1y C     3.2666  -14.6703
            32  C1y C     6.2006  -12.9131
            33  C1y C     3.9878  -15.0694
            34  C1a C     2.5653  -15.1002
            35  C1y C     6.9166  -13.3210
            36  O2x O     6.1987  -12.0945
            37  O1a O     4.0033  -15.8918
            38  C1y C     7.6248  -12.9070
            39  O1a O     6.9215  -14.1414
            40  C1y C     6.9039  -11.6787
            41  C1y C     7.6199  -12.0866
            42  O2a O     8.3397  -13.3103
            43  C1a C     6.9020  -10.8601
            44  O1a O     8.3282  -11.6726
            45  C1a C     8.3445  -14.1306
            46  O1a O     5.4133  -15.0418
BOND        52
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    7  15 2
            15    7  16 1
            16    9  17 1
            17   10  18 2
            18   11  19 2
            19   12  20 2
            20   12  21 1
            21   15  22 1
            22   16  23 1
            23   16  24 2
            24   22  25 2
            25   26  23 1 #Up
            26   26  27 1
            27   26  28 1
            28   27  29 1 #Down
            29   27  30 1
            30   28  31 1
            31   32  29 1 #Up
            32   30  33 1
            33   31  34 1 #Up
            34   32  35 1
            35   32  36 1
            36   33  37 1 #Up
            37   35  38 1
            38   35  39 1 #Up
            39   36  40 1
            40   38  41 1
            41   38  42 1 #Down
            42   40  43 1 #Down
            43   41  44 1 #Down
            44   42  45 1
            45    8  11 1
            46    9  15 1
            47   10  13 1
            48   14  20 1
            49   24  25 1
            50   31  33 1
            51   40  41 1
            52   30  46 1 #Up


entry: C09182
name: --- - Royleanone
formula: C20H28O3
kcf:
ATOM        23
            1   C2y C    -0.0966    0.1276
            2   C1z C    -0.8138   -0.2828
            3   C2y C     0.6172   -0.2897
            4   C5x C    -0.0897    0.9552
            5   C1y C    -0.8207   -1.1103
            6   C1x C    -1.5276    0.1310
            7   C1a C    -0.8241    0.5483
            8   C5x C     1.3379    0.1138
            9   C1x C     0.6172   -1.1172
            10  C2y C     0.6310    1.3621
            11  O5x O    -0.8034    1.3759
            12  C1x C    -0.1034   -1.5310
            13  C1z C    -1.5276   -1.5276
            14  C1x C    -2.2483   -0.2828
            15  C2y C     1.3448    0.9414
            16  O5x O     2.0552   -0.3034
            17  O1a O     0.6379    2.1931
            18  C1x C    -2.2483   -1.1103
            19  C1a C    -1.3172   -2.3276
            20  C1a C    -1.7517   -2.3276
            21  C1c C     2.0655    1.3517
            22  C1a C     2.7828    0.9310
            23  C1a C     2.0724    2.1828
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    8  15 1
            15    8  16 2
            16   10  17 1
            17   13  18 1
            18   13  19 1
            19   13  20 1
            20   15  21 1
            21   21  22 1
            22   21  23 1
            23    9  12 1
            24   10  15 2
            25   14  18 1


entry: C09183
name: --- - Sclareol
formula: C20H36O2
kcf:
ATOM        22
            1   C1y C    -0.8000   -0.8759
            2   C1z C    -0.7966   -0.0483
            3   C1x C    -0.0897   -1.2931
            4   C1z C    -1.5138   -1.2897
            5   C1y C    -0.0828    0.3655
            6   C1x C    -1.5138    0.3690
            7   C1a C    -0.8069    0.7793
            8   C1x C     0.6310   -0.8828
            9   C1x C    -2.2345   -0.8759
            10  C1a C    -1.3069   -2.0897
            11  C1a C    -1.9379   -2.0069
            12  C1z C     0.6310   -0.0552
            13  C1b C    -0.0759    1.1931
            14  C1x C    -2.2345   -0.0483
            15  C1a C     1.3448   -0.4655
            16  O1a O     1.3517    0.3586
            17  C1b C     0.6448    1.5966
            18  C1d C     1.3586    1.1793
            19  C2b C     2.0793    1.5862
            20  C1a C     1.9448    0.5931
            21  O1a O     0.6379    0.7724
            22  C2a C     2.7897    1.1690
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14   12  15 1 #Up
            15   12  16 1 #Down
            16   13  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 1 #Up
            20   18  21 1 #Down
            21   19  22 2
            22    8  12 1
            23    9  14 1


entry: C09184
name: --- - Shikodonin
formula: C20H26O6
kcf:
ATOM        26
            1   C1y C     5.1178  -11.6194
            2   C1z C     4.4199  -12.0255
            3   C1z C     5.8087  -12.0255
            4   C1y C     5.1247  -10.8112
            5   C1y C     3.7145  -12.4276
            6   C1x C     4.4199  -12.8337
            7   C1x C     4.4165  -11.2098
            8   C1x C     6.5142  -11.6263
            9   C7x C     5.8122  -12.8337
            10  C1x C     5.8191  -10.4085
            11  O1a O     4.4268  -10.3982
            12  C1z C     3.0201  -12.0318
            13  C1y C     3.5600  -13.2116
            14  O7x O     5.1178  -13.2358
            15  C1x C     3.7111  -10.8147
            16  C1y C     6.5177  -10.8216
            17  O7x O     6.5142  -13.2358
            18  C1x C     3.0132  -11.2167
            19  C1x C     2.4284  -12.5751
            20  C1a C     2.2292  -11.8186
            21  O2x O     2.7656  -13.3082
            22  O1a O     4.1103  -13.8033
            23  C2y C     7.2167  -11.2250
            24  C5x C     6.5125  -12.4292
            25  C2a C     8.0061  -11.0189
            26  O5x O     7.0875  -13.0042
BOND        30
            1     2   5 1
            2     2   6 1 #Down
            3     2   7 1
            4     3   8 1
            5     3   9 1
            6     4  10 1
            7     4  11 1 #Down
            8     5  12 1
            9     5  13 1
            10    6  14 1
            11    7  15 1
            12    8  16 1
            13    9  17 2
            14   12  18 1
            15   12  19 1
            16   12  20 1 #Up
            17   13  21 1
            18   13  22 1 #Up
            19    9  14 1
            20   10  16 1
            21   15  18 1
            22   19  21 1
            23   16  23 1 #Up
            24    1   2 1
            25    3  24 1 #Up
            26   24  23 1
            27    1   3 1
            28   23  25 2
            29    1   4 1
            30   24  26 2


entry: C09185
name: --- - Simplexin
formula: C30H44O8
kcf:
ATOM        38
            1   C1z C    14.3480  -15.0534
            2   C1y C    15.0293  -15.3872
            3   C1y C    13.7322  -15.3906
            4   O2x O    15.0017  -14.5853
            5   C1y C    14.2962  -14.2970
            6   C1y C    15.1975  -16.1264
            7   C1y C    15.6616  -14.9680
            8   C1z C    13.4915  -16.1099
            9   C2x C    13.1309  -14.9370
            10  C1z C    15.6038  -12.7013
            11  C1x C    14.9293  -13.8742
            12  C1a C    13.6260  -13.9598
            13  C1z C    14.7163  -16.7078
            14  O2x O    15.4241  -16.7902
            15  C1z C    15.6141  -14.2073
            16  O2x O    16.3961  -15.3027
            17  C1y C    13.9598  -16.7078
            18  C5x C    12.7385  -16.0961
            19  O1a O    13.3255  -16.8212
            20  C2y C    12.5116  -15.3734
            21  O2x O    15.6072  -13.4543
            22  C1b C    15.6003  -11.9448
            23  C1b C    15.0837  -17.3615
            24  C2c C    16.2602  -13.8294
            25  O1a O    13.9564  -17.4615
            26  O5x O    12.2848  -16.7009
            27  C1a C    11.7958  -15.1293
            28  C1b C    16.2499  -11.5594
            29  O1a O    15.8409  -17.3615
            30  C1a C    16.2568  -13.0764
            31  C2a C    16.9139  -14.2039
            32  C1b C    16.9036  -11.9379
            33  C1b C    17.5600  -11.5559
            34  C1b C    18.2103  -11.9379
            35  C1b C    18.8641  -11.5525
            36  C1b C    19.5102  -11.9310
            37  C1b C    20.1639  -11.5490
            38  C1a C    20.8280  -11.9310
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 2
            20   10  21 1
            21   10  22 1
            22   13  23 1 #Up
            23   15  24 1 #Up
            24   17  25 1 #Up
            25   18  26 2
            26   20  27 1
            27   22  28 1
            28   23  29 1
            29   24  30 1
            30   24  31 2
            31   28  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   10  16 1
            39   11  15 1
            40   13  14 1
            41   13  17 1
            42   15  21 1 #Down
            43   18  20 1


entry: C09186
name: --- - Sorgolactone
formula: C18H20O5
kcf:
ATOM        23
            1   O2a O    16.3065  -14.5122
            2   C1y C    16.9789  -14.9984
            3   C2x C    17.1893  -15.7949
            4   O7x O    17.6686  -14.5535
            5   C2y C    18.0134  -15.8363
            6   C7x C    18.3099  -15.0673
            7   C1a C    18.4651  -16.5329
            8   O7x O    19.1099  -14.8535
            9   C1y C    14.4478  -12.7937
            10  C1y C    14.9341  -13.4662
            11  C2y C    13.6651  -13.0489
            12  O7x O    14.9375  -12.1248
            13  C2y C    15.7237  -13.2075
            14  C1x C    14.4478  -14.1248
            15  C2y C    13.6651  -13.8731
            16  C1y C    12.9478  -12.6317
            17  C7x C    15.7237  -12.3799
            18  C1x C    12.9478  -14.2903
            19  C1x C    12.2272  -13.0455
            20  O7x O    16.3927  -11.8972
            21  C1x C    12.2272  -13.8731
            22  C2b C    16.3917  -13.6916
            23  C1a C    12.9417  -11.8042
BOND        26
            1     5   6 1
            2     1   2 1
            3     2   3 1
            4     2   4 1
            5     3   5 2
            6     4   6 1
            7     5   7 1
            8     9  10 1
            9     9  11 1
            10    9  12 1
            11   10  13 1
            12   10  14 1
            13   11  15 2
            14   11  16 1
            15   12  17 1
            16   15  18 1
            17   16  19 1
            18   17  20 2
            19   18  21 1
            20   13  17 1
            21   14  15 1
            22   19  21 1
            23    6   8 2
            24   13  22 2
            25   22   1 1
            26   16  23 1 #Down


entry: C09187
name: --- - Evodiamine
formula: C19H17N3O
kcf:
ATOM        23
            1   C8x C     1.8243  -12.2314
            2   C8x C     1.8333  -13.0355
            3   C8x C     2.5192  -11.8153
            4   C8y C     3.2232  -12.2159
            5   C8y C     3.2560  -13.0159
            6   C8x C     2.5663  -13.4193
            7   C1x C     5.0252  -10.9808
            8   C1x C     4.2311  -11.1235
            9   C5x C     6.3928  -11.4083
            10  N1y N     5.5644  -11.5561
            11  C1y C     5.2795  -12.3519
            12  N1y N     5.8226  -12.9971
            13  C8y C     6.9401  -12.0534
            14  C8y C     6.6558  -12.8428
            15  C8x C     7.1960  -13.4786
            16  C8x C     8.0204  -13.3332
            17  C8x C     8.3046  -12.5438
            18  C8x C     7.7645  -11.9039
            19  C1a C     5.5250  -13.7948
            20  O5x O     6.6706  -10.6085
            21  C8y C     4.4954  -12.4920
            22  C8y C     3.9566  -11.8914
            23  N4x N     4.0889  -13.1856
BOND        27
            1     9  10 1
            2    10  11 1
            3    11  12 1
            4    12  14 1
            5     5   6 1
            6     2   6 2
            7     4   3 1
            8    10   7 1
            9     7   8 1
            10    8  22 1
            11   13  14 2
            12   14  15 1
            13   15  16 2
            14   16  17 1
            15   17  18 2
            16   18  13 1
            17   11  21 1
            18   12  19 1
            19    3   1 2
            20    9  20 2
            21    4   5 2
            22    1   2 1
            23   21  22 2
            24   22   4 1
            25    5  23 1
            26   23  21 1
            27   13   9 1


entry: C09188
name: --- - Spruceanol
formula: C20H28O2
kcf:
ATOM        22
            1   C8y C     0.1069    0.3897
            2   C1z C    -0.6103   -0.0172
            3   C8y C     0.8207   -0.0276
            4   C8x C     0.1138    1.2172
            5   C1y C    -0.6138   -0.8483
            6   C1x C    -1.3276    0.3931
            7   C1a C    -0.6207    0.8103
            8   C8y C     1.5414    0.3793
            9   C1x C     0.8207   -0.8552
            10  C8y C     0.8345    1.6276
            11  C1x C     0.1000   -1.2690
            12  C1z C    -1.3276   -1.2655
            13  C1x C    -2.0483   -0.0172
            14  C8y C     1.5483    1.2069
            15  C2b C     2.2552   -0.0310
            16  O1a O     0.8414    2.4552
            17  C1y C    -2.0483   -0.8483
            18  C1a C    -1.1207   -2.0655
            19  C1a C    -1.7483   -1.9759
            20  C1a C     2.2724    1.6172
            21  C2a C     2.9690    0.3862
            22  O1a O    -2.7655   -1.2655
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 2
            14    8  15 1
            15   10  16 1
            16   12  17 1
            17   12  18 1
            18   12  19 1
            19   14  20 1
            20   15  21 2
            21   17  22 1 #Down
            22    9  11 1
            23   10  14 1
            24   13  17 1


entry: C09189
name: --- - Stevioside
formula: C38H60O18
kcf:
ATOM        56
            1   O7a O    13.3381  -23.1449
            2   C1y C    12.6273  -23.5629
            3   O2x O    11.9155  -23.1644
            4   C1y C    12.6435  -24.3838
            5   C1y C    11.2144  -23.5751
            6   C1y C    11.9335  -24.7935
            7   O1a O    13.3583  -24.7840
            8   C1y C    11.2199  -24.3980
            9   C1b C    10.4996  -23.1749
            10  O1a O    11.9442  -25.6155
            11  O1a O    10.5145  -24.8151
            12  O1a O     9.7996  -23.5949
            13  C1z C    15.5412  -20.4039
            14  C1y C    14.8455  -19.9849
            15  C1x C    16.2549  -19.9995
            16  C1x C    15.5412  -21.2197
            17  C1z C    14.1319  -20.3970
            18  C1x C    14.8489  -19.1691
            19  C1z C    16.2659  -19.1836
            20  C1x C    14.8386  -21.6234
            21  C1y C    14.1250  -21.2163
            22  C1x C    13.4217  -19.9815
            23  C1a C    14.1250  -19.5777
            24  C1x C    15.5592  -18.7689
            25  O2a O    16.2589  -18.3428
            26  C1z C    13.4222  -21.6232
            27  C1x C    12.7073  -20.3970
            28  C1y C    16.9997  -17.8636
            29  C1x C    12.7073  -21.2163
            30  C1y C    17.0031  -17.0478
            31  O2x O    17.7141  -18.2750
            32  O2a O    16.2964  -16.6364
            33  C1y C    17.7141  -16.6433
            34  C1y C    18.4202  -17.8705
            35  C1y C    16.2895  -15.8172
            36  C1y C    18.4202  -17.0478
            37  O1a O    17.7210  -15.8207
            38  C1b C    19.1303  -18.2819
            39  O2x O    16.9887  -15.4024
            40  C1y C    15.5759  -15.4135
            41  O1a O    19.1303  -16.6433
            42  O1a O    19.8371  -17.8781
            43  C1y C    16.9852  -14.5832
            44  C1y C    15.5724  -14.5942
            45  O1a O    14.8656  -15.8276
            46  C1y C    16.2716  -14.1830
            47  C1b C    17.6996  -14.1795
            48  O1a O    14.8587  -14.2032
            49  O1a O    16.2681  -13.3704
            50  C1x C    16.2458  -20.8083
            51  C2y C    16.9708  -19.5958
            52  C2a C    17.7654  -19.3894
            53  C1a C    13.6584  -22.4542
            54  C7a C    13.0066  -22.3484
            55  O7a O    12.1816  -22.3511
            56  O1a O    17.7072  -13.3546
BOND        62
            1     2   1 1 #Up
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Down
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1 #Up
            10    8  11 1 #Down
            11   13  14 1
            12   13  15 1
            13   13  16 1
            14   14  17 1
            15   14  18 1
            16   15  19 1
            17   16  20 1
            18   17  21 1
            19   17  22 1
            20   17  23 1 #Down
            21   18  24 1
            22   19  25 1 #Down
            23   21  26 1
            24   22  27 1
            25   28  25 1 #Up
            26   26  29 1
            27   28  30 1
            28   28  31 1
            29   30  32 1 #Down
            30   30  33 1
            31   31  34 1
            32   35  32 1 #Up
            33   33  36 1
            34   33  37 1 #Up
            35   34  38 1 #Up
            36   35  39 1
            37   35  40 1
            38   36  41 1 #Down
            39   38  42 1
            40   39  43 1
            41   40  44 1
            42   40  45 1 #Down
            43   43  46 1
            44   43  47 1 #Up
            45   44  48 1 #Up
            46   46  49 1 #Down
            47   19  24 1
            48   20  21 1
            49   27  29 1
            50   34  36 1
            51   44  46 1
            52   13  50 1 #Up
            53   19  51 1 #Up
            54   50  51 1
            55   51  52 2
            56   26  53 1 #Up
            57   26  54 1 #Down
            58   54   1 1
            59    9  12 1
            60   54  55 2
            61    6   8 1
            62   47  56 1


entry: C09190
name: --- - Strigol
formula: C19H22O6
kcf:
ATOM        25
            1   C1y C    11.2448   -8.4402
            2   C2y C    10.4621   -8.7023
            3   C1y C    11.7345   -9.1023
            4   O7x O    11.7207   -7.7678
            5   C2y C    10.4690   -9.5299
            6   C1z C     9.7483   -8.2850
            7   C2y C    12.5172   -8.8402
            8   C1x C    11.2586   -9.7747
            9   C7x C    12.5103   -8.0161
            10  C1y C     9.7483   -9.9436
            11  C1x C     9.0276   -8.7023
            12  C1a C     9.3241   -7.5712
            13  C1a C    10.1469   -7.5517
            14  C2b C    13.2310   -9.2540
            15  O7x O    13.1759   -7.5195
            16  C1x C     9.0276   -9.5333
            17  O1a O     9.7483  -10.7747
            18  O2a O    13.2310  -10.0816
            19  C1y C    13.9485  -10.5020
            20  C2x C    14.2064  -11.2815
            21  O7x O    14.6119  -10.0143
            22  C2y C    15.0315  -11.2752
            23  C7x C    15.2764  -10.4912
            24  C1a C    15.5265  -11.9413
            25  O7x O    16.0623  -10.2291
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    9  15 2
            15   10  16 1
            16   10  17 1 #Up
            17   14  18 1
            18   19  18 1 #Down
            19   19  20 1
            20   19  21 1
            21   20  22 2
            22   21  23 1
            23   22  24 1
            24   23  25 2
            25    5   8 1
            26    7   9 1
            27   11  16 1
            28   22  23 1


entry: C09191
name: --- - Fruticosonine
formula: C20H28N2O
kcf:
ATOM        23
            1   C8y C     2.9046  -13.1134
            2   C8y C     3.6977  -12.8616
            3   C8y C     2.9012  -13.9444
            4   C8x C     2.1943  -12.6961
            5   C8x C     4.1839  -13.5341
            6   C1b C     4.1012  -12.1375
            7   N4x N     3.6908  -14.2030
            8   C8x C     2.1943  -14.3547
            9   C8x C     1.4736  -13.1134
            10  C1b C     4.9288  -12.1306
            11  C8x C     1.4736  -13.9444
            12  N1b N     5.3426  -12.8444
            13  C1d C     6.1702  -12.8375
            14  C1y C     6.5805  -12.1168
            15  C1a C     6.8839  -13.2513
            16  C1a C     5.9529  -13.6375
            17  C1x C     7.4115  -12.1168
            18  C1x C     6.1633  -11.3996
            19  C5x C     7.8219  -11.3996
            20  C1x C     6.5805  -10.6823
            21  C1y C     7.4115  -10.6823
            22  O5x O     8.6529  -11.3961
            23  C1a C     7.8184   -9.9582
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     6  10 1
            10    8  11 2
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   21  23 1 #Up
            23    5   7 1
            24    9  11 1
            25   20  21 1


entry: C09192
name: --- - Synaptolepis factor K1
formula: C36H54O8
kcf:
ATOM        44
            1   C1z C     6.1319  -12.6273
            2   C1y C     6.8125  -12.9569
            3   C1y C     5.4720  -12.9466
            4   O2x O     6.7815  -12.2391
            5   C1y C     6.0802  -11.8639
            6   C1y C     6.9738  -13.6996
            7   C1y C     7.4414  -12.5307
            8   C1z C     5.2762  -13.6754
            9   C1y C     4.8362  -12.5307
            10  C1z C     7.3862  -10.2697
            11  C1x C     6.7091  -11.4419
            12  C1a C     5.4203  -11.4792
            13  C1z C     6.4926  -14.2802
            14  O2x O     7.2421  -14.4001
            15  C1z C     7.3897  -11.7784
            16  C1y C     5.7436  -14.2767
            17  C5x C     4.5169  -13.7099
            18  O1a O     5.2693  -14.4311
            19  C1y C     4.2522  -13.0052
            20  O2x O     7.3862  -11.0262
            21  C2x C     7.3828   -9.5139
            22  C1b C     6.8669  -14.9297
            23  C2c C     8.0392  -11.3971
            24  O1a O     5.7367  -15.0255
            25  O5x O     4.1046  -14.3415
            26  C1a C     3.5275  -12.8094
            27  C2x C     6.7263   -9.1361
            28  O1a O     7.6234  -14.9297
            29  C1a C     8.0358  -10.6372
            30  C2a C     8.6922  -11.7750
            31  C1x C     6.0733   -9.5139
            32  C1x C     5.4203   -9.1361
            33  C1x C     4.7680   -9.5139
            34  C1x C     4.1184   -9.1361
            35  C1x C     2.1594   -9.5139
            36  C1x C     3.4654   -9.5139
            37  C1x C     2.8124   -9.1361
            38  O2x O     8.0917  -12.9042
            39  C1x C     4.6208  -11.7458
            40  C1x C     3.8375  -11.5333
            41  C1x C     3.4292  -10.8292
            42  C1x C     2.3500  -10.2333
            43  C1x C     1.8208  -10.7625
            44  C1x C     2.3458  -11.2875
BOND        50
            1     3   8 1
            2     3   9 1
            3     4  10 1
            4     5  11 1
            5     5  12 1 #Down
            6     6  13 1
            7     6  14 1
            8     7  15 1
            9     8  16 1
            10    8  17 1
            11    8  18 1 #Up
            12    9  19 1
            13   10  20 1
            14   10  21 1
            15   13  22 1 #Up
            16   15  23 1 #Up
            17   16  24 1 #Up
            18   17  25 2
            19   19  26 1 #Up
            20   21  27 2
            21   22  28 1
            22   23  29 1
            23   23  30 2
            24   27  31 1
            25   31  32 1
            26   32  33 1
            27   33  34 1
            28   34  36 1
            29   35  37 1
            30   11  15 1
            31   13  14 1
            32   13  16 1
            33   15  20 1 #Down
            34   17  19 1
            35   36  37 1
            36    7  38 1 #Down
            37   10  38 1
            38    1   2 1
            39    9  39 1
            40    1   3 1
            41   39  40 1
            42    1   4 1 #Down
            43    1   5 1
            44   35  42 1
            45    2   6 1
            46   42  43 1
            47    2   7 1
            48   43  44 1
            49   44  41 1
            50   41  40 1


entry: C09193
name: --- - Gabunamine
formula: C42H50N4O5
kcf:
ATOM        51
            1   C1z C     6.7445  -13.0742
            2   C1y C     7.1732  -12.4947
            3   C1x C     7.3204  -13.5372
            4   C1y C     7.8459  -12.9250
            5   C1y C     8.3280  -12.4194
            6   C1x C     8.9448  -12.8933
            7   C1b C     8.5642  -11.6219
            8   C8y C     4.9268  -12.6514
            9   N4x N     5.6027  -13.6092
            10  C8y C     4.9276  -13.3713
            11  C8x C     4.2999  -12.2918
            12  C8x C     4.2999  -13.7393
            13  C8y C     3.6784  -12.6514
            14  C8y C     3.6784  -13.3713
            15  C8y C     6.0271  -13.0262
            16  C8y C     5.6152  -12.4409
            17  C1x C     5.8194  -11.7462
            18  C1x C     6.4800  -11.4741
            19  N1y N     7.1065  -11.8206
            20  C1x C     7.6281  -10.8499
            21  C7a C     6.5324  -13.8374
            22  O7a O     7.0947  -14.3999
            23  C1a C     6.8865  -15.1666
            24  O7a O     5.7657  -14.0416
            25  C1a C     9.3752  -11.4316
            26  O2a O     3.0573  -13.7291
            27  C1a C     2.4406  -13.3707
            28  C1y C     3.0531  -12.2916
            29  C2b C     4.7662   -9.9093
            30  C1a C     5.0882  -10.6658
            31  C1x C     1.8401  -10.5870
            32  C1y C     2.5172  -10.1077
            33  C1y C     3.3332  -10.2476
            34  C1y C     3.8067  -10.9208
            35  C1x C     3.6652  -11.7329
            36  C8y C     2.1683  -12.0751
            37  C8y C     1.6987  -11.3991
            38  N4x N     1.6714  -12.7362
            39  C8y C     0.8889  -12.4624
            40  C8y C     0.9087  -11.6405
            41  C8x C     0.2037  -11.2177
            42  C8x C    -0.5211  -11.6128
            43  C8x C    -0.5409  -12.4348
            44  C8x C     0.1641  -12.8617
            45  N1x N     2.6223   -9.2831
            46  C1x C     3.4407   -9.1653
            47  C2y C     3.9484   -9.8143
            48  C7a C     3.0200  -11.0141
            49  O7a O     2.2498  -10.7000
            50  C1a C     2.1472  -11.5210
            51  O7a O     3.2292  -11.8125
BOND        59
            1     7  25 1
            2     5   7 1 #Up
            3     3   4 1
            4    14  26 1
            5     5   6 1
            6    26  27 1
            7     1   2 1
            8    13  28 1
            9     1   3 1
            10    2   5 1
            11   29  30 1
            12   16   8 1
            13   15   9 1
            14    8  10 2
            15    8  11 1
            16   10  12 1
            17   31  32 1
            18   32  33 1 #Up
            19   34  33 1 #Up
            20   34  35 1
            21   37  31 1
            22   11  13 2
            23   12  14 2
            24    9  10 1
            25   36  37 2
            26   37  40 1
            27   39  38 1
            28   38  36 1
            29   13  14 1
            30   15  16 2
            31   16  17 1
            32   15   1 1
            33   17  18 1
            34   18  19 1
            35   39  40 2
            36   40  41 1
            37   41  42 2
            38   42  43 1
            39   43  44 2
            40   44  39 1
            41    2  19 1
            42   32  45 1
            43   19  20 1 #Up
            44   45  46 1
            45    1  21 1 #Down
            46   46  47 1
            47   47  34 1
            48   29  47 2
            49   21  22 1
            50   33  48 1
            51   22  23 1
            52   48  49 1
            53   21  24 2
            54   49  50 1
            55   35  28 1
            56   28  36 1
            57    4  20 1 #Up
            58    4   6 1
            59   48  51 2


entry: C09194
name: --- - Taxodione
formula: C20H26O3
kcf:
ATOM        23
            1   C1z C    -0.7103   -0.1966
            2   C2y C     0.0069    0.2138
            3   C1y C    -0.7138   -1.0276
            4   C1x C    -1.4241    0.2172
            5   C1a C    -0.7172    0.6310
            6   C2y C     0.7207   -0.2034
            7   C2y C     0.0138    1.0414
            8   C5x C     0.0000   -1.4448
            9   C1z C    -1.4241   -1.4414
            10  C1x C    -2.1448   -0.1966
            11  C2x C     1.4414    0.2000
            12  C2x C     0.7207   -1.0310
            13  C5x C     0.7345    1.4483
            14  O1a O    -0.6966    1.4621
            15  O5x O    -0.0034   -2.2759
            16  C1x C    -2.1448   -1.0276
            17  C1a C    -1.2172   -2.2414
            18  C1a C    -1.8517   -2.1552
            19  C2y C     1.4483    1.0276
            20  O5x O     0.7414    2.2793
            21  C1c C     2.1690    1.4379
            22  C1a C     2.8828    1.0172
            23  C1a C     2.1759    2.2690
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 1
            14    8  15 2
            15    9  16 1
            16    9  17 1
            17    9  18 1
            18   11  19 2
            19   13  20 2
            20   19  21 1
            21   21  22 1
            22   21  23 1
            23    8  12 1
            24   10  16 1
            25   13  19 1


entry: C09195
name: --- - Gabunine
formula: C42H50N4O5
kcf:
ATOM        51
            1   C2b C    -0.4323  -11.4806
            2   C1a C     0.0755  -10.8636
            3   C1x C     1.4655  -13.7074
            4   C1y C     0.7499  -13.3343
            5   C1y C     0.5029  -12.5665
            6   C1y C     0.8691  -11.8499
            7   C1x C     1.6344  -11.6145
            8   C1y C     2.3500  -11.9792
            9   C8y C     2.6011  -12.7534
            10  C8y C     2.2307  -13.4636
            11  N4x N     3.3967  -12.8821
            12  C8y C     3.5173  -13.6845
            13  C8y C     2.7953  -14.0365
            14  C8x C     2.7443  -14.8325
            15  C8x C     3.4152  -15.2849
            16  C8x C     4.1288  -14.9288
            17  C8x C     4.1840  -14.1327
            18  N1x N    -0.0097  -13.6161
            19  C1x C    -0.4820  -12.9610
            20  C2y C    -0.1489  -12.2252
            21  C7a C     1.3083  -12.5625
            22  O7a O     1.3042  -13.3708
            23  C1a C     1.9958  -12.9625
            24  O7a O     1.7125  -11.8583
            25  C1z C     6.1164  -11.3118
            26  C1y C     6.5576  -10.7198
            27  C1x C     6.7090  -11.7873
            28  C1y C     7.2428  -11.1585
            29  C1y C     7.7332  -10.6445
            30  C1x C     8.3667  -11.1268
            31  C1b C     7.9777   -9.8303
            32  C8y C     4.2612  -10.8806
            33  N4x N     4.9538  -11.8551
            34  C8y C     4.2620  -11.6173
            35  C8x C     3.6218  -10.5127
            36  C8x C     3.6218  -11.9894
            37  C8y C     2.9878  -10.8806
            38  C8y C     2.9878  -11.6173
            39  C8y C     5.3865  -11.2638
            40  C8y C     4.9663  -10.6660
            41  C1x C     5.1746   -9.9588
            42  C1x C     5.8519   -9.6784
            43  N1y N     6.4909  -10.0332
            44  C1x C     7.0208   -9.0417
            45  C7a C     5.9043  -12.0917
            46  O7a O     6.4750  -12.6625
            47  C1a C     6.2626  -13.4500
            48  O7a O     5.1167  -12.3000
            49  C1a C     8.8055   -9.6359
            50  O2a O     2.3542  -10.5167
            51  C1a C     1.7250  -10.8792
BOND        59
            1    21  24 2
            2     6   5 1 #Up
            3     6   7 1
            4     7   8 1
            5     8   9 1
            6    10   3 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  16 1
            11   16  17 2
            12   17  12 1
            13    4  18 1
            14    1   2 1
            15   18  19 1
            16    3   4 1
            17   19  20 1
            18   20   6 1
            19    1  20 2
            20    9  10 2
            21   10  13 1
            22    5  21 1
            23   12  11 1
            24   21  22 1
            25   27  28 1
            26   29  30 1
            27   25  26 1
            28   25  27 1
            29   26  29 1
            30   40  32 1
            31   39  33 1
            32   32  34 1
            33   32  35 2
            34   34  36 2
            35   35  37 1
            36   36  38 1
            37   33  34 1
            38   37  38 2
            39   39  40 2
            40   40  41 1
            41   39  25 1
            42   41  42 1
            43   42  43 1
            44   26  43 1
            45   43  44 1 #Up
            46   25  45 1 #Down
            47   45  46 1
            48   46  47 1
            49   45  48 2
            50   28  44 1 #Up
            51   28  30 1
            52   31  49 1
            53   29  31 1 #Up
            54   11   9 1
            55   22  23 1
            56   37  50 1
            57    4   5 1 #Up
            58   50  51 1
            59   38   8 1


entry: C09196
name: --- - Taxodone
formula: C20H28O3
kcf:
ATOM        23
            1   C1z C    -0.7103   -0.1966
            2   C2y C     0.0069    0.2138
            3   C1y C    -0.7138   -1.0276
            4   C1x C    -1.4241    0.2172
            5   C1a C    -0.7172    0.6310
            6   C2y C     0.7207   -0.2034
            7   C2y C     0.0138    1.0379
            8   C1y C     0.0000   -1.4448
            9   C1z C    -1.4241   -1.4414
            10  C1x C    -2.1448   -0.1966
            11  C2x C     1.4414    0.2000
            12  C2x C     0.7207   -1.0310
            13  C5x C     0.7345    1.4483
            14  O1a O    -0.6966    1.4621
            15  O1a O    -0.0069   -2.2724
            16  C1x C    -2.1448   -1.0276
            17  C1a C    -1.8483   -2.1552
            18  C1a C    -1.2172   -2.2414
            19  C2y C     1.4483    1.0276
            20  O5x O     0.7414    2.2793
            21  C1c C     2.1690    1.4379
            22  C1a C     2.8862    1.0172
            23  C1a C     2.1759    2.2690
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 1
            14    8  15 1 #Down
            15    9  16 1
            16    9  17 1
            17    9  18 1
            18   11  19 2
            19   13  20 2
            20   19  21 1
            21   21  22 1
            22   21  23 1
            23    8  12 1
            24   10  16 1
            25   13  19 1


entry: C09197
name: --- - Geissoschizoline
formula: C19H26N2O
kcf:
ATOM        22
            1   C8y C     4.1063  -12.5051
            2   C8y C     4.0858  -13.3048
            3   C8x C     2.7284  -12.4780
            4   C8x C     2.7104  -13.2737
            5   C8x C     3.3924  -13.6851
            6   C8x C     3.4285  -12.0938
            7   C1y C     6.1251  -12.7764
            8   C1y C     6.4337  -12.0415
            9   C1x C     5.9570  -11.4085
            10  C1y C     5.1624  -11.5079
            11  N1y N     4.5610  -10.9858
            12  C1x C     3.8814  -11.3987
            13  C1x C     4.0640  -12.1710
            14  C1y C     6.7313  -11.3054
            15  C1x C     5.1911  -10.5014
            16  C1y C     5.3357  -12.8741
            17  C1z C     4.8555  -12.2466
            18  N1x N     4.8854  -13.5275
            19  C1b C     6.3997  -13.5194
            20  O1a O     7.1818  -13.6554
            21  C1b C     7.4167  -11.7000
            22  C1a C     7.4125  -12.4959
BOND        26
            1    10  11 1
            2    11  12 1
            3    12  13 1
            4    17  13 1 #Up
            5     8  14 1
            6     1   2 2
            7    11  15 1
            8    15  14 1
            9     3   4 1
            10   16   7 1
            11    7   8 1
            12   16  17 1
            13   17   1 1
            14    2  18 1
            15   18  16 1
            16    8   9 1
            17    7  19 1 #Down
            18    9  10 1
            19   19  20 1
            20    4   5 2
            21   14  21 1 #Up
            22    5   2 1
            23   21  22 1
            24    1   6 1
            25    6   3 2
            26   17  10 1


entry: C09198
name: --- - Terpenoid EA-I - Excoecariatoxin - Simplexin, 22,23,24,25-tetradehydro-
formula: C30H40O8
kcf:
ATOM        38
            1   C1z C    15.0484  -15.7947
            2   C1y C    15.7339  -16.1361
            3   C1y C    14.4277  -16.1395
            4   O2x O    15.7029  -15.4126
            5   C1y C    14.9967  -15.0299
            6   C1y C    15.9029  -16.8802
            7   C1y C    16.3746  -15.7085
            8   C1z C    14.1802  -16.8629
            9   C2x C    13.8147  -15.6809
            10  C1z C    16.3159  -13.4176
            11  C1x C    15.6305  -14.6065
            12  C1a C    14.3311  -14.6471
            13  C1z C    15.4167  -17.4725
            14  O2x O    16.1329  -17.5482
            15  C1z C    16.3263  -14.9436
            16  O2x O    16.9742  -15.9342
            17  C1y C    14.6518  -17.4656
            18  C5x C    13.4189  -16.8491
            19  O1a O    14.0100  -17.5409
            20  C2y C    13.1982  -16.1189
            21  O2x O    16.3194  -14.1823
            22  C2b C    16.2849  -12.6561
            23  C1b C    15.6133  -18.2064
            24  C2c C    16.9807  -14.5582
            25  O1a O    14.6449  -18.2236
            26  O5x O    12.9637  -17.4587
            27  C1a C    12.4747  -15.8740
            28  C2b C    16.9255  -12.2492
            29  O1a O    16.3780  -18.2064
            30  C1a C    16.9773  -13.7961
            31  C2a C    17.6387  -14.9402
            32  C2b C    16.9014  -11.4948
            33  C2b C    17.5428  -11.0887
            34  C1b C    17.5186  -10.3359
            35  C1b C    18.1766   -9.9617
            36  C1b C    18.8345  -10.3310
            37  C1b C    19.4958   -9.9520
            38  C1a C    20.1572  -10.3262
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 2
            20   10  21 1
            21   10  22 1
            22   13  23 1 #Up
            23   15  24 1 #Up
            24   17  25 1 #Up
            25   18  26 2
            26   20  27 1
            27   22  28 2
            28   23  29 1
            29   24  30 1
            30   24  31 2
            31   28  32 1
            32   32  33 2
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   10  16 1
            39   11  15 1
            40   13  14 1
            41   13  17 1
            42   15  21 1 #Down
            43   18  20 1


entry: C09200
name: --- - Geissospermine
formula: C40H48N4O3
kcf:
ATOM        47
            1   C8y C    17.9344  -17.3579
            2   C8y C    17.8767  -18.1617
            3   C8x C    18.5429  -18.6135
            4   C8x C    19.2666  -18.2615
            5   C8x C    19.3242  -17.4577
            6   C8x C    18.6622  -17.0059
            7   C1y C    14.6817  -14.0602
            8   N1y N    14.2000  -14.7186
            9   C1y C    15.9230  -13.3832
            10  C1x C    15.5315  -12.6676
            11  C1z C    14.2026  -13.3988
            12  C1y C    14.7139  -12.6499
            13  N1y N    14.1815  -12.0298
            14  C1x C    13.4306  -12.3431
            15  C1x C    13.4936  -13.1551
            16  C1y C    16.3337  -12.6793
            17  C1x C    14.8906  -11.6338
            18  C1y C    14.6660  -15.4556
            19  O2x O    15.4730  -15.4647
            20  C1x C    15.8844  -14.7715
            21  C1y C    15.4887  -14.0693
            22  C1c C    14.2440  -16.1556
            23  C1y C    14.6395  -16.8642
            24  C2y C    14.2198  -17.5649
            25  C1x C    14.6180  -18.2733
            26  C1x C    15.4520  -16.8766
            27  C1y C    15.8474  -17.5894
            28  N1y N    15.4290  -18.2795
            29  C1x C    15.8183  -18.9863
            30  C1x C    16.6260  -19.0032
            31  C7a C    13.4256  -16.1442
            32  O7a O    13.0082  -16.7596
            33  C1a C    12.1934  -16.7504
            34  C8y C    13.4235  -14.4684
            35  C8y C    13.4249  -13.6521
            36  C8x C    12.7154  -13.2426
            37  C8x C    12.0130  -13.6497
            38  C8x C    12.0116  -14.4661
            39  C8x C    12.7127  -14.8755
            40  C8y C    16.6556  -17.6083
            41  C8y C    17.0452  -18.3112
            42  N4x N    17.2061  -17.0181
            43  O7a O    13.0245  -15.4339
            44  C1b C    17.0375  -13.0834
            45  C1a C    17.0334  -13.9001
            46  C2b C    13.4947  -17.9548
            47  C1a C    12.7930  -17.5208
BOND        56
            1    23  24 1
            2    24  25 1
            3    25  28 1
            4    27  26 1
            5    26  23 1
            6     1   2 2
            7     2   3 1
            8    11  12 1
            9    27  28 1
            10   28  29 1
            11   29  30 1
            12   30  41 1
            13   40  27 1
            14   12  13 1
            15   22  31 1 #Up
            16   13  14 1
            17   31  32 1
            18   14  15 1
            19   32  33 1
            20    7  11 1
            21    9  16 1
            22   11  35 1
            23   13  17 1
            24   17  16 1
            25   34   8 1
            26    8   7 1
            27   34  35 2
            28   35  36 1
            29   36  37 2
            30   37  38 1
            31   38  39 2
            32   39  34 1
            33    3   4 2
            34    4   5 1
            35    8  18 1
            36   40  41 2
            37   41   2 1
            38    1  42 1
            39   42  40 1
            40   18  19 1
            41   31  43 2
            42   19  20 1
            43   16  44 1 #Up
            44   20  21 1
            45   44  45 1
            46   21   7 1
            47   21   9 1
            48   18  22 1
            49    9  10 1
            50   22  23 1
            51   10  12 1
            52    5   6 2
            53   24  46 2
            54    6   1 1
            55   46  47 1
            56   11  15 1 #Up


entry: C09201
name: --- - Tinyatoxin
formula: C36H38O8
kcf:
ATOM        44
            1   O7a O     5.3750  -14.6958
            2   C7a C     6.0315  -15.0779
            3   C1b C     6.6921  -14.6992
            4   O7a O     6.0280  -15.8413
            5   C8y C     7.3417  -15.0779
            6   C8x C     8.0057  -14.6992
            7   C8x C     7.3486  -15.8413
            8   C8x C     8.6664  -15.0779
            9   C8x C     8.0057  -16.2233
            10  C8y C     8.6698  -15.8413
            11  O1a O     9.3263  -16.2233
            12  C1z C     3.6895  -13.0335
            13  C1y C     4.3805  -13.3665
            14  C1y C     3.0772  -13.3699
            15  O2x O     4.3460  -12.6445
            16  C1y C     3.6378  -12.2659
            17  C1y C     5.0204  -12.9439
            18  C2x C     4.5460  -14.1134
            19  C1z C     2.8262  -14.0927
            20  C2x C     2.4648  -12.9163
            21  C1z C     4.9583  -10.6530
            22  C1x C     4.2777  -11.8432
            23  C1a C     2.9565  -11.9363
            24  C1z C     4.9617  -12.1805
            25  C2y C     4.0605  -14.6974
            26  C1x C     3.2971  -14.6940
            27  C5x C     2.0663  -14.0789
            28  O1a O     2.8193  -14.8560
            29  C2y C     1.8421  -13.3458
            30  O2x O     4.9617  -11.4164
            31  C1b C     4.9549   -9.8931
            32  C2c C     5.6259  -11.7949
            33  O5x O     1.6049  -14.6836
            34  C1a C     1.1167  -13.1017
            35  C8y C     4.2949   -9.5145
            36  C1a C     5.6224  -11.0316
            37  C2a C     6.2823  -12.1805
            38  C8x C     4.2915   -8.7635
            39  C8x C     3.6344   -9.9034
            40  C8x C     3.6240   -8.3837
            41  C8x C     2.9737   -9.5214
            42  C8x C     2.9703   -8.7684
            43  O2x O     5.6792  -13.3208
            44  C1b C     4.7167  -15.0750
BOND        50
            1     9  10 1
            2     1   2 1
            3     2   3 1
            4     2   4 2
            5     3   5 1
            6     5   6 2
            7     5   7 1
            8     6   8 1
            9     7   9 2
            10   12  13 1
            11   12  14 1
            12   12  15 1 #Down
            13   12  16 1
            14   13  17 1
            15   13  18 1
            16   14  19 1
            17   14  20 1
            18   15  21 1
            19   16  22 1
            20   16  23 1 #Down
            21   17  24 1
            22   18  25 2
            23   19  26 1
            24   19  27 1
            25   19  28 1 #Up
            26   20  29 2
            27   21  30 1
            28   21  31 1
            29   24  32 1 #Up
            30   27  33 2
            31   29  34 1
            32   31  35 1
            33   32  36 1
            34   32  37 2
            35   35  38 1
            36   35  39 2
            37   38  40 2
            38   39  41 1
            39   40  42 1
            40   22  24 1
            41   24  30 1 #Down
            42   25  26 1
            43   27  29 1
            44   41  42 2
            45    8  10 2
            46   17  43 1 #Down
            47   21  43 1
            48   10  11 1
            49   25  44 1
            50   44   1 1


entry: C09202
name: --- - Tripdiolide
formula: C20H24O7
kcf:
ATOM        27
            1   C1z C     0.1931    0.3448
            2   C1z C     0.9069   -0.0724
            3   C1y C     0.2000    1.1759
            4   C1z C    -0.5276   -0.0655
            5   O2x O    -0.5241    0.7621
            6   C1y C     0.9069   -0.9000
            7   C1y C     1.6276    0.3345
            8   O2x O     1.6207   -0.4862
            9   C1y C     0.9207    1.5828
            10  C1y C    -0.5310   -0.8931
            11  C1x C    -1.2414    0.3483
            12  C1a C     0.1862   -0.4828
            13  C1x C     0.1862   -1.3138
            14  C1z C     1.6379    1.1586
            15  O1a O     2.4241    0.1241
            16  O2x O     1.6379    1.9931
            17  C2y C    -1.2483   -1.3103
            18  C1y C    -1.9621   -0.0655
            19  C1c C     2.3483    1.5828
            20  C2y C    -1.9621   -0.8931
            21  C1x C    -1.4172   -2.1172
            22  O1a O    -2.6759    0.3483
            23  C1a C     2.3448    2.4103
            24  C1a C     3.1483    1.3690
            25  C7x C    -2.5759   -1.4483
            26  O7x O    -2.2414   -2.2034
            27  O7x O    -3.3862   -1.2759
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    9  16 1
            16   10  17 1
            17   11  18 1
            18   14  19 1 #Up
            19   17  20 2
            20   17  21 1
            21   18  22 1 #Up
            22   19  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   25  27 2
            27    3   5 1 #Up
            28    6   8 1 #Up
            29    9  14 1
            30   10  13 1
            31   14  16 1
            32   18  20 1
            33   25  26 1


entry: C09203
name: --- - Gelsemicine
formula: C20H26N2O4
kcf:
ATOM        26
            1   O2x O    15.7656  -13.6179
            2   C1x C    16.3876  -13.1425
            3   C1y C    15.7529  -14.4073
            4   C1z C    16.3624  -14.9068
            5   C1x C    17.1323  -14.7407
            6   C8x C    14.2584  -15.1500
            7   C8y C    14.2584  -15.9333
            8   C8x C    14.9371  -16.3292
            9   C8x C    14.9371  -14.7584
            10  C8y C    15.6157  -15.1500
            11  C8y C    15.6166  -15.9339
            12  N1y N    16.3646  -16.1799
            13  C5x C    16.8282  -15.5447
            14  O2a O    13.5792  -16.3292
            15  C1a C    12.9000  -15.9333
            16  O2a O    16.3625  -16.9583
            17  C1a C    17.0417  -17.3500
            18  O5x O    17.6125  -15.5416
            19  C1y C    17.1569  -13.3277
            20  C1y C    17.4821  -14.0383
            21  N1x N    18.2630  -13.9486
            22  C1y C    18.4184  -13.1774
            23  C1y C    17.7321  -12.7924
            24  C1b C    18.9667  -12.6167
            25  C1a C    19.7250  -12.8209
            26  C1x C    17.7250  -13.5791
BOND        30
            1    12  13 1
            2     4  13 1 #Up
            3     4  10 1 #Down
            4     1   3 1
            5     7  14 1
            6     1   2 1
            7    14  15 1
            8     3   4 1
            9    12  16 1
            10    6   7 1
            11   16  17 1
            12    7   8 2
            13   13  18 2
            14    8  11 1
            15   10   9 1
            16    9   6 2
            17    2  19 1
            18   20   5 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  19 1
            24    4   5 1
            25   22  24 1 #Up
            26   24  25 1
            27   10  11 2
            28   23  26 1 #Up
            29    3  26 1 #Up
            30   11  12 1


entry: C09204
name: --- - Triptolide
formula: C20H24O6
kcf:
ATOM        26
            1   C1z C     0.0931    0.3655
            2   C1z C     0.8069   -0.0517
            3   C1y C     0.1000    1.1931
            4   C1z C    -0.6241   -0.0448
            5   O2x O    -0.6207    0.7862
            6   C1y C     0.8069   -0.8793
            7   C1y C     1.5276    0.3552
            8   O2x O     1.5207   -0.4655
            9   C1y C     0.8207    1.6035
            10  C1y C    -0.6310   -0.8724
            11  C1x C    -1.3414    0.3690
            12  C1a C     0.0862   -0.4621
            13  C1x C     0.0862   -1.2931
            14  C1z C     1.5345    1.1828
            15  O1a O     2.3241    0.1448
            16  O2x O     1.5379    2.0103
            17  C2y C    -1.3483   -1.2931
            18  C1x C    -2.0586   -0.0448
            19  C1c C     2.2517    1.6069
            20  C2y C    -2.0586   -0.8724
            21  C1x C    -1.5241   -2.1000
            22  C1a C     2.2448    2.4345
            23  C1a C     2.9655    1.1897
            24  C7x C    -2.6759   -1.4241
            25  O7x O    -2.3448   -2.1828
            26  O7x O    -3.4862   -1.2483
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    9  16 1
            16   10  17 1
            17   11  18 1
            18   14  19 1 #Up
            19   17  20 2
            20   17  21 1
            21   19  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   24  26 2
            26    3   5 1 #Up
            27    6   8 1 #Up
            28    9  14 1
            29   10  13 1
            30   14  16 1
            31   18  20 1
            32   24  25 1


entry: C09205
name: --- - Zoapatanol
formula: C20H34O4
kcf:
ATOM        24
            1   C1z C     1.3172   -0.3310
            2   O2x O     2.0690   -0.6862
            3   C1y C     1.1241    0.4759
            4   C1b C     0.5931   -0.7414
            5   C1a C     1.3103   -1.1586
            6   C1x C     2.8103   -0.3138
            7   C1x C     1.6310    1.1241
            8   O1a O     0.3138    0.6552
            9   C1b C    -0.1207   -0.3207
            10  C2y C     2.9897    0.4966
            11  C1x C     2.4621    1.1310
            12  C1b C    -0.8414   -0.7276
            13  C2b C     3.7931    0.6931
            14  C1c C    -1.5517   -0.3069
            15  C1b C     4.0207    1.4897
            16  C5a C    -2.2690   -0.7138
            17  C1a C    -1.5586    0.5207
            18  O1a O     4.8276    1.6862
            19  C1b C    -2.9828   -0.2931
            20  O5a O    -2.2759   -1.5448
            21  C2b C    -3.7034   -0.7034
            22  C2c C    -4.4138   -0.2828
            23  C1a C    -5.1345   -0.6897
            24  C1a C    -4.4069    0.5483
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 2
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   14  17 1 #Down
            17   15  18 1
            18   16  19 1
            19   16  20 2
            20   19  21 1
            21   21  22 2
            22   22  23 1
            23   22  24 1
            24   10  11 1


entry: C09206
name: --- - Cichoriin
formula: C15H16O9
kcf:
ATOM        24
            1   C8y C     6.8599  -11.3198
            2   C8y C     6.8737  -10.4922
            3   C8x C     6.1392  -11.7302
            4   O7x O     7.5703  -11.7474
            5   C8x C     6.1565  -10.0715
            6   C8x C     7.5944  -10.0957
            7   C8y C     5.4289  -11.3060
            8   C8y C     8.2909  -11.3405
            9   C8y C     5.4392  -10.4750
            10  C8x C     8.3047  -10.5164
            11  O2a O     4.7772  -11.7405
            12  O7x O     9.0047  -11.7716
            13  O1a O     4.7289  -10.0543
            14  C1y C     3.9944  -12.1233
            15  O2x O     3.2840  -11.7095
            16  C1y C     3.9944  -12.9474
            17  C1y C     2.5668  -12.1233
            18  C1y C     3.2840  -13.3578
            19  O1a O     4.7116  -13.3578
            20  C1y C     2.5668  -12.9474
            21  C1b C     1.8530  -11.7095
            22  O1a O     3.2840  -14.1853
            23  O1a O     1.8530  -13.3612
            24  O1a O     1.1392  -12.1198
BOND        26
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     6  10 2
            10    7  11 1
            11    8  12 2
            12    9  13 1
            13   14  11 1 #Up
            14   14  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   17  21 1 #Up
            21   18  22 1 #Up
            22   20  23 1 #Down
            23   21  24 1
            24    7   9 1
            25    8  10 1
            26   18  20 1


entry: C09207
name: --- - Gelsemine
formula: C20H22N2O2
kcf:
ATOM        24
            1   O2x O    15.5156  -12.9471
            2   C1x C    16.1584  -12.4508
            3   C1y C    15.5029  -13.7655
            4   C1z C    16.1374  -14.2817
            5   C8x C    13.9417  -14.5333
            6   C8x C    13.9417  -15.3500
            7   C8x C    14.6537  -15.7625
            8   C8x C    14.6537  -14.1291
            9   C8y C    15.3573  -14.5333
            10  C8y C    15.3582  -15.3506
            11  N1x N    16.1396  -15.6049
            12  C5x C    16.6157  -14.9447
            13  C1y C    16.9610  -12.6402
            14  C1y C    17.2974  -13.3805
            15  C1y C    16.9364  -14.1114
            16  C1z C    17.5132  -14.6857
            17  C1x C    18.2356  -14.3079
            18  N1y N    18.1022  -13.5045
            19  O5x O    17.0167  -15.6458
            20  C1a C    18.6792  -12.9208
            21  C1x C    16.2750  -13.8874
            22  C1y C    16.9125  -13.3292
            23  C2b C    17.5125  -15.4958
            24  C2a C    18.2166  -15.8958
BOND        29
            1     4  12 1 #Up
            2     4   9 1 #Down
            3     1   3 1
            4    13  14 1
            5     1   2 1
            6     5   6 1
            7     6   7 2
            8     7  10 1
            9     9   8 1
            10   14  15 1
            11   15  16 1
            12   16  17 1
            13   17  18 1
            14   18  14 1
            15    8   5 2
            16   12  19 2
            17    3   4 1
            18   18  20 1
            19    4  15 1
            20    3  21 1 #Up
            21    2  13 1
            22   13  22 1 #Up
            23   21  22 1
            24   16  22 1 #Up
            25   16  23 1
            26    9  10 2
            27   23  24 2
            28   10  11 1
            29   11  12 1


entry: C09208
name: --- - Haplophytine
formula: C37H40N4O7
kcf:
ATOM        48
            1   C5x C    14.1463  -12.9458
            2   C1z C    14.7750  -13.4292
            3   C1x C    15.4787  -13.0208
            4   C1x C    15.4787  -12.2042
            5   N1y N    14.7750  -11.7958
            6   C1a C    14.7760  -10.9792
            7   N1y N    13.3546  -12.6083
            8   C1z C    14.0623  -12.2024
            9   C1x C    13.8976  -11.4030
            10  C1x C    13.0857  -11.3141
            11  C5x C    12.7517  -12.0584
            12  C8y C    14.0588  -13.8333
            13  C8y C    13.3505  -13.4250
            14  C8y C    12.6432  -13.8352
            15  C8x C    12.6443  -14.6538
            16  C8x C    13.3527  -15.0621
            17  C8x C    14.0599  -14.6519
            18  O5x O    11.9525  -12.2271
            19  O1a O    11.9366  -13.4279
            20  O5x O    13.6921  -13.1542
            21  C8y C    17.1727  -14.9306
            22  C8y C    17.1841  -14.1390
            23  C8y C    15.8500  -14.1844
            24  C8y C    15.8720  -14.9340
            25  C8y C    16.5322  -15.2899
            26  C8x C    16.4923  -13.7946
            27  N1y N    19.2629  -12.9669
            28  C1z C    19.2542  -13.7558
            29  C2x C    19.2407  -15.3444
            30  C2x C    19.9285  -14.9560
            31  C1z C    19.9365  -14.1652
            32  C1x C    20.6334  -13.7777
            33  C1x C    20.6429  -12.9782
            34  C1x C    19.9555  -12.5742
            35  C1x C    18.5006  -12.7443
            36  C1x C    18.0910  -13.4153
            37  O7x O    19.2307  -14.5429
            38  C1y C    18.5614  -14.9464
            39  C1z C    18.5705  -14.1391
            40  N1y N    17.8645  -15.3424
            41  C1a C    17.8625  -16.1250
            42  C1x C    20.7084  -15.1916
            43  C7x C    20.0250  -15.5792
            44  O7x O    20.0208  -16.3666
            45  O2a O    16.5292  -16.0708
            46  O2a O    15.2375  -15.3167
            47  C1a C    15.8417  -16.4625
            48  C1a C    14.5853  -14.9576
BOND        57
            1    11   7 1
            2     5   8 1
            3     5   6 1
            4     2  12 1
            5     7  13 1
            6     8   1 1 #Up
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  16 1
            11   16  17 2
            12   17  12 1
            13    2   1 1 #Up
            14   11  18 2
            15    2   3 1
            16   14  19 1
            17    3   4 1
            18    1  20 2
            19    4   5 1
            20    7   8 1
            21    8   9 1
            22    9  10 1
            23   23  24 1
            24   24  25 2
            25   25  21 1
            26   22  26 1
            27   26  23 2
            28   39  28 1
            29   28  27 1
            30   38  29 1
            31   29  30 2
            32   30  31 1
            33   28  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  27 1
            38   27  35 1
            39   35  36 1
            40   39  36 1 #Down
            41   28  37 1 #Up
            42   38  39 1
            43   21  40 1
            44   40  38 1
            45   39  22 1
            46   40  41 1
            47   43  42 1
            48   31  42 1 #Up
            49   37  43 1
            50   43  44 2
            51   23   2 1
            52   21  22 2
            53   25  45 1
            54   24  46 1
            55   45  47 1
            56   10  11 1
            57   46  48 1


entry: C09209
name: --- - Harman
formula: C12H10N2
kcf:
ATOM        14
            1   C8y C    16.5079  -13.4370
            2   C8y C    15.7283  -13.7043
            3   C8y C    17.0114  -14.0960
            4   C8x C    16.8278  -12.6770
            5   C8y C    15.7438  -14.5326
            6   C8x C    15.0112  -13.2968
            7   N4x N    16.5344  -14.7693
            8   C8y C    17.8314  -13.9908
            9   C8x C    17.6478  -12.5712
            10  C8x C    15.0355  -14.9568
            11  C8x C    14.2959  -13.7253
            12  N5x N    18.1513  -13.2302
            13  C1a C    18.3308  -14.6532
            14  C8x C    14.3081  -14.5536
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    8  12 2
            12    8  13 1
            13   10  14 2
            14    5   7 1
            15    9  12 1
            16   11  14 1


entry: C09210
name: --- - Columbianetin
formula: C14H14O4
comment: (R)-form
kcf:
ATOM        18
            1   C8x C     3.8459  -10.3875
            2   C8x C     4.5621   -9.9750
            3   C8y C     5.2741  -10.3875
            4   C8y C     5.2705  -11.2125
            5   O7x O     5.9832  -11.6280
            6   C8y C     6.6995  -11.2186
            7   C8x C     6.7030  -10.3936
            8   C8x C     5.9903   -9.9781
            9   O7x O     7.4122  -11.6341
            10  C8y C     4.5621  -11.6250
            11  C8y C     3.8456  -11.2095
            12  O2x O     3.2291  -11.7625
            13  C1y C     3.5646  -12.5197
            14  C1x C     4.3883  -12.4347
            15  C1d C     3.5565  -13.3046
            16  C1a C     2.8379  -13.7098
            17  C1a C     4.2668  -13.7243
            18  O1a O     3.5577  -14.1871
BOND        20
            1     1  11 1
            2     6   9 2
            3    10   4 1
            4     3   2 1
            5     2   1 2
            6     3   4 2
            7    10  11 2
            8    11  12 1
            9    12  13 1
            10   13  14 1
            11   14  10 1
            12    4   5 1
            13    5   6 1
            14   13  15 1
            15    6   7 1
            16   15  16 1
            17    7   8 2
            18   15  17 1
            19    8   3 1
            20   15  18 1


entry: C09211
name: --- - Hodgkinsine
formula: C33H38N6
kcf:
ATOM        39
            1   N1y N     4.7497   -9.4924
            2   C1x C     4.2506  -10.1377
            3   C1x C     4.7068  -10.8112
            4   C1y C     5.5155   -9.7697
            5   C1z C     5.4884  -10.5835
            6   N1x N     6.3025   -9.5482
            7   C8y C     6.7546  -10.2266
            8   C8y C     6.2534  -10.8611
            9   C8x C     6.5547  -11.6175
            10  C8x C     7.3573  -11.7311
            11  C8x C     7.8585  -11.0967
            12  C8x C     7.5571  -10.3403
            13  C1a C     4.7663   -8.6764
            14  N1y N     2.7580  -12.4627
            15  C1x C     2.7553  -13.2777
            16  C1x C     3.5325  -13.5258
            17  C1y C     3.5324  -12.2064
            18  C1z C     4.0073  -12.8690
            19  N1x N     4.0129  -11.5520
            20  C8y C     4.7856  -11.8067
            21  C8y C     4.7813  -12.6177
            22  C8x C     5.4839  -13.0248
            23  C8x C     6.1868  -12.6252
            24  C8x C     6.1911  -11.8142
            25  C8y C     5.4926  -11.4028
            26  N1y N     6.1002  -14.5233
            27  C1x C     6.0988  -13.7083
            28  C1x C     5.3257  -13.4602
            29  C1y C     5.3258  -14.7754
            30  C1z C     4.8509  -14.1170
            31  N1x N     4.8453  -15.4340
            32  C8y C     4.0726  -15.1793
            33  C8y C     4.0769  -14.3683
            34  C8x C     3.3743  -13.9570
            35  C8x C     2.6714  -14.3608
            36  C8x C     2.6671  -15.1718
            37  C8x C     3.3656  -15.5790
            38  C1a C     2.2660  -11.8072
            39  C1a C     6.5796  -15.1828
BOND        47
            1    19  17 1
            2     1   2 1
            3     4   5 1
            4     7   8 2
            5     8   9 1
            6     9  10 2
            7    10  11 1
            8    20  21 2
            9    21  22 1
            10   22  23 2
            11   23  24 1
            12   24  25 2
            13   25  20 1
            14   11  12 2
            15   12   7 1
            16    5   8 1
            17   29  26 1
            18   26  27 1
            19   27  28 1
            20   30  28 1 #Down
            21    1  13 1
            22    7   6 1
            23    6   4 1
            24   29  30 1
            25   30  33 1
            26   32  31 1
            27   31  29 1
            28    2   3 1
            29   17  14 1
            30   14  15 1
            31   15  16 1
            32   18  16 1 #Up
            33    5   3 1 #Up
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   37  32 1
            40   18  30 1
            41   14  38 1
            42    4   1 1
            43   26  39 1
            44   17  18 1
            45   18  21 1
            46   25   5 1
            47   20  19 1


entry: C09212
name: --- - 11-Hydroxycanthin-6-one
formula: C14H8N2O2
kcf:
ATOM        18
            1   C8y C     5.8000  -11.8986
            2   N4y N     5.2655  -12.5641
            3   C8y C     5.3379  -11.1883
            4   C8y C     6.6103  -11.9055
            5   C8y C     4.5138  -12.2158
            6   C8y C     5.7897  -13.2986
            7   C8y C     4.5138  -11.4055
            8   C8x C     5.8069  -10.4917
            9   C8x C     7.0069  -12.6089
            10  N5x N     7.0207  -11.2055
            11  C8x C     3.8172  -12.6193
            12  C8x C     6.5966  -13.3055
            13  O5x O     5.3517  -14.0296
            14  C8y C     3.8172  -10.9986
            15  C8x C     6.6207  -10.5020
            16  C8x C     3.1103  -12.2158
            17  C8x C     3.1138  -11.4055
            18  O1a O     3.8125  -10.1708
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 2
            15   11  16 2
            16   14  17 2
            17    5   7 2
            18    9  12 2
            19   10  15 1
            20   16  17 1
            21   14  18 1


entry: C09213
name: --- - Hypaphorine - Lenticin
formula: C14H18N2O2
kcf:
ATOM        18
            1   C8y C     3.6685  -13.1030
            2   C8y C     4.4616  -12.8444
            3   C8y C     3.6651  -13.9341
            4   C8x C     2.9513  -12.6858
            5   C1b C     4.4582  -12.0168
            6   C8x C     4.9444  -13.5203
            7   N4x N     4.4547  -14.1927
            8   C8x C     2.9513  -14.3444
            9   C8x C     2.2306  -13.1030
            10  C1c C     5.1720  -11.6065
            11  C8x C     2.2306  -13.9306
            12  N1d N     5.8858  -12.0134 #+
            13  C6a C     5.1720  -10.7823
            14  C1a C     6.6030  -11.6030
            15  C1a C     5.8823  -12.8444
            16  C1a C     6.6030  -12.4306
            17  O6a O     4.4513  -10.3651
            18  O0  O     5.8858  -10.3651 #-
BOND        19
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    8  11 2
            11   10  12 1
            12   10  13 1 #Up
            13   12  14 1
            14   12  15 1
            15   12  16 1
            16   13  17 2
            17   13  18 1
            18    6   7 1
            19    9  11 1


entry: C09214
name: --- - Ibogaine
formula: C20H26N2O
kcf:
ATOM        23
            1   C1y C     5.2498  -12.8077
            2   C1y C     5.6826  -12.2281
            3   C1x C     5.8298  -13.2707
            4   C1y C     6.3553  -12.6585
            5   C1y C     6.8332  -12.1528
            6   C1x C     7.4542  -12.6268
            7   C1b C     7.0694  -11.3553
            8   C8y C     3.4320  -12.3848
            9   N4x N     4.1121  -13.3385
            10  C8y C     3.4328  -13.1048
            11  C8x C     2.8052  -12.0252
            12  C8x C     2.8052  -13.4727
            13  C8y C     2.1878  -12.3848
            14  C8x C     2.1878  -13.1048
            15  C8y C     4.5323  -12.7597
            16  C8y C     4.1246  -12.1743
            17  C1x C     4.3246  -11.4796
            18  C1x C     4.9894  -11.2075
            19  N1y N     5.6159  -11.5540
            20  C1x C     6.1333  -10.5834
            21  C1a C     7.8805  -11.1650
            22  O2a O     1.5667  -12.0292
            23  C1a C     0.9458  -12.3833
BOND        27
            1     1   2 1
            2     1   3 1
            3     2   5 1
            4    16   8 1
            5    15   9 1
            6     8  10 2
            7     8  11 1
            8    10  12 1
            9    11  13 2
            10   12  14 2
            11    9  10 1
            12   13  14 1
            13   15  16 2
            14   16  17 1
            15   15   1 1
            16   17  18 1
            17   18  19 1
            18    2  19 1
            19   19  20 1 #Up
            20    4  20 1 #Up
            21    4   6 1
            22    7  21 1
            23    5   7 1 #Up
            24    3   4 1
            25   13  22 1
            26    5   6 1
            27   22  23 1


entry: C09215
name: --- - Ibogamine
formula: C19H24N2
kcf:
ATOM        21
            1   C1y C     4.3873  -12.7993
            2   C1y C     4.8118  -12.2281
            3   C1x C     4.9590  -13.2623
            4   C1y C     5.4761  -12.6501
            5   C1y C     5.9540  -12.1528
            6   C1x C     6.5667  -12.6184
            7   C1b C     6.1902  -11.3637
            8   C8y C     2.5862  -12.3848
            9   N4x N     3.2579  -13.3301
            10  C8y C     2.5870  -13.0964
            11  C8x C     1.9677  -12.0252
            12  C8x C     1.9677  -13.4561
            13  C8x C     1.3503  -12.3848
            14  C8x C     1.3503  -13.0964
            15  C8y C     3.6781  -12.7513
            16  C8y C     3.2704  -12.1743
            17  C1x C     3.4704  -11.4880
            18  C1x C     4.1269  -11.2159
            19  N1y N     4.7451  -11.5624
            20  C1x C     5.2625  -10.6000
            21  C1a C     6.9930  -11.1734
BOND        25
            1     3   4 1
            2     5   6 1
            3     1   2 1
            4     1   3 1
            5     2   5 1
            6    16   8 1
            7    15   9 1
            8     8  10 2
            9     8  11 1
            10   10  12 1
            11   11  13 2
            12   12  14 2
            13    9  10 1
            14   13  14 1
            15   15  16 2
            16   16  17 1
            17   15   1 1
            18   17  18 1
            19   18  19 1
            20    2  19 1
            21   19  20 1 #Up
            22    4  20 1 #Up
            23    4   6 1
            24    7  21 1
            25    5   7 1 #Up


entry: C09216
name: --- - Daphnoretin
formula: C19H12O7
kcf:
ATOM        26
            1   C8y C    -1.7862   -0.3690
            2   C8y C    -1.7931    0.4552
            3   C8x C    -1.0690   -0.7828
            4   C8x C    -2.5000   -0.7966
            5   O7x O    -1.0793    0.8690
            6   C8x C    -2.5172    0.8621
            7   C8y C    -0.3552   -0.3621
            8   C8y C    -3.2207   -0.3897
            9   C8y C    -0.3621    0.4621
            10  C8y C    -3.2310    0.4414
            11  O2a O     0.3586   -0.7759
            12  O2a O    -3.9345   -0.8138
            13  O7x O     0.3517    0.8793
            14  O1a O    -3.9517    0.8448
            15  C8y C     1.0759   -0.3552
            16  C1a C    -4.6586   -0.4069
            17  C8x C     1.7966   -0.7690
            18  C8x C     1.0724    0.4724
            19  C8y C     2.5069   -0.3448
            20  C8x C     1.7862    0.8897
            21  C8y C     2.5069    0.4828
            22  O7x O     3.2241   -0.7621
            23  C8x C     3.2241    0.8931
            24  C8y C     3.9414   -0.3448
            25  C8x C     3.9414    0.4828
            26  O7x O     4.6621   -0.7621
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    8  12 1
            12    9  13 2
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   15  17 2
            17   15  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21   19  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 2
            25   24  26 2
            26    7   9 1
            27    8  10 1
            28   20  21 1
            29   24  25 1


entry: C09217
name: --- - Isoajmaline
formula: C20H26N2O2
kcf:
ATOM        24
            1   C1z C     4.1182  -12.4156
            2   C1y C     4.5115  -12.9804
            3   C8y C     3.4529  -12.6264
            4   C1y C     4.1113  -10.7661
            5   C1x C     4.4013  -11.7916
            6   C1y C     5.1473  -12.8330
            7   N1y N     4.1079  -13.5342
            8   C8y C     3.4536  -13.3171
            9   C8x C     2.8592  -12.2709
            10  C1y C     6.0853  -10.7661
            11  O1a O     3.6836  -10.2226
            12  C1y C     5.0935  -11.7248
            13  N1y N     5.4909  -12.2855
            14  C1x C     5.6914  -13.1402
            15  C1a C     4.3214  -14.1912
            16  C8x C     2.8592  -13.6643
            17  C8x C     2.2544  -12.6264
            18  C1y C     6.0819  -12.5926
            19  C1y C     6.4428  -12.1346
            20  C8x C     2.2544  -13.3171
            21  C1y C     6.9862  -12.4859
            22  O1a O     6.5792  -11.4610
            23  C1b C     7.6647  -12.6352
            24  C1a C     7.8720  -13.3041
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    4  11 1 #Down
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    8  16 1
            16    9  17 2
            17   18  10 1 #Up
            18   13  19 1
            19   16  20 2
            20   18  21 1
            21   19  22 1 #Up
            22   21  23 1 #Down
            23   23  24 1
            24    7   8 1
            25   12  10 1 #Up
            26   12  13 1
            27   14  18 1
            28   17  20 1
            29   19  21 1


entry: C09218
name: --- - Leurosidine - Vinrosidine
formula: C46H58N4O9
kcf:
ATOM        59
            1   C1z C    25.9000  -19.6000
            2   C1y C    27.0200  -18.9000
            3   C1y C    25.9000  -20.8600
            4   C1x C    25.0600  -18.4800
            5   C1z C    28.1400  -19.6000
            6   N1y N    27.0200  -17.5700
            7   C1z C    27.0200  -21.5600
            8   N1y N    24.7800  -21.5600
            9   C8y C    23.6600  -20.8600
            10  C1x C    25.6900  -17.5700
            11  C1y C    28.1400  -20.8600
            12  C2x C    29.3300  -18.9000
            13  C1b C    29.2600  -20.2300
            14  C1x C    28.1400  -16.9400
            15  C7a C    27.9300  -22.6800
            16  O1a O    26.5300  -23.4500
            17  C1a C    24.7800  -22.8900
            18  O7a O    31.5000  -22.1900
            19  C2x C    29.3300  -17.5700
            20  C1a C    30.3800  -19.6000
            21  O7a O    27.9300  -24.0100
            22  O7a O    29.2600  -22.1900
            23  C1a C    29.1200  -24.7100
            24  C1a C    33.9500  -22.1900
            25  C7a C    32.6900  -21.4900
            26  O7a O    32.6900  -20.0900
            27  C8y C    23.6600  -19.6000
            28  C8x C    22.5400  -18.9700
            29  C8x C    22.5400  -21.5600
            30  C8y C    21.4200  -19.6000
            31  C8y C    21.4200  -20.9300
            32  C1z C    18.3400  -17.4300
            33  O2a O    20.3000  -21.5600
            34  C8y C    17.2200  -16.6600
            35  C1x C    19.6000  -16.6600
            36  C7a C    17.9900  -18.6900
            37  C1a C    19.1800  -20.9300
            38  C8y C    17.2200  -15.2600
            39  N4x N    16.1000  -17.2900
            40  C1y C    19.6000  -15.4000
            41  O7a O    16.5200  -19.1800
            42  O7a O    18.8300  -19.7400
            43  C8y C    14.9100  -15.2600
            44  C1x C    16.4500  -14.1400
            45  C8y C    14.9100  -16.6600
            46  C1x C    18.4800  -14.7700
            47  C1a C    15.6800  -20.5800
            48  C8x C    13.7200  -14.6300
            49  C1x C    17.2200  -13.1600
            50  C8x C    13.7200  -17.2900
            51  N1y N    18.4800  -13.5100
            52  C8x C    12.6700  -15.2600
            53  C8x C    12.6700  -16.6600
            54  C1x C    19.6000  -12.7400
            55  C1z C    20.7200  -13.3700
            56  C1x C    20.7200  -14.5600
            57  O1a O    21.9800  -12.6700
            58  C1b C    21.9324  -14.0700
            59  C1a C    21.9325  -15.4698
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4  10 1
            9     5  11 1
            10    5  12 1
            11    5  13 1 #Down
            12    6  14 1
            13    7  15 1 #Down
            14    7  16 1 #Up
            15    8  17 1
            16   11  18 1 #Up
            17   12  19 2
            18   13  20 1
            19   15  21 1
            20    6  10 1
            21    7  11 1
            22    8   9 1
            23   14  19 1
            24   15  22 2
            25   21  23 1
            26   24  25 1
            27   18  25 1
            28   25  26 2
            29   27  28 1
            30    9  29 1
            31   28  30 2
            32   29  31 2
            33   32  30 1
            34   31  33 1
            35   32  34 1
            36   32  35 1
            37   32  36 1 #Up
            38   33  37 1
            39   34  38 2
            40   34  39 1
            41   35  40 1
            42   36  41 1
            43   36  42 2
            44   38  43 1
            45   38  44 1
            46   39  45 1
            47   40  46 1 #Down
            48   40  56 1
            49   41  47 1
            50   43  48 1
            51   44  49 1
            52   45  50 1
            53   51  46 1 #Down
            54   48  52 2
            55   50  53 2
            56   51  54 1
            57   30  31 1
            58   43  45 2
            59   49  51 1
            60   55  54 1
            61   52  53 1
            62   55  56 1
            63   55  57 1 #Up
            64   27   1 1
            65   27   9 2
            66   55  58 1 #Down
            67   58  59 1


entry: C09219
name: --- - Leurosine - Vinleurosine
formula: C46H56N4O9
kcf:
ATOM        59
            1   C1z C    24.5000  -19.6000
            2   C1y C    25.6200  -18.9000
            3   C1y C    24.5000  -20.8600
            4   C1x C    23.6600  -18.4800
            5   C1z C    26.7400  -19.6000
            6   N1y N    25.6200  -17.5700
            7   C1z C    25.6200  -21.5600
            8   N1y N    23.3800  -21.5600
            9   C8y C    22.2600  -20.8600
            10  C1x C    24.2900  -17.5700
            11  C1y C    26.7400  -20.8600
            12  C2x C    27.9300  -18.9000
            13  C1b C    27.8600  -20.2300
            14  C1x C    26.7400  -16.9400
            15  C7a C    26.5300  -22.6800
            16  O1a O    25.1300  -23.4500
            17  C1a C    23.3800  -22.8900
            18  O7a O    30.1000  -22.1900
            19  C2x C    27.9300  -17.5700
            20  C1a C    28.9800  -19.6000
            21  O7a O    26.5300  -24.0100
            22  O7a O    27.8600  -22.1900
            23  C1a C    27.7200  -24.7100
            24  C1a C    32.5500  -22.1900
            25  C7a C    31.2900  -21.4900
            26  O7a O    31.2900  -20.0900
            27  C8y C    22.2600  -19.6000
            28  C8x C    21.1400  -18.9700
            29  C8x C    21.1400  -21.5600
            30  C8y C    20.0200  -19.6000
            31  C8y C    20.0200  -20.9300
            32  C1z C    16.9400  -17.4300
            33  O2a O    18.9000  -21.5600
            34  C8y C    15.8200  -16.6600
            35  C1x C    18.2000  -16.6600
            36  C7a C    16.5900  -18.6900
            37  C1a C    17.7800  -20.9300
            38  C8y C    15.8200  -15.2600
            39  N4x N    14.7000  -17.2900
            40  C1y C    18.2000  -15.4000
            41  O7a O    15.1200  -19.1800
            42  O7a O    17.4300  -19.7400
            43  C8y C    13.5100  -15.2600
            44  C1x C    15.0500  -14.1400
            45  C8y C    13.5100  -16.6600
            46  C1x C    17.0800  -14.7700
            47  C1a C    14.2800  -20.5800
            48  C8x C    12.3200  -14.6300
            49  C1x C    15.8200  -13.1600
            50  C8x C    12.3200  -17.2900
            51  N1y N    17.0800  -13.5100
            52  C8x C    11.2700  -15.2600
            53  C8x C    11.2700  -16.6600
            54  C1x C    18.2000  -12.7400
            55  C1z C    19.3200  -13.3700
            56  C1y C    19.3200  -14.5600
            57  O2x O    20.3700  -13.9300
            58  C1b C    20.5800  -12.6700
            59  C1a C    21.7700  -13.3700
BOND        68
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4  10 1
            9     5  11 1
            10    5  12 1
            11    5  13 1 #Down
            12    6  14 1
            13    7  15 1 #Down
            14    7  16 1 #Up
            15    8  17 1
            16   11  18 1 #Up
            17   12  19 2
            18   13  20 1
            19   15  21 1
            20    6  10 1
            21    7  11 1
            22    8   9 1
            23   14  19 1
            24   15  22 2
            25   21  23 1
            26   24  25 1
            27   18  25 1
            28   25  26 2
            29   27  28 1
            30    9  29 1
            31   28  30 2
            32   29  31 2
            33   32  30 1
            34   31  33 1
            35   32  34 1
            36   32  35 1
            37   32  36 1 #Up
            38   33  37 1
            39   34  38 2
            40   34  39 1
            41   35  40 1
            42   36  41 1
            43   36  42 2
            44   38  43 1
            45   38  44 1
            46   39  45 1
            47   40  46 1 #Down
            48   40  56 1
            49   41  47 1
            50   43  48 1
            51   44  49 1
            52   45  50 1
            53   51  46 1 #Down
            54   48  52 2
            55   50  53 2
            56   51  54 1
            57   30  31 1
            58   43  45 2
            59   49  51 1
            60   55  54 1
            61   52  53 1
            62   55  56 1
            63   55  57 1
            64   57  56 1
            65   55  58 1 #Up
            66   58  59 1
            67   27   1 1
            68   27   9 2


entry: C09220
name: --- - Mahanimbine
formula: C23H25NO
kcf:
ATOM        25
            1   C8y C    -1.1828   -0.0172
            2   C8y C    -0.3345   -0.0345
            3   C8y C    -1.6207    0.5724
            4   N4x N    -1.6241   -0.7448
            5   C8y C    -0.0069    0.7379
            6   C2x C     0.1724   -0.7000
            7   C8y C    -2.4000    0.3241
            8   C8x C    -1.2931    1.3069
            9   C8y C    -2.4069   -0.4897
            10  O2x O     0.8207    0.8414
            11  C8y C    -0.4862    1.3966
            12  C2x C     1.0000   -0.5931
            13  C8x C    -3.0966    0.7310
            14  C8x C    -3.1103   -0.8897
            15  C1z C     1.3241    0.1759
            16  C1a C    -0.1138    2.1621
            17  C8x C    -3.8034    0.3310
            18  C8x C    -3.8103   -0.4793
            19  C1b C     2.1724    0.1793
            20  C1a C     1.7483    0.9172
            21  C1b C     2.5966   -0.5586
            22  C2b C     3.4414   -0.5586
            23  C2c C     3.8690   -1.2931
            24  C1a C     4.7138   -1.2931
            25  C1a C     3.4379   -2.0241
BOND        28
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1
            19   15  20 1 #Either
            20   19  21 1
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   23  25 1
            25    7   9 2
            26    8  11 2
            27   12  15 1
            28   17  18 1


entry: C09221
name: --- - Melosatin A
formula: C21H23NO4
kcf:
ATOM        26
            1   C5x C     8.1838  -13.0248
            2   C5x C     8.1862  -12.2207
            3   C8y C     6.7997  -12.2165
            4   C8y C     6.7973  -13.0206
            5   N1x N     7.4914  -13.4269
            6   C8x C     2.6197   -9.8023
            7   C8x C     1.9197   -9.4023
            8   C8x C     1.2208   -9.8042
            9   C8x C     1.2219  -10.6102
            10  C8y C     2.6208  -10.6083
            11  C8x C     1.9156  -11.0106
            12  C1b C     6.0958  -11.0125
            13  C1b C     5.4000  -10.6083
            14  C1b C     4.7042  -11.0125
            15  C1b C     4.0083  -10.6083
            16  C1b C     3.3167  -11.0125
            17  C8x C     5.4042  -12.2208
            18  C8y C     5.4042  -13.0250
            19  C8y C     6.1037  -13.4250
            20  C8y C     6.1037  -11.8167
            21  O2a O     6.1000  -14.2250
            22  O2a O     4.7083  -13.4250
            23  C1a C     4.0125  -13.0250
            24  C1a C     6.7958  -14.6292
            25  O5x O     8.8792  -13.4208
            26  O5x O     8.7542  -11.6417
BOND        28
            1     3   4 2
            2    13  14 1
            3     4   5 1
            4    14  15 1
            5     5   1 1
            6    15  16 1
            7    16  10 1
            8     6   7 1
            9     7   8 2
            10    8   9 1
            11   10   6 2
            12   17  18 1
            13   18  19 2
            14   19   4 1
            15    3  20 1
            16   20  17 2
            17    2   3 1
            18   19  21 1
            19    9  11 2
            20   18  22 1
            21   11  10 1
            22   22  23 1
            23   20  12 1
            24    1   2 1
            25   21  24 1
            26    1  25 2
            27   12  13 1
            28    2  26 2


entry: C09222
name: --- - Melosatin B
formula: C19H19NO2
kcf:
ATOM        22
            1   C5x C     8.1838  -13.4707
            2   C5x C     8.1862  -12.6665
            3   C8y C     6.7997  -12.6623
            4   C8y C     6.7973  -13.4665
            5   N1x N     7.4914  -13.8769
            6   C8x C     2.6197  -10.2523
            7   C8x C     1.9197   -9.8481
            8   C8x C     1.2208  -10.2542
            9   C8x C     1.2219  -11.0602
            10  C8y C     2.6208  -11.0583
            11  C8x C     1.9156  -11.4564
            12  C1b C     6.0958  -11.4583
            13  C1b C     5.4000  -11.0583
            14  C1b C     4.7042  -11.4583
            15  C1b C     4.0083  -11.0583
            16  C1b C     3.3167  -11.4583
            17  C8x C     5.4042  -12.6667
            18  C8x C     5.4042  -13.4708
            19  C8x C     6.1037  -13.8750
            20  C8y C     6.1037  -12.2625
            21  O5x O     8.8792  -13.8708
            22  O5x O     8.7542  -12.0875
BOND        24
            1    11  10 1
            2     1   2 1
            3    12  13 1
            4     3   4 2
            5    13  14 1
            6     4   5 1
            7    14  15 1
            8     5   1 1
            9    15  16 1
            10   16  10 1
            11    6   7 1
            12    7   8 2
            13    8   9 1
            14   10   6 2
            15   17  18 1
            16   18  19 2
            17   19   4 1
            18    3  20 1
            19   20  17 2
            20   20  12 1
            21    2   3 1
            22    1  21 2
            23    9  11 2
            24    2  22 2


entry: C09223
name: --- - Mesembrenone
formula: C17H21NO3
kcf:
ATOM        21
            1   C1z C     4.4457  -13.1159
            2   C1y C     4.4457  -13.9470
            3   C8y C     4.4353  -12.2884
            4   C1x C     5.2319  -12.8608
            5   C2x C     3.7284  -12.7056
            6   N1y N     5.2353  -14.2022
            7   C1x C     3.7284  -14.3642
            8   C8x C     5.1526  -11.8642
            9   C8x C     3.7147  -11.8815
            10  C1x C     5.7181  -13.5332
            11  C2x C     3.0078  -13.1159
            12  C1a C     5.6422  -14.9160
            13  C5x C     3.0078  -13.9470
            14  C8y C     5.1457  -11.0366
            15  C8x C     3.7078  -11.0539
            16  O5x O     2.2871  -14.3573
            17  C8y C     4.4216  -10.6297
            18  O2a O     5.8526  -10.6228
            19  O2a O     4.4147   -9.8056
            20  C1a C     6.5698  -11.0297
            21  C1a C     5.1319   -9.3849
BOND        23
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 2
            15   13  16 2
            16   14  17 2
            17   14  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21    6  10 1
            22   11  13 1
            23   15  17 1


entry: C09224
name: --- - Mesembrine
formula: C17H23NO3
kcf:
ATOM        21
            1   C1z C     4.4457  -13.1159
            2   C1y C     4.4457  -13.9470
            3   C8y C     4.4353  -12.2884
            4   C1x C     5.2319  -12.8608
            5   C1x C     3.7284  -12.7056
            6   N1y N     5.2353  -14.2022
            7   C1x C     3.7284  -14.3642
            8   C8x C     5.1526  -11.8642
            9   C8x C     3.7147  -11.8815
            10  C1x C     5.7181  -13.5332
            11  C1x C     3.0078  -13.1159
            12  C1a C     5.6422  -14.9160
            13  C5x C     3.0078  -13.9470
            14  C8y C     5.1457  -11.0366
            15  C8x C     3.7078  -11.0539
            16  O5x O     2.2871  -14.3573
            17  C8y C     4.4216  -10.6297
            18  O2a O     5.8526  -10.6228
            19  O2a O     4.4147   -9.8056
            20  C1a C     6.5698  -11.0332
            21  C1a C     5.1319   -9.3849
BOND        23
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 2
            15   13  16 2
            16   14  17 2
            17   14  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21    6  10 1
            22   11  13 1
            23   15  17 1


entry: C09225
name: --- - Mesembrinol
formula: C17H25NO3
kcf:
ATOM        21
            1   C1z C     4.4422  -13.1159
            2   C1y C     4.4457  -13.9470
            3   C8y C     4.4353  -12.2884
            4   C1x C     5.2319  -12.8608
            5   C1x C     3.7284  -12.7056
            6   N1y N     5.2353  -14.2022
            7   C1x C     3.7284  -14.3642
            8   C8x C     5.1526  -11.8642
            9   C8x C     3.7147  -11.8815
            10  C1x C     5.7181  -13.5332
            11  C1x C     3.0078  -13.1159
            12  C1a C     5.6422  -14.9160
            13  C1y C     3.0078  -13.9470
            14  C8y C     5.1457  -11.0366
            15  C8x C     3.7078  -11.0539
            16  O1a O     2.2871  -14.3573
            17  C8y C     4.4216  -10.6297
            18  O2a O     5.8560  -10.6228
            19  O2a O     4.4147   -9.8056
            20  C1a C     6.5733  -11.0297
            21  C1a C     5.1319   -9.3849
BOND        23
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 2
            15   13  16 1 #Down
            16   14  17 2
            17   14  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21    6  10 1
            22   11  13 1
            23   15  17 1


entry: C09226
name: --- - Mitragynine
formula: C23H30N2O4
kcf:
ATOM        29
            1   N4x N     2.9512  -12.1636
            2   C8y C     3.3845  -11.4381
            3   C8x C     0.7719  -11.1147
            4   C8x C     0.7730  -11.9230
            5   C8x C     1.4772  -12.3221
            6   C8y C     1.4750  -10.7096
            7   C8y C     2.1709  -11.1128
            8   C8y C     2.1720  -11.9211
            9   C1x C     3.2607  -10.1223
            10  C1x C     4.0635  -10.0276
            11  C8y C     2.9428  -10.8564
            12  N1y N     4.5427  -10.6785
            13  C1y C     4.2278  -11.4488
            14  C1x C     4.7361  -12.1057
            15  C1y C     5.5592  -11.9923
            16  C1y C     5.8741  -11.2262
            17  C1x C     5.3659  -10.5693
            18  C1b C     6.7086  -11.1121
            19  C1a C     7.0316  -10.3311
            20  C2c C     6.0731  -12.6565
            21  C2b C     6.9100  -12.5442
            22  O2a O     7.2205  -11.7591
            23  C1a C     8.0607  -11.6400
            24  C7a C     5.7601  -13.4383
            25  O7a O     4.9240  -13.5573
            26  O7a O     6.2783  -14.1068
            27  C1a C     5.9584  -14.8875
            28  O2a O     1.4667   -9.8625
            29  C1a C     2.1959   -9.4375
BOND        32
            1     6   3 2
            2     7   8 2
            3    12  13 1
            4    13  14 1
            5    14  15 1
            6    15  16 1
            7    16  17 1
            8    17  12 1
            9    16  18 1 #Up
            10   10   9 1
            11   18  19 1
            12    9  11 1
            13   15  20 1 #Up
            14   13   2 1
            15   20  21 2
            16   10  12 1
            17   21  22 1
            18    2   1 1
            19   22  23 1
            20    2  11 2
            21   20  24 1
            22   11   7 1
            23   24  25 2
            24    8   1 1
            25   24  26 1
            26    3   4 1
            27   26  27 1
            28    4   5 2
            29    6  28 1
            30    5   8 1
            31   28  29 1
            32    7   6 1


entry: C09227
name: --- - Mitraphylline
formula: C21H24N2O4
kcf:
ATOM        27
            1   C1x C    17.1037  -14.8041
            2   C1x C    17.1037  -13.1250
            3   C1y C    17.8282  -13.5459
            4   C1y C    17.8247  -14.3875
            5   C2y C    18.5415  -14.8072
            6   C2x C    19.2703  -14.3936
            7   O2x O    19.2738  -13.5520
            8   C1y C    18.5486  -13.1281
            9   C1y C    16.3750  -14.3875
            10  N1y N    16.3731  -13.5456
            11  C1x C    15.5751  -13.2882
            12  C1x C    15.0833  -13.9653
            13  C1z C    15.5783  -14.6444
            14  C8x C    13.3333  -14.9041
            15  C8x C    13.3333  -15.7417
            16  C8x C    14.0621  -16.1625
            17  C8x C    14.0621  -14.4875
            18  C8y C    14.7823  -14.9041
            19  C8y C    14.7832  -15.7423
            20  N1x N    15.5813  -16.0007
            21  C5x C    16.0698  -15.3239
            22  C1a C    18.5416  -12.2875
            23  O5x O    16.6625  -15.9084
            24  C7a C    18.5375  -15.6375
            25  O7a O    19.2625  -16.0583
            26  C1a C    19.2625  -16.8917
            27  O7a O    17.8167  -16.0541
BOND        31
            1     4   5 1
            2     5   6 2
            3     6   7 1
            4    14  15 1
            5    15  16 2
            6    16  19 1
            7    18  17 1
            8    17  14 2
            9     7   8 1
            10    8   3 1
            11    9   1 1
            12    1   4 1
            13   18  19 2
            14   19  20 1
            15   20  21 1
            16   13  21 1 #Up
            17   13  18 1 #Down
            18    3   2 1
            19    8  22 1 #Down
            20    2  10 1
            21    9  10 1
            22   21  23 2
            23   10  11 1
            24   11  12 1
            25    5  24 1
            26   12  13 1
            27   24  25 1
            28   13   9 1
            29   25  26 1
            30    3   4 1
            31   24  27 2


entry: C09228
name: --- - Murrayanine - 9H-Carbazole-3-carboxaldehyde, 1-methoxy-
formula: C14H11NO2
kcf:
ATOM        17
            1   C8y C    -0.1690    0.2966
            2   C8y C     0.2897   -0.3828
            3   C8y C    -0.9621    0.0655
            4   C8x C     0.1897    1.0379
            5   C8y C     1.1103   -0.3241
            6   N4x N    -0.2069   -1.0379
            7   C8y C    -0.9862   -0.7586
            8   C8x C    -1.6690    0.5000
            9   C8y C     1.0138    1.0966
            10  C8x C     1.4759    0.4172
            11  O2a O     1.5690   -1.0103
            12  C8x C    -1.7069   -1.1586
            13  C8x C    -2.4000    0.1000
            14  C4a C     1.4207    1.8172
            15  C1a C     1.2069   -1.7517
            16  C8x C    -2.4172   -0.7276
            17  O4a O     2.2483    1.8207
BOND        19
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   11  15 1
            15   12  16 2
            16   14  17 2
            17    6   7 1
            18    9  10 1
            19   13  16 1


entry: C09229
name: --- - Ochrolifuanine A
formula: C29H34N4
kcf:
ATOM        33
            1   C8y C     3.3448  -11.0320
            2   C1y C     4.1586  -10.9148
            3   C8y C     2.8414  -10.3768
            4   N4x N     2.8828  -11.7113
            5   N1y N     4.4759  -10.1630
            6   C1x C     4.6552  -11.5734
            7   C8y C     2.0621  -10.6527
            8   C1x C     3.1586   -9.6148
            9   C8y C     2.0897  -11.4803
            10  C1x C     5.2897  -10.0561
            11  C1x C     3.9793   -9.5079
            12  C1y C     5.4690  -11.4699
            13  C8x C     1.3310  -10.2665
            14  C8x C     1.3966  -11.9251
            15  C1y C     5.7897  -10.7113
            16  C1b C     6.2069  -11.8389
            17  C8x C     0.6310  -10.7044
            18  C8x C     0.6621  -11.5355
            19  C1b C     6.6069  -10.6251
            20  C1y C     6.2552  -12.6596
            21  C1a C     6.9345   -9.8630
            22  C8y C     6.9966  -13.0286
            23  N1x N     5.5655  -13.1182
            24  C8y C     7.0483  -13.8527
            25  N4x N     7.7655  -12.7251
            26  C1x C     5.6172  -13.9458
            27  C8y C     7.8483  -14.0561
            28  C1x C     6.3621  -14.3148
            29  C8y C     8.2931  -13.3596
            30  C8x C     8.2276  -14.7837
            31  C8x C     9.1138  -13.3975
            32  C8x C     9.0517  -14.8217
            33  C8x C     9.4931  -14.1286
BOND        39
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1 #Down
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   22  24 2
            24   22  25 1
            25   23  26 1
            26   24  27 1
            27   24  28 1
            28   25  29 1
            29   27  30 1
            30   29  31 1
            31   30  32 2
            32   31  33 2
            33    7   9 2
            34    8  11 1
            35   12  15 1
            36   17  18 1
            37   26  28 1
            38   27  29 2
            39   32  33 1


entry: C09230
name: --- - Olivacine
formula: C17H14N2
kcf:
ATOM        19
            1   C8y C    -0.4069   -0.0345
            2   C8y C     0.0759   -0.7000
            3   C8y C    -1.1931   -0.2966
            4   C8x C    -0.0759    0.7207
            5   C8y C     0.8966   -0.6138
            6   N4x N    -0.4000   -1.3724
            7   C8y C    -1.1862   -1.1241
            8   C8x C    -1.9138    0.1103
            9   C8y C     0.7448    0.8069
            10  C8y C     1.2310    0.1414
            11  C1a C     1.3759   -1.2828
            12  C8x C    -1.8931   -1.5483
            13  C8x C    -2.6276   -0.3138
            14  C8y C     1.0759    1.5586
            15  C8x C     2.0483    0.2276
            16  C8x C    -2.6172   -1.1448
            17  N5x N     1.8931    1.6448
            18  C1a C     0.6000    2.2379
            19  C8x C     2.3793    0.9793
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   12  16 2
            16   14  17 2
            17   14  18 1
            18   15  19 2
            19    6   7 1
            20    9  10 1
            21   13  16 1
            22   17  19 1


entry: C09231
name: --- - Perlolyrine
formula: C16H12N2O2
kcf:
ATOM        20
            1   C8y C    -0.1138    0.3897
            2   C8y C    -0.6000    1.0586
            3   C8y C     0.7069    0.4759
            4   N4x N    -0.5931   -0.2793
            5   C8y C    -1.3862    0.8000
            6   C8x C    -0.2586    1.8103
            7   C8y C     1.1862   -0.1966
            8   N5x N     1.0379    1.2276
            9   C8y C    -1.3828   -0.0241
            10  C8x C    -2.1000    1.2069
            11  C8x C     0.5586    1.8966
            12  O2x O     0.9241   -0.9793
            13  C8x C     2.0138   -0.2069
            14  C8x C    -2.0862   -0.4517
            15  C8x C    -2.8172    0.7862
            16  C8y C     1.5897   -1.4690
            17  C8x C     2.2586   -0.9931
            18  C8x C    -2.8103   -0.0414
            19  C1b C     1.5793   -2.2931
            20  O1a O     2.2862   -2.7172
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13    9  14 1
            14   10  15 2
            15   12  16 1
            16   13  17 1
            17   14  18 2
            18   16  19 1
            19   19  20 1
            20    5   9 2
            21    8  11 1
            22   15  18 1
            23   16  17 2


entry: C09232
name: --- - Physovenine
formula: C14H18N2O3
kcf:
ATOM        19
            1   C8y C     6.1760  -11.6872
            2   C1z C     6.9725  -11.4561
            3   C8y C     6.1518  -12.5113
            4   C8x C     5.4691  -11.2561
            5   C1y C     7.4311  -12.1389
            6   C1x C     7.4760  -10.8079
            7   C1a C     6.5484  -10.7355
            8   N1y N     6.9311  -12.7941
            9   C8x C     5.4311  -12.9148
            10  C8y C     4.7415  -11.6527
            11  O2x O     8.2208  -11.9113
            12  C1x C     8.2484  -11.0906
            13  C1a C     7.1415  -13.5906
            14  C8x C     4.7208  -12.4803
            15  O7a O     4.0346  -11.2217
            16  C7a C     3.3105  -11.6148
            17  N1b N     2.6036  -11.1837
            18  O7a O     3.3036  -12.4424
            19  C1a C     1.8794  -11.5768
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 1
            15   15  16 1
            16   16  17 1
            17   16  18 2
            18   17  19 1
            19    5   8 1
            20   10  14 1
            21   11  12 1


entry: C09233
name: --- - Psychotridine
formula: C55H62N10
kcf:
ATOM        65
            1   C8x C     8.2894  -11.3986
            2   C8x C     9.1057  -11.4218
            3   C8x C     9.5341  -10.7259
            4   C8x C     7.9014  -10.6794
            5   C8y C     8.3296   -9.9876
            6   C8y C     9.1466  -10.0100
            7   N1x N     9.4229   -9.2361
            8   C1z C     8.1000   -9.2000
            9   C1y C     8.7745   -8.7376
            10  N1y N     8.5420   -7.9510
            11  C1x C     7.7212   -7.9306
            12  C1x C     7.4455   -8.7044
            13  N1x N     6.3793   -8.5140
            14  C8x C     5.7350  -11.3676
            15  C8x C     5.7911  -10.5529
            16  C8y C     5.1087  -10.0968
            17  C8x C     4.9966  -11.7263
            18  C8y C     4.3226  -11.2706
            19  C8y C     4.3778  -10.4552
            20  N1x N     3.6197  -10.1522
            21  C1z C     3.5305  -11.4726
            22  C1y C     3.0915  -10.7799
            23  N1y N     2.2961  -10.9806
            24  C1x C     2.2427  -11.7999
            25  C1x C     3.0049  -12.1024
            26  C8y C     6.6440   -9.2869
            27  C8y C     5.9861   -9.7730
            28  C8x C     6.0776  -10.5868
            29  C8x C     6.8270  -10.9145
            30  C8x C     7.4849  -10.4325
            31  C8y C     7.3976   -9.6146
            32  C1z C     5.3207   -9.2996
            33  C1y C     5.5620   -8.5242
            34  N1y N     4.9008   -8.0527
            35  C1x C     4.2458   -8.5384
            36  C1x C     4.5078   -9.3084
            37  C1a C     1.7125  -10.4000
            38  C1a C     4.8958   -7.2333
            39  C1a C     9.2458   -7.5375
            40  C8x C     1.1368  -13.8982
            41  C8x C     0.5936  -14.5113
            42  C8x C     0.8516  -15.2868
            43  C8x C     1.9380  -14.0648
            44  C8y C     2.1929  -14.8375
            45  C8y C     1.6541  -15.4474
            46  N1x N     2.0690  -16.1547
            47  C1z C     2.9417  -15.1625
            48  C1y C     2.8682  -15.9799
            49  N1y N     3.6212  -16.3047
            50  C1x C     4.1609  -15.6906
            51  C1x C     3.7426  -14.9811
            52  C8x C     2.2417  -13.1208
            53  C8x C     2.2417  -13.9375
            54  C8y C     2.9495  -14.3458
            55  C8x C     2.9495  -12.7125
            56  C8y C     3.6574  -13.1208
            57  C8y C     3.6583  -13.9381
            58  N1x N     4.4354  -14.1882
            59  C1z C     4.4339  -12.8690
            60  C1y C     4.9195  -13.5300
            61  N1y N     5.6991  -13.2752
            62  C1x C     5.6962  -12.4542
            63  C1x C     4.9149  -12.2005
            64  C1a C     3.8292  -17.0917
            65  C1a C     6.2708  -13.8500
BOND        79
            1     5   6 2
            2     6   7 1
            3     7   9 1
            4     8   5 1
            5    14  15 1
            6    32  33 1
            7    33  34 1
            8    34  35 1
            9    35  36 1
            10   36  32 1
            11    8  31 1 #Either
            12   15  16 2
            13   23  37 1
            14   16  19 1
            15   34  38 1
            16   18  17 1
            17   10  39 1
            18   17  14 2
            19    3   6 1
            20    5   4 1
            21    4   1 2
            22   40  41 1
            23   41  42 2
            24   42  45 1
            25   44  43 1
            26   43  40 2
            27   18  19 2
            28   19  20 1
            29   20  22 1
            30   44  45 2
            31   45  46 1
            32   46  48 1
            33   47  44 1
            34   21  18 1
            35    1   2 1
            36    8   9 1
            37    9  10 1
            38   47  48 1
            39   48  49 1
            40   49  50 1
            41   50  51 1
            42   51  47 1
            43   10  11 1
            44   21  22 1
            45   22  23 1
            46   23  24 1
            47   52  53 1
            48   53  54 2
            49   54  57 1
            50   56  55 1
            51   55  52 2
            52   24  25 1
            53   25  21 1
            54   32  16 1 #Either
            55   56  57 2
            56   57  58 1
            57   58  60 1
            58   59  56 1
            59   11  12 1
            60   12   8 1
            61    2   3 2
            62   33  13 1
            63   13  26 1
            64   59  60 1
            65   60  61 1
            66   61  62 1
            67   62  63 1
            68   63  59 1
            69   47  54 1 #Either
            70   27  32 1
            71   49  64 1
            72   26  27 2
            73   61  65 1
            74   21  59 1 #Either
            75   27  28 1
            76   28  29 2
            77   29  30 1
            78   30  31 2
            79   31  26 1


entry: C09234
name: --- - Quadrigemine A
formula: C44H50N8
kcf:
ATOM        52
            1   N1x N    18.6376  -11.3099
            2   C8x C    17.9933  -14.1510
            3   C8x C    18.0494  -13.3404
            4   C8y C    17.3712  -12.8844
            5   C8x C    17.2633  -14.5055
            6   C8y C    16.5893  -14.0539
            7   C8y C    16.6445  -13.2427
            8   N1x N    15.8906  -12.9398
            9   C1z C    15.8013  -14.2518
            10  C1y C    15.3623  -13.5633
            11  N1y N    14.5711  -13.7639
            12  C1x C    14.5218  -14.5791
            13  C1x C    15.2799  -14.8816
            14  C8y C    18.9024  -12.0786
            15  C8y C    18.2445  -12.5605
            16  C8x C    18.3359  -13.3702
            17  C8x C    19.0811  -13.6978
            18  C8x C    19.7390  -13.2159
            19  C8x C    19.6476  -12.4063
            20  C1z C    17.5791  -12.0913
            21  C1y C    17.8245  -11.3201
            22  N1y N    17.1633  -10.8527
            23  C1x C    16.5125  -11.3343
            24  C1x C    16.7703  -12.1001
            25  C1a C    13.9917  -13.1834
            26  C1a C    17.1583  -10.0375
            27  C8x C    13.4285  -16.7941
            28  C8x C    12.8853  -17.4030
            29  C8x C    13.1475  -18.1743
            30  C8x C    14.2255  -16.9565
            31  C8y C    14.4804  -17.7292
            32  C8y C    13.9416  -18.3350
            33  N1x N    14.3523  -19.0381
            34  C1z C    15.2250  -18.0500
            35  C1y C    15.1474  -18.8633
            36  N1y N    15.9004  -19.1881
            37  C1x C    16.4401  -18.5740
            38  C1x C    16.0218  -17.8728
            39  C8x C    14.5250  -16.0209
            40  C8x C    14.5250  -16.8334
            41  C8y C    15.2329  -17.2375
            42  C8x C    15.2329  -15.6125
            43  C8y C    15.9324  -16.0209
            44  C8y C    15.9333  -16.8340
            45  N1x N    16.7104  -17.0841
            46  C1z C    16.7089  -15.7690
            47  C1y C    17.1903  -16.4258
            48  N1y N    17.9658  -16.1710
            49  C1x C    17.9629  -15.3542
            50  C1x C    17.1858  -15.1047
            51  C1a C    16.1083  -19.9709
            52  C1a C    18.5375  -16.7459
BOND        63
            1     6   5 1
            2    22  26 1
            3     9  10 1
            4    10  11 1
            5    11  12 1
            6    12  13 1
            7    27  28 1
            8    28  29 2
            9    29  32 1
            10   31  30 1
            11   30  27 2
            12   13   9 1
            13   20   4 1 #Either
            14    5   2 2
            15   31  32 2
            16   32  33 1
            17   33  35 1
            18   34  31 1
            19   21   1 1
            20    1  14 1
            21    6   7 2
            22    7   8 1
            23   34  35 1
            24   35  36 1
            25   36  37 1
            26   37  38 1
            27   38  34 1
            28   14  15 2
            29   15  16 1
            30   16  17 2
            31   17  18 1
            32   39  40 1
            33   40  41 2
            34   41  44 1
            35   43  42 1
            36   42  39 2
            37   18  19 2
            38   19  14 1
            39    8  10 1
            40   43  44 2
            41   44  45 1
            42   45  47 1
            43   46  43 1
            44    9   6 1
            45   15  20 1
            46    2   3 1
            47    3   4 2
            48   20  21 1
            49   46  47 1
            50   47  48 1
            51   48  49 1
            52   49  50 1
            53   50  46 1
            54   34  41 1 #Either
            55   21  22 1
            56   36  51 1
            57   22  23 1
            58   48  52 1
            59   23  24 1
            60   24  20 1
            61    9  46 1 #Either
            62    4   7 1
            63   11  25 1


entry: C09235
name: --- - (-)-Quebrachamine - Quebrachamine
formula: C19H26N2
kcf:
ATOM        21
            1   C1x C     5.6114  -13.5144
            2   C8y C     4.9300  -13.0544
            3   C1x C     6.3756  -13.0682
            4   C8y C     4.9300  -12.2377
            5   N4x N     4.2443  -13.4586
            6   C1z C     6.3756  -12.2860
            7   C8y C     3.5207  -12.2377
            8   C1x C     4.4864  -11.5659
            9   C8y C     3.5207  -13.0544
            10  C1x C     5.6873  -11.9122
            11  C1x C     7.0784  -11.7873
            12  C8x C     2.8289  -11.8329
            13  C1x C     4.9575  -10.9672
            14  C8x C     2.8289  -13.4586
            15  N1y N     5.6873  -11.1617
            16  C1x C     7.0612  -11.0955
            17  C8x C     2.1750  -12.2377
            18  C8x C     2.1750  -13.0544
            19  C1x C     6.3722  -10.7010
            20  C1b C     7.1084  -12.7083
            21  C1a C     7.9542  -12.7083
BOND        24
            1     1   3 1
            2     2   4 2
            3     2   5 1
            4     6   3 1 #Down
            5     4   7 1
            6     4   8 1
            7     5   9 1
            8     6  10 1 #Up
            9     6  11 1
            10    7  12 1
            11    8  13 1
            12    9  14 1
            13   15  10 1 #Up
            14   11  16 1
            15   12  17 2
            16   14  18 2
            17   15  19 1
            18    7   9 2
            19   13  15 1
            20   16  19 1
            21   17  18 1
            22    6  20 1 #Up
            23    1   2 1
            24   20  21 1


entry: C09236
name: --- - Rhyncophylline
formula: C22H28N2O4
kcf:
ATOM        28
            1   C1z C    15.2233  -14.1913
            2   C1x C    15.2370  -12.8262
            3   C1x C    14.7376  -13.5059
            4   C8x C    12.9708  -14.4458
            5   C8x C    12.9708  -15.2875
            6   C8x C    13.6995  -15.7125
            7   C8x C    13.6995  -14.0250
            8   C8y C    14.4240  -14.4458
            9   C8y C    14.4235  -15.2838
            10  N1x N    15.2211  -15.5422
            11  C5x C    15.7167  -14.8697
            12  N1y N    16.0378  -13.0988
            13  C1y C    16.0247  -13.9415
            14  C1x C    16.7502  -14.3742
            15  C1x C    16.7765  -12.6887
            16  C1y C    17.4979  -13.1215
            17  C1y C    17.4833  -13.9623
            18  C2c C    18.2064  -14.3954
            19  C2b C    18.9334  -13.9709
            20  C7a C    18.2000  -15.2292
            21  O7a O    18.9208  -15.6500
            22  C1a C    18.9167  -16.4875
            23  O7a O    17.4667  -15.6459
            24  O2a O    18.9292  -13.1292
            25  C1a C    19.6542  -12.7042
            26  C1b C    18.2250  -12.6958
            27  C1a C    18.2209  -11.8542
            28  O5x O    16.3000  -15.3708
BOND        31
            1    13  14 1
            2    14  17 1
            3    16  15 1
            4    15  12 1
            5     8   7 1
            6     7   4 2
            7     3   1 1
            8    16  17 1
            9    17  18 1
            10   18  19 2
            11    1  13 1
            12   18  20 1
            13   12   2 1
            14   20  21 1
            15    8   9 2
            16   21  22 1
            17    9  10 1
            18   20  23 2
            19   10  11 1
            20   19  24 1
            21    1  11 1 #Up
            22   24  25 1
            23    1   8 1 #Down
            24   16  26 1 #Down
            25    2   3 1
            26   26  27 1
            27    4   5 1
            28    5   6 2
            29    6   9 1
            30   11  28 2
            31   12  13 1


entry: C09237
name: --- - Roxburghine B
formula: C31H32N4O2
kcf:
ATOM        37
            1   C8x C     1.0085  -11.7735
            2   C8x C     0.9984  -12.6026
            3   C8x C     1.7136  -13.0280
            4   C8x C     1.7339  -11.3698
            5   C8y C     2.4450  -11.7910
            6   C8y C     2.4313  -12.6221
            7   N4x N     3.2178  -12.8948
            8   C8y C     3.2397  -11.5484
            9   C8y C     3.7105  -12.2296
            10  C1x C     4.4165  -10.7289
            11  C1x C     3.5907  -10.7981
            12  N1y N     4.8914  -11.4101
            13  C1y C     4.5343  -12.1569
            14  C1x C     5.0051  -12.8380
            15  C1x C     5.7152  -11.3445
            16  C1y C     6.1818  -12.0256
            17  C1y C     5.8289  -12.7687
            18  C2y C     6.2924  -13.4437
            19  C2x C     7.1129  -13.3799
            20  C1z C     7.0023  -11.9618
            21  N1y N     7.4682  -12.6377
            22  C1x C     8.2886  -12.5758
            23  C1x C     8.6431  -11.8338
            24  C8y C     7.3609  -11.2198
            25  C8y C     8.1824  -11.1588
            26  N4x N     7.0462  -10.4572
            27  C8y C     7.6757   -9.9233
            28  C8y C     8.3765  -10.3591
            29  C8x C     9.1027   -9.9675
            30  C8x C     9.1282   -9.1443
            31  C8x C     8.4275   -8.7126
            32  C8x C     7.7012   -9.1001
            33  C1a C     6.5450  -11.2680
            34  C7a C     5.9341  -14.1863
            35  O7a O     6.4027  -14.8703
            36  C1a C     6.0444  -15.6154
            37  O7a O     5.1072  -14.2478
BOND        44
            1    17  18 1
            2    18  19 2
            3    19  21 1
            4    20  16 1
            5     4   1 2
            6     8   9 2
            7     9  13 1
            8    20  21 1
            9    21  22 1
            10   22  23 1
            11   23  25 1
            12   24  20 1
            13   12  10 1
            14   10  11 1
            15   11   8 1
            16   24  25 2
            17   25  28 1
            18   27  26 1
            19   26  24 1
            20    1   2 1
            21    2   3 2
            22    5   6 2
            23    6   7 1
            24   12  13 1
            25   13  14 1
            26   27  28 2
            27   28  29 1
            28   29  30 2
            29   30  31 1
            30   31  32 2
            31   32  27 1
            32   14  17 1
            33   20  33 1 #Up
            34   16  15 1
            35   15  12 1
            36    7   9 1
            37    8   5 1
            38   18  34 1
            39    3   6 1
            40   34  35 1
            41    5   4 1
            42   35  36 1
            43   16  17 1
            44   34  37 2


entry: C09238
name: --- - Rutecarpine
formula: C18H13N3O
kcf:
ATOM        22
            1   C8x C     1.8221  -12.0622
            2   C8x C     1.8313  -12.8913
            3   C8x C     2.5562  -13.2958
            4   C8x C     2.5378  -11.6376
            5   C8y C     3.2586  -12.0463
            6   C8y C     3.2643  -12.8775
            7   N4x N     4.0568  -13.1276
            8   C8y C     4.0475  -11.7811
            9   C8y C     4.5339  -12.4511
            10  C1x C     5.2049  -10.9344
            11  C1x C     4.3809  -11.0270
            12  N4y N     5.6955  -11.6044
            13  C8y C     5.3558  -12.3592
            14  N5x N     5.8423  -13.0293
            15  C8y C     6.5175  -11.5197
            16  C8y C     6.9998  -12.1897
            17  C8y C     6.6643  -12.9408
            18  C8x C     7.1476  -13.6090
            19  C8x C     7.9664  -13.5261
            20  C8x C     7.8186  -12.1068
            21  C8x C     8.3001  -12.7759
            22  O5x O     6.8537  -10.7615
BOND        26
            1     9  13 1
            2    12  10 1
            3    10  11 1
            4    11   8 1
            5     1   2 1
            6     2   3 2
            7     5   6 2
            8     6   7 1
            9    12  13 1
            10   13  14 2
            11   14  17 1
            12   16  15 1
            13   15  12 1
            14    7   9 1
            15    8   5 1
            16    3   6 1
            17    5   4 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  21 1
            22   20  16 1
            23    4   1 2
            24   20  21 2
            25    8   9 2
            26   15  22 2


entry: C09239
name: --- - Sarpagine
formula: C19H22N2O2
kcf:
ATOM        23
            1   C8y C     4.3890  -12.5573
            2   C8y C     4.8156  -13.1638
            3   C8y C     3.6737  -12.7806
            4   C1x C     4.6971  -11.8834
            5   C1y C     5.4972  -13.0039
            6   N4x N     4.3787  -13.7634
            7   C8y C     3.6744  -13.5256
            8   C8x C     3.0342  -12.4043
            9   C1y C     6.5144  -10.7787
            10  C1y C     5.4393  -11.8124
            11  N1y N     5.8700  -12.4189
            12  C1x C     6.0830  -13.3361
            13  C8x C     3.0342  -13.9019
            14  C8y C     2.3877  -12.7806
            15  C1y C     6.5110  -12.7427
            16  C1x C     6.8970  -12.2555
            17  C8x C     2.3877  -13.5256
            18  C2y C     7.4820  -12.6318
            19  C2b C     8.2105  -12.7937
            20  C1a C     8.4303  -13.5125
            21  C1b C     7.1791  -10.3917
            22  O1a O     7.8500  -10.7750
            23  O1a O     1.7125  -12.3917
BOND        27
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 2
            5     3   8 1
            6     4  10 1
            7     5  11 1
            8     5  12 1
            9     7  13 1
            10    8  14 2
            11   15   9 1 #Up
            12   11  16 1
            13   13  17 2
            14   15  18 1
            15   18  19 2
            16   19  20 1
            17    6   7 1
            18   10   9 1 #Up
            19   10  11 1
            20   12  15 1
            21   14  17 1
            22   16  18 1
            23    9  21 1
            24    1   2 2
            25   21  22 1
            26    1   3 1
            27   14  23 1


entry: C09240
name: --- - Sempervirine
formula: C19H16N2
kcf:
ATOM        21
            1   C8x C     1.8272  -11.9216
            2   C8x C     1.8301  -12.7507
            3   C8x C     2.5519  -13.1607
            4   C8x C     2.5461  -11.5024
            5   C8y C     3.2637  -11.9166
            6   C8y C     3.2632  -12.7477
            7   N5x N     4.0537  -13.0039 #-
            8   C8y C     4.0546  -11.6574
            9   C8y C     4.5360  -12.3310
            10  C8x C     5.2184  -10.8194
            11  C8x C     4.3937  -10.9016
            12  N5y N     5.7039  -11.4931 #+
            13  C8y C     5.3586  -12.2453
            14  C8x C     5.8400  -12.9190
            15  C8x C     6.5265  -11.4146
            16  C8y C     7.0038  -12.0883
            17  C8y C     6.6626  -12.8368
            18  C1x C     7.1408  -13.5086
            19  C1x C     7.9602  -13.4319
            20  C1x C     7.8231  -12.0115
            21  C1x C     8.2997  -12.6842
BOND        25
            1     8   9 2
            2     9  13 1
            3    12  10 1
            4    10  11 2
            5    11   8 1
            6     1   2 1
            7     2   3 2
            8     5   6 2
            9     6   7 1
            10   12  13 2
            11   13  14 1
            12   14  17 2
            13   16  15 2
            14   15  12 1
            15    7   9 1
            16    8   5 1
            17    3   6 1
            18    5   4 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  21 1
            23   20  16 1
            24    4   1 2
            25   20  21 1


entry: C09241
name: --- - Serpentine - Serpentine (alkaloid)
formula: C21H20N2O3
kcf:
ATOM        26
            1   C8x C     1.8201  -10.9296
            2   C8x C     1.8435  -11.7584
            3   C8x C     2.5753  -12.1546
            4   C8x C     2.5284  -10.4969
            5   C8y C     3.2560  -10.8890
            6   C8y C     3.2761  -11.7200
            7   N5x N     4.0728  -11.9606 #-
            8   C8y C     4.0403  -10.6145
            9   C8y C     4.5382  -11.2760
            10  C8x C     5.1830   -9.7480
            11  C8x C     4.3606   -9.8505
            12  N5y N     5.6850  -10.4094 #+
            13  C8y C     5.3584  -11.1699
            14  C1x C     5.8563  -11.8274
            15  C1x C     6.5054  -10.3106
            16  C1y C     6.9992  -10.9680
            17  C1y C     6.6766  -11.7248
            18  C2y C     7.1672  -12.3846
            19  C2x C     7.9844  -12.2876
            20  C1y C     7.8164  -10.8710
            21  O2x O     8.3094  -11.5317
            22  C1a C     8.1531  -10.1129
            23  C7a C     6.8368  -13.1436
            24  O7a O     7.2458  -13.8583
            25  C1a C     6.8375  -14.5750
            26  O7a O     6.0291  -13.3541
BOND        30
            1     5   6 2
            2     6   7 1
            3    12  13 2
            4    13  14 1
            5    14  17 1
            6    16  15 1
            7    15  12 1
            8     7   9 1
            9     8   5 1
            10    3   6 1
            11    5   4 1
            12   16  17 1
            13   17  18 1
            14   18  19 2
            15   19  21 1
            16   20  16 1
            17    4   1 2
            18   20  21 1
            19    8   9 2
            20   20  22 1 #Down
            21    9  13 1
            22   18  23 1
            23   12  10 1
            24   10  11 2
            25   11   8 1
            26   23  24 1
            27    1   2 1
            28   24  25 1
            29    2   3 2
            30   23  26 2


entry: C09242
name: --- - Tabernamine
formula: C40H48N4O2
kcf:
ATOM        46
            1   C1y C     6.3956  -11.2534
            2   C1y C     6.8202  -10.6822
            3   C1x C     6.9674  -11.7164
            4   C1y C     7.4845  -11.1042
            5   C1y C     7.9624  -10.6069
            6   C1x C     8.5750  -11.0725
            7   C1b C     8.1944   -9.8178
            8   C8y C     4.5946  -10.8389
            9   N4x N     5.2663  -11.7801
            10  C8y C     4.5954  -11.5505
            11  C8x C     3.9719  -10.4793
            12  C8x C     3.9719  -11.9102
            13  C8x C     3.3586  -10.8389
            14  C8y C     3.3586  -11.5505
            15  C8y C     5.6823  -11.2054
            16  C8y C     5.2788  -10.6284
            17  C1x C     5.4788   -9.9421
            18  C1x C     6.1352   -9.6700
            19  N1y N     6.7535  -10.0165
            20  C1x C     7.2667   -9.0541
            21  C1a C     8.9972   -9.6275
            22  C2b C    -0.1197  -11.4098
            23  C1a C     0.4006  -10.7845
            24  C1x C     1.8155  -13.6699
            25  C1y C     1.0874  -13.2968
            26  C1y C     0.8363  -12.5165
            27  C1y C     1.2108  -11.7874
            28  C1x C     1.9886  -11.5436
            29  C1y C     2.7167  -11.9167
            30  C8y C     2.9720  -12.6992
            31  C8y C     2.5933  -13.4220
            32  N4x N     3.7801  -12.8363
            33  C8y C     3.9006  -13.6470
            34  C8y C     3.1662  -14.0073
            35  C8x C     3.1193  -14.8200
            36  C8x C     3.7985  -15.2724
            37  C8x C     4.5288  -14.9163
            38  C8x C     4.5798  -14.1035
            39  N1y N     0.3154  -13.5786
            40  C1x C    -0.1653  -12.9151
            41  C2y C     0.1720  -12.1711
            42  C7a C     1.6542  -12.5125
            43  O7a O     1.6500  -13.3333
            44  C1a C     2.3584  -12.9167
            45  O7a O     2.0625  -11.7958
            46  C1a C     0.0959  -14.3667
BOND        54
            1     3   4 1
            2     5   6 1
            3    22  23 1
            4     1   2 1
            5     1   3 1
            6     2   5 1
            7    16   8 1
            8    15   9 1
            9     8  10 2
            10   24  25 1
            11   25  26 1 #Up
            12   27  26 1 #Up
            13   27  28 1
            14   28  29 1
            15   29  30 1
            16   31  24 1
            17    8  11 1
            18   10  12 1
            19   11  13 2
            20   30  31 2
            21   31  34 1
            22   33  32 1
            23   32  30 1
            24   12  14 2
            25    9  10 1
            26   13  14 1
            27   15  16 2
            28   16  17 1
            29   15   1 1
            30   33  34 2
            31   34  35 1
            32   35  36 2
            33   36  37 1
            34   37  38 2
            35   38  33 1
            36   17  18 1
            37   25  39 1
            38   18  19 1
            39   39  40 1
            40    2  19 1
            41   40  41 1
            42   41  27 1
            43   22  41 2
            44   14  29 1
            45   19  20 1 #Up
            46   26  42 1
            47    4  20 1 #Up
            48   42  43 1
            49    4   6 1
            50   43  44 1
            51    7  21 1
            52   42  45 2
            53    5   7 1 #Up
            54   39  46 1


entry: C09243
name: --- - Tetrahydroharmine
formula: C13H16N2O
kcf:
ATOM        16
            1   C8y C     5.9517  -11.7503
            2   C8y C     5.1586  -12.0055
            3   C8y C     6.4345  -12.4262
            4   C1x C     6.2931  -10.9951
            5   C8y C     5.1552  -12.8365
            6   C8x C     4.4448  -11.5917
            7   N4x N     5.9448  -13.0986
            8   C1y C     7.2586  -12.3469
            9   C1x C     7.1172  -10.9158
            10  C8x C     4.4448  -13.2469
            11  C8x C     3.7241  -12.0055
            12  N1x N     7.6000  -11.5917
            13  C1a C     7.8414  -12.9331
            14  C8y C     3.7241  -12.8365
            15  O2a O     3.0103  -13.2469
            16  C1a C     2.2897  -12.8365
BOND        18
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    8  12 1
            12    8  13 1 #Down
            13   10  14 2
            14   14  15 1
            15   15  16 1
            16    5   7 1
            17    9  12 1
            18   11  14 1


entry: C09244
name: --- - Tabersonine
formula: C21H24N2O2
kcf:
ATOM        25
            1   C1z C     5.0624  -11.3540
            2   C1y C     5.7626  -10.9470
            3   C2y C     5.0658  -12.1584
            4   C8y C     3.6770  -11.3540
            5   C1x C     4.5512  -10.6924
            6   C1z C     6.4664  -11.3505
            7   N1y N     5.7557  -10.1321
            8   C2y C     5.7695  -12.5627
            9   N1x N     4.3697  -12.5627
            10  C8y C     3.6770  -12.1584
            11  C8x C     2.9809  -10.9573
            12  C1x C     4.9582  -10.0832
            13  C1x C     6.4733  -12.1619
            14  C2x C     7.1694  -10.9401
            15  C1b C     7.1487  -11.7445
            16  C1x C     6.4629   -9.7209
            17  C8x C     2.9809  -12.5662
            18  C8x C     2.2951  -11.3540
            19  C2x C     7.1728  -10.1252
            20  C1a C     7.8345  -11.3471
            21  C8x C     2.2951  -12.1584
            22  C7a C     5.7667  -13.3791
            23  O7a O     6.4792  -13.7833
            24  O7a O     5.0542  -13.7833
            25  C1a C     6.4750  -14.6041
BOND        29
            1     1   5 1 #Up
            2     2   6 1
            3     2   7 1
            4     3   8 2
            5     3   9 1
            6     4  10 2
            7     4  11 1
            8     5  12 1
            9     6  13 1
            10    6  14 1
            11    6  15 1 #Down
            12    7  16 1
            13   10  17 1
            14   11  18 2
            15   14  19 2
            16   15  20 1
            17   17  21 2
            18    7  12 1
            19    8  13 1
            20    9  10 1
            21   16  19 1
            22   18  21 1
            23    8  22 1
            24    1   2 1
            25   22  23 1
            26    1   3 1
            27   22  24 2
            28    1   4 1
            29   23  25 1


entry: C09245
name: --- - Thienodolin
formula: C11H7ClN2OS
kcf:
ATOM        16
            1   C8y C     0.1414    0.2034
            2   C8y C     0.6310   -0.4690
            3   C8y C    -0.6448   -0.0552
            4   C8x C     0.6241    0.8759
            5   N4x N     0.1414   -1.1345
            6   S2x S     1.4172   -0.2069
            7   C8y C    -0.6448   -0.8793
            8   C8x C    -1.3552    0.3586
            9   C8y C     1.4138    0.6207
            10  C8x C    -1.3552   -1.2931
            11  C8x C    -2.0724   -0.0552
            12  C5a C     1.9931    1.2034
            13  C8y C    -2.0724   -0.8793
            14  N1a N     2.7897    0.9931
            15  O5a O     1.7759    2.0035
            16  X   Cl   -2.7897   -1.2862
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     7  10 1
            10    8  11 2
            11    9  12 1
            12   10  13 2
            13   12  14 1
            14   12  15 2
            15   13  16 1
            16    5   7 1
            17    6   9 1
            18   11  13 1


entry: C09246
name: --- - Toxiferine I
formula: C40H46N4O2
kcf:
ATOM        46
            1   C1z C     5.9094  -13.8113
            2   C1y C     5.4611  -13.1251
            3   C1y C     5.5370  -14.4975
            4   C8y C     6.7025  -13.5975
            5   C1x C     6.8749  -14.2630
            6   C2y C     4.7852  -13.1389
            7   N1y N     5.9783  -12.4872
            8   N2y N     5.9094  -15.1734 #+
            9   C1x C     4.7576  -14.4803
            10  C8y C     6.7232  -12.8217
            11  C8x C     7.3680  -14.0148
            12  C1x C     6.6577  -14.9975
            13  C1y C     4.3887  -13.7975
            14  C2x C     4.1266  -12.6182
            15  C2x C     5.9749  -11.6665
            16  C1x C     5.2335  -15.5458
            17  C1a C     6.2852  -15.8527
            18  C8x C     7.4128  -12.4527
            19  C8x C     8.0577  -13.6389
            20  C2y C     3.9852  -14.4630
            21  N1y N     4.1301  -11.8044
            22  C2y C     5.4335  -11.1389
            23  C8x C     8.0818  -12.8596
            24  C2b C     3.1680  -14.4458
            25  C1y C     4.6197  -11.1389
            26  C8y C     3.3507  -11.5458
            27  C1y C     5.7680  -10.4423
            28  C1b C     2.7818  -13.7286
            29  C1z C     4.1404  -10.4734
            30  C8y C     3.3749  -10.7630
            31  C8x C     2.6611  -11.9148
            32  C1x C     5.3680   -9.7734
            33  C2y C     6.1404   -9.7596
            34  O1a O     1.9576  -13.7217
            35  C1y C     4.5887   -9.7906
            36  C1x C     3.2645  -10.0906
            37  C8x C     2.7128  -10.3492
            38  C8x C     1.9990  -11.5079
            39  C1x C     4.8473   -8.7320
            40  C2b C     6.9577   -9.7423
            41  N2y N     4.1852   -9.1320 #+
            42  C1x C     3.4507   -9.3458
            43  C8x C     2.0232  -10.7217
            44  C1b C     7.3783  -10.4389
            45  C1a C     3.7887   -8.4734
            46  O1a O     8.1956  -10.4389
BOND        56
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 1 #Down
            17   10  18 1
            18   11  19 2
            19   13  20 1
            20   14  21 1
            21   15  22 2
            22   18  23 2
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   22  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30   26  31 2
            31   27  32 1
            32   27  33 1
            33   28  34 1
            34   29  35 1
            35   29  36 1 #Up
            36   30  37 2
            37   31  38 1
            38   33  39 1
            39   33  40 2
            40   35  41 1
            41   36  42 1
            42   37  43 1
            43   40  44 1
            44   41  45 1 #Down
            45   44  46 1
            46    7  10 1
            47    8  12 1
            48    9  13 1
            49   16  20 1
            50   19  23 1
            51   22  25 1
            52   29  30 1
            53   32  35 1
            54   38  43 2
            55   39  41 1
            56   41  42 1


entry: C09247
name: --- - Trichotomine
formula: C30H20N4O6
kcf:
ATOM        40
            1   N1y N     6.4721  -12.9806
            2   C2y C     6.8066  -12.2220
            3   C1y C     6.9549  -13.6530
            4   C5x C     5.6480  -12.8944
            5   C8y C     7.6307  -12.1427
            6   C2x C     6.1893  -11.6668
            7   C1x C     7.7755  -13.5703
            8   C6a C     6.6135  -14.4047
            9   C2y C     5.4755  -12.0841
            10  O5x O     5.0549  -13.4806
            11  C8y C     8.1169  -12.8151
            12  N4x N     8.1135  -11.4703
            13  O6a O     7.0928  -15.0737
            14  O6a O     5.8100  -14.6151
            15  C2y C     4.6445  -12.0841
            16  C8y C     8.9066  -12.5530
            17  C8y C     8.9031  -11.7254
            18  C5x C     4.4755  -11.2737
            19  C2x C     3.9307  -12.4944
            20  C8x C     9.6204  -12.9703
            21  C8x C     9.6204  -11.3116
            22  N1y N     3.6514  -11.1841
            23  O5x O     5.0583  -10.6806
            24  C2y C     3.3135  -11.9427
            25  C8x C    10.3376  -12.5530
            26  C8x C    10.3376  -11.7254
            27  C1y C     3.1686  -10.5151
            28  C8y C     2.4928  -12.0220
            29  C1x C     2.3480  -10.5978
            30  C6a C     3.5066   -9.7599
            31  C8y C     2.0066  -11.3530
            32  N4x N     2.0066  -12.6978
            33  O6a O     4.3273   -9.6737
            34  O6a O     2.9135   -9.1668
            35  C8y C     1.2169  -11.6082
            36  C8y C     1.2169  -12.4392
            37  C8x C     0.4997  -11.1944
            38  C8x C     0.4997  -12.8530
            39  C8x C    -0.2141  -11.6082
            40  C8x C    -0.2141  -12.4392
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    8  13 1
            13    8  14 2
            14    9  15 2
            15   11  16 1
            16   12  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 1
            22   18  23 2
            23   19  24 2
            24   20  25 2
            25   21  26 2
            26   22  27 1
            27   24  28 1
            28   27  29 1
            29   27  30 1 #Up
            30   28  31 2
            31   28  32 1
            32   30  33 1
            33   30  34 2
            34   31  35 1
            35   32  36 1
            36   35  37 1
            37   36  38 1
            38   37  39 2
            39   38  40 2
            40    6   9 1
            41    7  11 1
            42   16  17 2
            43   22  24 1
            44   25  26 1
            45   29  31 1
            46   35  36 2
            47   39  40 1


entry: C09248
name: --- - Tubulosine
formula: C29H37N3O3
kcf:
ATOM        35
            1   C8y C     6.6906  -13.0797
            2   C8y C     6.7079  -13.9142
            3   C1y C     5.9630  -12.6866
            4   N4x N     7.4768  -12.8073
            5   C8y C     7.5044  -14.1487
            6   C1x C     6.0010  -14.3418
            7   C1b C     5.2458  -12.2694
            8   N1x N     5.2527  -13.1142
            9   C8y C     7.9837  -13.4728
            10  C8x C     7.8596  -14.9039
            11  C1x C     5.2734  -13.9418
            12  C1y C     5.2458  -11.4453
            13  C8x C     8.8148  -13.5453
            14  C8y C     8.6872  -14.9763
            15  C1x C     4.5355  -11.0280
            16  C1y C     5.9665  -11.0418
            17  C8x C     9.1630  -14.2970
            18  O1a O     9.0941  -15.6935
            19  C1y C     4.5424  -10.2039
            20  C1x C     5.9734  -10.2177
            21  C1b C     6.6803  -11.4522
            22  C8y C     3.8286   -9.7901
            23  N1y N     5.2630   -9.7970
            24  C1a C     7.3941  -11.0349
            25  C8y C     3.8320   -8.9591
            26  C8x C     3.1148  -10.2073
            27  C1x C     5.2665   -8.9659
            28  C8x C     3.1148   -8.5487
            29  C1x C     4.5527   -8.5522
            30  C8y C     2.3941   -9.7901
            31  C8y C     2.3941   -8.9591
            32  O2a O     1.6803  -10.2073
            33  O2a O     1.6803   -8.5487
            34  C1a C     0.9630   -9.7901
            35  C1a C     0.9630   -8.9591
BOND        40
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    9  13 1
            13   10  14 2
            14   12  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   16  21 1 #Down
            21   19  22 1
            22   19  23 1
            23   21  24 1
            24   22  25 2
            25   22  26 1
            26   23  27 1
            27   25  28 1
            28   25  29 1
            29   26  30 2
            30   28  31 2
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 1
            35    5   9 2
            36    8  11 1
            37   14  17 1
            38   20  23 1
            39   27  29 1
            40   30  31 1


entry: C09249
name: --- - Usambarensine
formula: C29H28N4
kcf:
ATOM        33
            1   C8y C     3.4969  -10.7876
            2   C1y C     4.3141  -10.6980
            3   C8y C     3.0141  -10.1186
            4   N4x N     3.0176  -11.4600
            5   N1y N     4.6589   -9.9497
            6   C1x C     4.7969  -11.3704
            7   C8y C     2.2245  -10.3738
            8   C1x C     3.3520   -9.3669
            9   C8y C     2.2279  -11.2049
            10  C1x C     5.4796   -9.8704
            11  C1x C     4.1727   -9.2773
            12  C1y C     5.6141  -11.2911
            13  C8x C     1.5107   -9.9600
            14  C8x C     1.5107  -11.6186
            15  C2y C     5.9555  -10.5428
            16  C1b C     6.1934  -11.8738
            17  C8x C     0.7900  -10.3738
            18  C8x C     0.7900  -11.2049
            19  C2b C     6.7762  -10.5393
            20  C8y C     6.1900  -12.7049
            21  C1a C     7.1934  -11.2531
            22  C8y C     6.9072  -13.1221
            23  N5x N     5.4693  -13.1152
            24  C8y C     6.9038  -13.9497
            25  N4x N     7.6934  -12.8669
            26  C8x C     5.4658  -13.9428
            27  C8y C     7.6900  -14.2049
            28  C8x C     6.1796  -14.3635
            29  C8y C     8.1831  -13.5428
            30  C8x C     8.0245  -14.9600
            31  C8x C     9.0038  -13.6324
            32  C8x C     8.8486  -15.0497
            33  C8x C     9.3348  -14.3876
BOND        39
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 2
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 2
            23   22  24 2
            24   22  25 1
            25   23  26 1
            26   24  27 1
            27   24  28 1
            28   25  29 1
            29   27  30 1
            30   29  31 1
            31   30  32 2
            32   31  33 2
            33    7   9 2
            34    8  11 1
            35   12  15 1
            36   17  18 1
            37   26  28 2
            38   27  29 2
            39   32  33 1


entry: C09250
name: --- - Usambarine
formula: C30H34N4
kcf:
ATOM        34
            1   C8y C     3.4982  -10.7886
            2   C1y C     4.3189  -10.6989
            3   C8y C     3.0154  -10.1231
            4   N4x N     3.0189  -11.4610
            5   N1y N     4.6602   -9.9506
            6   C1x C     4.7982  -11.3713
            7   C8y C     2.2292  -10.3782
            8   C1x C     3.3533   -9.3679
            9   C8y C     2.2292  -11.2058
            10  C1x C     5.4809   -9.8713
            11  C1x C     4.1740   -9.2782
            12  C1y C     5.6189  -11.2920
            13  C8x C     1.5120   -9.9610
            14  C8x C     1.5120  -11.6196
            15  C1y C     5.9568  -10.5437
            16  C1b C     6.1947  -11.8782
            17  C8x C     0.7913  -10.3782
            18  C8x C     0.7913  -11.2058
            19  C2b C     6.7775  -10.5403
            20  C1y C     6.1913  -12.7058
            21  C8y C     6.9085  -13.1231
            22  N1y N     5.4706  -13.1162
            23  C8y C     6.9051  -13.9506
            24  N4x N     7.6982  -12.8713
            25  C1x C     5.4671  -13.9437
            26  C1a C     4.7533  -12.7024
            27  C8y C     7.6913  -14.2058
            28  C1x C     6.1844  -14.3644
            29  C8y C     8.1844  -13.5437
            30  C8x C     8.0292  -14.9610
            31  C8x C     9.0051  -13.6334
            32  C8x C     8.8499  -15.0541
            33  C8x C     9.3361  -14.3920
            34  C2a C     7.1870   -9.8241
BOND        40
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1 #Down
            19   16  20 1
            20   20  21 1
            21   20  22 1
            22   21  23 2
            23   21  24 1
            24   22  25 1
            25   22  26 1
            26   23  27 1
            27   23  28 1
            28   24  29 1
            29   27  30 1
            30   29  31 1
            31   30  32 2
            32   31  33 2
            33    7   9 2
            34    8  11 1
            35   12  15 1
            36   17  18 1
            37   25  28 1
            38   27  29 2
            39   32  33 1
            40   19  34 2


