# compounds

entry: C09895
name: --- - Sauroxine
formula: C17H26N2O
kcf:
ATOM        20
            1   C1z C    10.6734  -14.0651
            2   C2y C    11.3526  -14.4560
            3   C1y C    10.6768  -13.2755
            4   C1x C     9.9805  -13.6707
            5   N1y N     9.9908  -14.4595
            6   C2y C    12.0387  -14.0720
            7   C1x C    11.3422  -15.2414
            8   C1y C    11.3595  -12.8846
            9   C1x C     9.9805  -12.8811
            10  C1y C    10.5305  -12.0867
            11  C1x C     9.3116  -14.0651
            12  C1a C     9.9874  -15.2448
            13  C1x C    12.0421  -13.2790
            14  N1x N    12.7143  -14.4767
            15  C1x C    12.0180  -15.6427
            16  C1x C    11.3318  -12.0867
            17  C1x C     9.3116  -13.2755
            18  C5x C    12.7040  -15.2621
            19  O5x O    13.3866  -15.6496
            20  C1a C    10.0649  -11.4352
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            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 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    8  16 1 #Up
            16    9  17 1
            17   14  18 1
            18   18  19 2
            19    8  13 1
            20   11  17 1
            21   15  18 1
            22   16  10 1
            23   10  20 1 #Down


entry: C09896
name: --- - Rotundifolone
formula: C10H14O2
kcf:
ATOM        12
            1   C1y C     0.5345    0.7276
            2   C1z C    -0.1793    1.1379
            3   O2x O     0.5345    1.5552
            4   C5x C     0.5379   -0.1034
            5   C1x C    -0.8966    0.7276
            6   C1a C    -0.1862    1.9690
            7   C2y C    -0.1793   -0.5207
            8   O5x O     1.2586   -0.5172
            9   C1x C    -0.8966   -0.1034
            10  C2c C    -0.1759   -1.3483
            11  C1a C    -0.8931   -1.7621
            12  C1a C     0.5414   -1.7621
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 2
            10   10  11 1
            11   10  12 1
            12    2   3 1
            13    7   9 1


entry: C09897
name: --- - Selagine
formula: C15H18N2O
kcf:
ATOM        18
            1   C1z C     8.1818   -9.6818
            2   C8y C     8.8526  -10.0685
            3   C2y C     8.1852   -8.9005
            4   C2x C     7.4971   -9.2874
            5   N1a N     7.5033  -10.0720
            6   C8y C     9.5345   -9.6845
            7   C8x C     8.8422  -10.8456
            8   C1y C     8.8595   -8.5138
            9   C2b C     7.4971   -8.5103
            10  C2y C     8.0638   -7.7242
            11  C1x C     9.5379   -8.9040
            12  N4x N    10.2018  -10.0892
            13  C8x C     9.5138  -11.2427
            14  C1x C     8.8568   -7.7242
            15  C1a C     6.8324   -8.9005
            16  C8y C    10.1915  -10.8663
            17  O5x O    10.8699  -11.2496
            18  C1a C     7.6070   -7.0736
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 2
            10    6  11 1
            11    6  12 1
            12    7  13 2
            13    8  14 1 #Up
            14    9  15 1
            15   12  16 1
            16   16  17 2
            17    8  11 1
            18   13  16 1
            19   14  10 1
            20   10  18 1


entry: C09898
name: --- - alpha-Terpinene
formula: C10H16
kcf:
ATOM        10
            1   C2y C     0.0000   -0.4172
            2   C1c C     0.0000   -1.2448
            3   C1x C    -0.7207    0.0000
            4   C2x C     0.7172    0.0000
            5   C1a C    -0.7172   -1.6586
            6   C1a C     0.7207   -1.6552
            7   C1x C    -0.7207    0.8310
            8   C2x C     0.7172    0.8310
            9   C2y C     0.0000    1.2414
            10  C1a C     0.0000    2.0724
BOND        10
            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     4   8 1
            8     7   9 1
            9     9  10 1
            10    8   9 2


entry: C09899
name: --- - Serratanidine
formula: C16H25NO4
kcf:
ATOM        21
            1   C1z C     5.0012  -11.9197
            2   C1z C     5.0012  -12.7473
            3   C1y C     5.7874  -11.6680
            4   C1y C     4.3908  -11.3645
            5   C1x C     4.2874  -11.5094
            6   N1y N     4.2908  -13.1645
            7   C5x C     5.7874  -12.9990
            8   C1x C     5.6184  -13.2956
            9   C1y C     5.9598  -10.8611
            10  C1x C     6.2701  -12.3370
            11  C1x C     4.5633  -10.5611
            12  O1a O     3.5564  -11.3611
            13  C1x C     3.5667  -11.9197
            14  C1x C     3.5667  -12.7508
            15  C1x C     4.4633  -13.9714
            16  O5x O     5.9977  -13.7990
            17  C1x C     5.2839  -14.0508
            18  C1z C     5.3460  -10.3094
            19  O1a O     6.7564  -10.6439
            20  C1a C     6.1460  -10.0921
            21  O1a O     4.7564   -9.7163
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1 #Down
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    4  12 1 #Up
            12    5  13 1
            13    6  14 1
            14    6  15 1
            15    7  16 2
            16    8  17 1
            17    9  18 1
            18    9  19 1 #Down
            19   18  20 1 #Down
            20   18  21 1 #Up
            21    7  10 1
            22   11  18 1
            23   13  14 1
            24   15  17 1


entry: C09900
name: --- - gamma-Terpinene
formula: C10H16
kcf:
ATOM        10
            1   C2y C     0.0000   -0.4172
            2   C1c C     0.0000   -1.2448
            3   C1x C     0.7172    0.0000
            4   C2x C    -0.7207    0.0000
            5   C1a C    -0.7172   -1.6586
            6   C1a C     0.7207   -1.6552
            7   C2x C     0.7172    0.8310
            8   C1x C    -0.7207    0.8310
            9   C2y C     0.0000    1.2414
            10  C1a C     0.0000    2.0724
BOND        10
            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     4   8 1
            8     7   9 2
            9     9  10 1
            10    8   9 1


entry: C09901
name: --- - Serratine
formula: C16H25NO3
kcf:
ATOM        20
            1   C1z C     5.2332  -12.7484
            2   C1z C     5.2332  -11.9208
            3   N1y N     4.5194  -13.1656
            4   C5x C     6.0159  -13.0001
            5   C1x C     5.8470  -13.2967
            6   C1y C     6.0159  -11.6691
            7   C1y C     4.6194  -11.3656
            8   C1x C     4.5159  -11.5105
            9   C1x C     4.6953  -13.9725
            10  C1x C     3.7953  -12.7518
            11  C1x C     6.5056  -12.3380
            12  O5x O     6.2297  -13.8001
            13  C1x C     5.5159  -14.0518
            14  C1x C     6.1884  -10.8622
            15  C1x C     4.7953  -10.5622
            16  O1a O     3.7884  -11.3622
            17  C1x C     3.7953  -11.9208
            18  C1z C     5.5815  -10.3105
            19  C1a C     6.3746  -10.0932
            20  O1a O     4.9884   -9.7174
BOND        23
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    4  12 2
            12    5  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17   14  18 1
            18   18  19 1 #Down
            19   18  20 1 #Up
            20    6  11 1
            21    9  13 1
            22   10  17 1
            23   15  18 1


entry: C09902
name: --- - (R)-(+)-alpha-Terpineol
formula: C10H18O
comment: (+)-form
kcf:
ATOM        11
            1   C1d C     0.0000   -1.0552
            2   C1y C     0.0000   -0.2241
            3   C1a C    -0.7172   -1.4724
            4   C1a C     0.7207   -1.4690
            5   O1a O    -0.0034   -1.8793
            6   C1x C    -0.7207    0.1862
            7   C1x C     0.7172    0.1862
            8   C1x C    -0.7207    1.0172
            9   C2x C     0.7172    1.0172
            10  C2y C     0.0000    1.4345
            11  C1a C     0.0000    2.2621
BOND        11
            1     2   1 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10   10  11 1
            11    9  10 2


entry: C09903
name: --- - Spirolucidine
formula: C30H49N3O2
kcf:
ATOM        35
            1   N1x N    12.5960   -7.3850
            2   C5x C    13.2849   -6.2072
            3   C1x C    14.6456   -6.1969
            4   C1y C    11.9105   -6.9927
            5   C1x C    12.5960   -5.8038
            6   O5x O    13.9669   -5.8003
            7   N1y N    16.0483   -7.0858
            8   C1b C    11.2242   -7.3850
            9   C1x C    11.9139   -6.2038
            10  C1a C    16.8406   -7.0858
            11  C1y C    11.2277   -8.1775
            12  C1y C    11.9139   -8.5706
            13  C1x C    10.5422   -8.5706
            14  C1y C    11.9105   -9.3664
            15  C1x C    12.6029   -8.1775
            16  C1y C    10.5422   -9.3664
            17  N1y N    12.5960   -9.7622
            18  C1x C    11.2277   -9.7587
            19  C1x C    13.2884   -8.5775
            20  C1a C     9.8533   -9.7553
            21  C1x C    13.2849   -9.3733
            22  C5a C    12.5891  -10.5477
            23  C1a C    13.2780  -10.9443
            24  O5a O    11.9070  -10.9477
            25  C1y C    13.9896   -6.5772
            26  C1z C    13.2780   -6.9927
            27  C1x C    13.2799   -7.8162
            28  C1x C    14.7031   -6.9894
            29  C1y C    14.7051   -7.8128
            30  C1y C    13.9956   -8.2206
            31  C1x C    13.9956   -9.0404
            32  C1y C    14.7050   -9.4525
            33  C1x C    15.4144   -9.0405
            34  C1y C    15.4145   -8.2207
            35  C1a C    14.7049  -10.2733
BOND        40
            1    11  13 1
            2    12  14 1
            3    12  15 1
            4    13  16 1
            5    14  17 1
            6    14  18 1
            7    15  19 1
            8    16  20 1 #Up
            9    17  21 1
            10   17  22 1
            11   22  23 1
            12   22  24 2
            13    5   9 1
            14   16  18 1
            15   19  21 1
            16   26   1 1 #Down
            17   26   2 1 #Up
            18   25   3 1 #Up
            19   25  26 1
            20   26  27 1
            21   27  30 1
            22   29  28 1
            23   28  25 1
            24    1   4 1
            25    2   5 1
            26    2   6 2
            27    3   7 1
            28    4   8 1
            29    4   9 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   34  29 1
            36   34   7 1 #Up
            37    7  10 1
            38    8  11 1
            39   11  12 1
            40   32  35 1 #Down


entry: C09904
name: --- - beta-Thujaplicin - Hinokitiol - 4-Isopropyltropolone
formula: C10H12O2
kcf:
ATOM        12
            1   C2y C    31.2170  -16.6548
            2   C2x C    30.3754  -15.5458
            3   C2y C    30.7104  -14.1898
            4   C5x C    31.9707  -13.6120
            5   C2x C    32.6220  -16.6800
            6   C2x C    33.2236  -14.2339
            7   C2x C    33.5099  -15.6019
            8   O5x O    31.9923  -12.2379
            9   C1c C    30.4979  -17.8501
            10  C1a C    31.1737  -19.0705
            11  C1a C    29.0744  -17.8244
            12  O1a O    29.6025  -13.2725
BOND        12
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     4   8 2
            9     1   9 1
            10    9  10 1
            11    9  11 1
            12    3  12 1


entry: C09905
name: --- - gamma-Thujaplicin
formula: C10H12O2
kcf:
ATOM        12
            1   C2y C     0.0000   -0.7103
            2   C2x C    -0.7483   -0.3483
            3   C2x C     0.7483   -0.3517
            4   C1c C     0.0000   -1.5379
            5   C2x C    -0.9310    0.4621
            6   C2x C     0.9310    0.4586
            7   C1a C    -0.7172   -1.9517
            8   C1a C     0.7207   -1.9517
            9   C5x C    -0.4138    1.1103
            10  C2y C     0.4103    1.1069
            11  O5x O    -0.7724    1.8552
            12  O1a O     0.7724    1.8517
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    9  11 2
            11   10  12 1
            12    9  10 1


entry: C09906
name: --- - Thujone
formula: C10H16O
kcf:
ATOM        11
            1   C1z C    -0.1172   -0.3310
            2   C1y C    -0.6207    0.3241
            3   C1x C    -0.9345   -0.4448
            4   C1x C     0.6621   -0.0621
            5   C1c C    -0.1241   -1.1586
            6   C1y C    -0.1448    1.0035
            7   C5x C     0.6448    0.7621
            8   C1a C    -0.8414   -1.5655
            9   C1a C     0.5862   -1.5759
            10  C1a C    -0.4138    1.7828
            11  O5x O     1.3035    1.2621
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     6  10 1 #Up
            10    7  11 2
            11    2   3 1
            12    6   7 1


entry: C09907
name: --- - Acanthicifoline
formula: C10H12N2O2
kcf:
ATOM        14
            1   C8y C     0.0517    0.2069
            2   C8y C     0.0483   -0.6207
            3   C8y C     0.7724    0.6207
            4   C1x C    -0.6655    0.6241
            5   C1y C    -0.6655   -1.0345
            6   C8x C     0.7655   -1.0379
            7   C8x C     1.4897    0.2000
            8   O2a O     0.7690    1.4483
            9   C5x C    -1.3828    0.2069
            10  N1x N    -1.3828   -0.6207
            11  C1a C    -0.6724   -1.8621
            12  N5x N     1.4862   -0.6276
            13  C1a C     1.4862    1.8655
            14  O5x O    -2.1000    0.6241
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Either
            11    6  12 2
            12    8  13 1
            13    9  14 2
            14    7  12 1
            15    9  10 1


entry: C09908
name: --- - Thymol
formula: C10H14O
kcf:
ATOM        11
            1   C8y C    24.3488  -18.9804
            2   C8y C    25.5597  -18.2760
            3   C8x C    23.1320  -18.2760
            4   C1c C    24.3546  -20.3777
            5   C8x C    25.5597  -16.8728
            6   O1a O    26.7649  -18.9747
            7   C8x C    23.1320  -16.8728
            8   C1a C    23.1378  -21.0763
            9   C1a C    25.5656  -21.0704
            10  C8y C    24.3488  -16.1801
            11  C1a C    24.3546  -14.7771
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10   10  11 1
            11    7  10 2


entry: C09909
name: --- - Thymyl acetate
formula: C12H16O2
kcf:
ATOM        14
            1   C8y C    -0.6103   -0.4172
            2   C8y C     0.1034    0.0000
            3   C8x C    -1.3310    0.0000
            4   C1c C    -0.6103   -1.2448
            5   C8x C     0.1034    0.8276
            6   O7a O     0.8138   -0.4138
            7   C8x C    -1.3310    0.8276
            8   C1a C    -1.3276   -1.6586
            9   C1a C     0.1069   -1.6586
            10  C8y C    -0.6103    1.2414
            11  C7a C     1.5310    0.0034
            12  C1a C    -0.6103    2.0690
            13  C1a C     2.2483   -0.4103
            14  O7a O     1.5276    0.8345
BOND        14
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14    7  10 2


entry: C09910
name: --- - Actinidine
formula: C10H13N
comment: (-)-form
kcf:
ATOM        11
            1   C8y C    -0.2793    0.3138
            2   C8y C     0.4276   -0.1069
            3   C8y C    -1.0000   -0.1034
            4   C1x C    -0.1034    1.1207
            5   C1y C     1.0448    0.4414
            6   C8x C     0.4310   -0.9310
            7   C8x C    -1.0000   -0.9310
            8   C1a C    -1.7207    0.3138
            9   C1x C     0.7172    1.2000
            10  C1a C     1.7621    0.0276
            11  N5x N    -0.2793   -1.3448
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1 #Down
            10    6  11 2
            11    5   9 1
            12    7  11 1


entry: C09911
name: --- - Umbellulone
formula: C10H14O
kcf:
ATOM        11
            1   C1z C    -0.1517   -0.1690
            2   C1y C    -0.6448    0.5000
            3   C1x C    -0.9759   -0.2655
            4   C5x C     0.6310    0.0828
            5   C1c C    -0.1586   -0.9931
            6   C2y C    -0.1517    1.1655
            7   C2x C     0.6345    0.9069
            8   O5x O     1.2966   -0.4034
            9   C1a C    -0.8759   -1.4034
            10  C1a C     0.5517   -1.4138
            11  C1a C    -0.1586    1.9931
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    2   3 1
            12    6   7 2


entry: C09912
name: --- - Arenaine
formula: C11H17N3O
kcf:
ATOM        15
            1   N1y N     0.0379    0.2310
            2   C1y C    -0.6759   -0.1897
            3   C1z C    -0.1379    1.0345
            4   C2y C     0.7586   -0.1862
            5   C1y C    -0.6793   -1.0172
            6   C1x C    -1.2931    0.3586
            7   C1x C    -0.9586    1.1138
            8   C2b C     0.2655    1.7552
            9   C1a C     0.6862    1.0379
            10  N1x N     0.7586   -1.0172
            11  N2a N     1.4793    0.2310
            12  C5x C     0.0379   -1.4276
            13  C1a C    -1.4000   -1.4241
            14  C2a C     1.0897    1.7552
            15  O5x O     0.0310   -2.2586
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Either
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    5  13 1 #Up
            13    8  14 2
            14   12  15 2
            15    6   7 1
            16   10  12 1


entry: C09913
name: --- - Verbenone
formula: C10H14O
kcf:
ATOM        11
            1   C1z C    -0.8034    0.7207
            2   C1y C    -0.6138    0.0207
            3   C1y C    -0.1103   -0.3310
            4   C1a C    -0.4483    1.3414
            5   C1a C    -1.5207    0.7207
            6   C2y C     0.6966    0.0034
            7   C1x C    -0.7448   -0.6276
            8   C5x C     0.6034   -0.6379
            9   C2x C     1.3552   -0.4379
            10  C1a C     1.0379    0.6310
            11  O5x O     0.5517   -1.4138
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     6   9 2
            9     6  10 1
            10    8  11 2
            11    3   7 1
            12    8   9 1


entry: C09914
name: --- - Bakankoside
formula: C16H23NO8
kcf:
ATOM        25
            1   C1y C    10.3875   -4.7750
            2   C1y C    11.1079   -5.1917
            3   O2x O    11.8240   -4.7750
            4   C2x C    11.8240   -3.9458
            5   C1y C    10.3875   -3.9458
            6   C2y C    11.1099   -3.5369
            7   C5x C    11.1148   -2.7062
            8   N1x N    10.3973   -2.2846
            9   C1x C     9.6750   -2.6977
            10  C1x C     9.6701   -3.5283
            11  O5x O    11.8359   -2.2938
            12  C2b C     9.6691   -5.1920
            13  C2a C     8.9502   -4.7757
            14  O2a O    11.1089   -6.0208
            15  C1y C    10.3908   -6.4342
            16  O2x O     9.6743   -6.0200
            17  C1y C     8.9562   -6.4334
            18  C1y C     8.9572   -7.2626
            19  C1y C     9.6764   -7.6783
            20  C1y C    10.3945   -7.2608
            21  C1b C     8.2370   -6.0218
            22  O1a O     9.6774   -8.5075
            23  O1a O    11.1143   -7.6754
            24  O1a O     8.2391   -7.6801
            25  O1a O     7.5231   -6.4352
BOND        27
            1     1   2 1
            2     1  12 1 #Down
            3     2   3 1
            4    12  13 2
            5     3   4 1
            6     2  14 1 #Up
            7     4   6 2
            8    15  14 1 #Up
            9     5   6 1
            10    6   7 1
            11    7   8 1
            12    8   9 1
            13    9  10 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  15 1
            20   10   5 1
            21   17  21 1 #Up
            22   19  22 1 #Up
            23    7  11 2
            24   20  23 1 #Down
            25    5   1 1
            26   18  24 1 #Down
            27   21  25 1


entry: C09915
name: --- - Boschniakine
formula: C10H11NO
kcf:
ATOM        12
            1   C8y C    13.6193   -7.4178
            2   C8y C    14.3420   -7.8218
            3   C8y C    12.9042   -7.8422
            4   C1x C    13.7780   -6.6062
            5   C1y C    14.9469   -7.2584
            6   C8x C    14.3496   -8.6502
            7   C8x C    12.9148   -8.6721
            8   C4a C    12.1815   -7.4382
            9   C1x C    14.6003   -6.5060
            10  C1a C    15.6665   -7.6607
            11  N5x N    13.6405   -9.0777
            12  O4a O    11.4767   -7.8874
BOND        13
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1 #Up
            10    6  11 2
            11    8  12 2
            12    5   9 1
            13    7  11 1


entry: C09916
name: --- - Acrovestone
formula: C32H42O8
kcf:
ATOM        40
            1   C2b C    11.3857   -3.6422
            2   C1c C    12.3641   -6.6460
            3   C1b C    12.3599   -7.4502
            4   C1c C    11.9572   -8.1488
            5   C1a C    12.3628   -8.8458
            6   C1a C    11.1530   -8.1505
            7   C8y C    13.3609   -6.0694
            8   C8y C    14.0573   -6.4749
            9   C8y C    13.3574   -5.2626
            10  C8y C    14.7579   -6.0659
            11  O1a O    14.0573   -7.2816
            12  C8y C    14.0539   -4.8613
            13  O1a O    12.6527   -4.8613
            14  C8y C    14.7544   -5.2592
            15  C1b C    15.4509   -6.4783
            16  C5a C    14.0539   -4.0546
            17  O1a O    15.4543   -4.8579
            18  C2b C    16.1480   -6.0728
            19  C1a C    14.7544   -3.6457
            20  O5a O    13.3540   -3.6457
            21  C2c C    16.8486   -6.4818
            22  C1a C    17.5457   -6.0763
            23  C1a C    16.8451   -7.2885
            24  C8y C    11.3633   -6.0694
            25  C8y C    11.3633   -5.2592
            26  C8y C    10.6668   -6.4783
            27  C8y C    10.6668   -4.8613
            28  C8y C     9.9697   -6.0694
            29  O1a O    10.6703   -7.2850
            30  C8y C     9.9697   -5.2592
            31  C1b C    10.6703   -4.0512
            32  C5a C     9.2656   -6.4783
            33  O2a O     9.2656   -4.8579
            34  O5a O     9.2656   -7.2850
            35  C1a C     8.5651   -6.0694
            36  C1a C     8.5651   -5.2592
            37  O1a O    12.0603   -4.8578
            38  C2c C    11.3912   -2.8214
            39  C1a C    12.1043   -2.4179
            40  C1a C    10.6837   -2.4082
BOND        41
            1    18  21 2
            2    21  22 1
            3    21  23 1
            4    12  14 2
            5     7   2 1
            6     4   5 1
            7     4   6 1
            8     3   4 1
            9     2   3 1
            10    7   8 1
            11    7   9 2
            12    8  10 2
            13    8  11 1
            14    9  12 1
            15    9  13 1
            16   10  14 1
            17   10  15 1
            18   24  25 1
            19   24  26 2
            20   25  27 2
            21   26  28 1
            22   26  29 1
            23   27  30 1
            24   27  31 1
            25   28  32 1
            26   30  33 1
            27   32  34 2
            28   32  35 1
            29   33  36 1
            30   28  30 2
            31   12  16 1
            32   25  37 1
            33   24   2 1
            34   14  17 1
            35   31   1 1
            36   15  18 1
            37    1  38 2
            38   16  19 1
            39   38  39 1
            40   16  20 2
            41   38  40 1


entry: C09917
name: --- - Arnebinol
formula: C16H20O2
kcf:
ATOM        18
            1   C8y C    12.8958   -9.3717
            2   C8x C    12.9033   -8.5383
            3   C8y C    12.1822   -9.7959
            4   C1x C    13.6193   -9.7907
            5   C8y C    12.1768   -8.1210
            6   C8x C    11.4616   -9.3817
            7   O1a O    12.1935  -10.6344
            8   C2x C    14.3444   -9.3797
            9   C8x C    11.4580   -8.5427
            10  O2x O    12.1826   -7.2847
            11  C2y C    14.3455   -8.5420
            12  C1x C    12.9090   -6.8689
            13  C1x C    15.0647   -8.1280
            14  C1a C    13.6297   -8.1226
            15  C2y C    13.6295   -7.2896
            16  C1x C    15.0693   -7.2964
            17  C2x C    14.3529   -6.8757
            18  C1a C    14.1306   -7.7603
BOND        19
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    8  11 2
            11   10  12 1
            12   11  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   15  17 2
            17   15  18 1
            18    6   9 2
            19   16  17 1


entry: C09918
name: --- - Aucuparin
formula: C14H14O3
kcf:
ATOM        17
            1   C8y C    16.3310  -15.0521
            2   C8y C    15.6138  -15.4651
            3   C8x C    16.3300  -14.2270
            4   C8x C    17.0481  -15.4688
            5   C8x C    14.8986  -15.0513
            6   C8x C    15.6137  -16.2948
            7   C8y C    17.0500  -13.8123
            8   C8y C    17.7670  -15.0587
            9   C8x C    14.1785  -15.4660
            10  C8x C    14.8936  -16.7096
            11  C8y C    17.7700  -14.2273
            12  O2a O    17.0532  -12.9808
            13  O2a O    18.4839  -15.4755
            14  C8x C    14.1796  -16.2911
            15  O1a O    18.4872  -13.8142
            16  C1a C    17.7734  -12.5659
            17  C1a C    19.2028  -15.0654
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     4   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 2
            11    7  12 1
            12    8  13 1
            13    9  14 2
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17    8  11 1
            18   10  14 1


entry: C09919
name: --- - Bergenin
formula: C14H16O9
comment: Bergenin: major constituent of Mallotus japonicus
kcf:
ATOM        23
            1   C8y C    21.2067  -18.0177
            2   C1y C    22.4184  -17.3247
            3   C8y C    21.2010  -19.4157
            4   C8y C    19.9952  -17.3187
            5   C1y C    23.6241  -18.0294
            6   O2x O    22.4300  -15.9267
            7   C7x C    22.4067  -20.1264
            8   C8x C    19.9952  -20.1206
            9   C8y C    18.7778  -18.0177
            10  O1a O    19.9952  -15.9208
            11  O7x O    23.6241  -19.4274
            12  C1y C    24.8415  -17.3480
            13  C1y C    23.6474  -15.2394
            14  O7x O    22.4008  -21.5301
            15  C8y C    18.7778  -19.4157
            16  O2a O    17.5664  -17.3187
            17  C1y C    24.8532  -15.9500
            18  O1a O    26.0530  -18.0527
            19  C1b C    23.6591  -13.8356
            20  O1a O    17.5664  -20.1206
            21  C1a C    16.3547  -18.0177
            22  O1a O    26.0763  -15.2568
            23  O1a O    24.8822  -13.1483
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 2
            15    9  16 1
            16   12  17 1
            17   12  18 1 #Down
            18   13  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   17  22 1 #Up
            22   19  23 1
            23    7  11 1
            24    9  15 1
            25   13  17 1


entry: C09920
name: --- - Brazilin
formula: C16H14O5
kcf:
ATOM        21
            1   C1y C     0.1172   -0.2552
            2   C8y C    -0.6724   -0.0103
            3   C1z C     0.1241   -1.0793
            4   C8y C     0.8276    0.1621
            5   C8y C    -1.1483   -0.6862
            6   C8x C    -1.0172    0.7448
            7   C1x C    -0.6552   -1.3483
            8   C1x C     0.8448   -1.4897
            9   O1a O     0.1207   -1.9069
            10  C8y C     1.5483   -0.2414
            11  C8x C     0.8207    0.9897
            12  C8x C    -1.9759   -0.6034
            13  C8y C    -1.8379    0.8241
            14  O2x O     1.5552   -1.0655
            15  C8x C     2.2586    0.1759
            16  C8x C     1.5345    1.4069
            17  C8y C    -2.3241    0.1483
            18  O1a O    -2.1862    1.5793
            19  C8y C     2.2517    1.0000
            20  O1a O    -3.1483    0.2310
            21  O1a O     2.9655    1.4241
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 2
            10    4  11 1
            11    5  12 1
            12    6  13 2
            13    8  14 1
            14   10  15 1
            15   11  16 2
            16   12  17 2
            17   13  18 1
            18   15  19 2
            19   17  20 1
            20   19  21 1
            21    5   7 1
            22   10  14 1
            23   13  17 1
            24   16  19 1


entry: C09921
name: --- - 3-Butylidene-7-hydroxyphthalide
formula: C12H12O3
kcf:
ATOM        15
            1   C8y C    -0.6138    0.3862
            2   C8y C    -0.6138   -0.4414
            3   C2y C     0.1759    0.6414
            4   C8x C    -1.3310    0.8000
            5   C7x C     0.1759   -0.6966
            6   C8y C    -1.3310   -0.8586
            7   O7x O     0.6655   -0.0276
            8   C2b C     0.8897    1.0621
            9   C8x C    -2.0483    0.3862
            10  O7x O     0.4345   -1.4862
            11  C8x C    -2.0483   -0.4414
            12  O1a O    -1.3310   -1.6897
            13  C1b C     1.6069    0.6483
            14  C1b C     2.3241    1.0655
            15  C1a C     3.0414    0.6517
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1
            12    8  13 1
            13   13  14 1
            14   14  15 1
            15    5   7 1
            16    9  11 2


entry: C09922
name: --- - Cleomiscosin A
formula: C20H18O8
kcf:
ATOM        28
            1   C8y C    16.7526  -13.7138
            2   C8y C    16.0388  -13.3000
            3   C8y C    17.4629  -13.3000
            4   O2x O    16.7560  -14.5414
            5   C8y C    16.0388  -12.4759
            6   O2x O    15.3181  -13.7138
            7   C8y C    17.4664  -12.4759
            8   O7x O    18.1733  -13.7103
            9   C1y C    16.0353  -14.9586
            10  C8x C    16.7560  -12.0586
            11  O2a O    15.3216  -12.0552
            12  C1y C    15.3181  -14.5414
            13  C8x C    18.1802  -12.0655
            14  C8y C    18.8871  -13.3034
            15  C1b C    16.0319  -15.7862
            16  C1a C    14.6009  -12.4724
            17  C8y C    14.6009  -14.9586
            18  C8x C    18.8905  -12.4828
            19  O7x O    19.6043  -13.7207
            20  O1a O    16.7457  -16.2034
            21  C8x C    13.8836  -14.5414
            22  C8x C    14.6009  -15.7862
            23  C8y C    13.1629  -14.9586
            24  C8x C    13.8836  -16.2000
            25  C8y C    13.1629  -15.7862
            26  O2a O    12.4457  -14.5414
            27  O1a O    12.4457  -16.2000
            28  C1a C    11.7319  -14.9552
BOND        31
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1 #Down
            15   11  16 1
            16   12  17 1
            17   13  18 2
            18   14  19 2
            19   15  20 1
            20   17  21 2
            21   17  22 1
            22   21  23 1
            23   22  24 2
            24   23  25 2
            25   23  26 1
            26   25  27 1
            27   26  28 1
            28    7  10 1
            29    9  12 1
            30   14  18 1
            31   24  25 1


entry: C09923
name: --- - Cyperine
formula: C15H16O4
kcf:
ATOM        19
            1   C8y C    16.6658  -14.5211
            2   C8y C    16.6624  -15.3487
            3   C8y C    17.3865  -14.1108
            4   O2a O    15.9555  -14.1108
            5   C8x C    17.3796  -15.7694
            6   C1a C    15.9451  -15.7625
            7   C8x C    18.1038  -14.5280
            8   O1a O    17.3900  -13.2832
            9   C8y C    15.2417  -14.5246
            10  C8y C    18.1003  -15.3556
            11  C8x C    14.5245  -14.1108
            12  C8x C    15.2417  -15.3556
            13  O2a O    18.8176  -15.7763
            14  C8y C    13.8038  -14.5246
            15  C8y C    14.5245  -15.7694
            16  C1a C    19.5383  -15.3625
            17  C8x C    13.8038  -15.3556
            18  C1a C    13.0865  -14.1108
            19  O1a O    14.5245  -16.6004
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    9  11 2
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 2
            15   13  16 1
            16   14  17 2
            17   14  18 1
            18   15  19 1
            19    7  10 1
            20   15  17 1


entry: C09924
name: --- - Daphneticin
formula: C20H18O8
kcf:
ATOM        28
            1   C8y C     1.0793    0.7414
            2   C8y C     1.7897    1.1586
            3   C8y C     0.3621    1.1552
            4   O2x O     1.0828   -0.0897
            5   C8y C     1.7931    1.9793
            6   O7x O     2.5000    0.7414
            7   O2x O    -0.3552    0.7414
            8   C8x C     0.3655    1.9828
            9   C1y C     0.3621   -0.5034
            10  C8x C     1.0828    2.3931
            11  C8x C     2.5069    2.3862
            12  C8y C     3.2138    1.1517
            13  C1y C    -0.3552   -0.0862
            14  C1b C     0.3552   -1.3276
            15  C8x C     3.2172    1.9759
            16  O7x O     3.9310    0.7345
            17  C8y C    -1.0724   -0.5000
            18  O1a O     1.0724   -1.7517
            19  C8x C    -1.0724   -1.3276
            20  C8x C    -1.7897   -0.0862
            21  C8y C    -1.7897   -1.7448
            22  C8y C    -2.5103   -0.5000
            23  C8y C    -2.5103   -1.3276
            24  O2a O    -1.7897   -2.5759
            25  O2a O    -3.2276   -0.0862
            26  O1a O    -3.2276   -1.7448
            27  C1a C    -1.0690   -2.9862
            28  C1a C    -3.9448   -0.5000
BOND        31
            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    9  14 1 #Down
            14   11  15 2
            15   12  16 2
            16   13  17 1
            17   14  18 1
            18   17  19 1
            19   17  20 2
            20   19  21 2
            21   20  22 1
            22   21  23 1
            23   21  24 1
            24   22  25 1
            25   23  26 1
            26   24  27 1
            27   25  28 1
            28    8  10 2
            29    9  13 1
            30   12  15 1
            31   22  23 2


entry: C09925
name: --- - 5,6-Dehydrokawain
formula: C14H12O3
kcf:
ATOM        17
            1   C8y C    17.0185  -14.5866
            2   C8x C    17.0185  -15.4142
            3   O7x O    17.7358  -14.1728
            4   C2b C    16.3013  -14.1763
            5   C8y C    17.7358  -15.8280
            6   C8y C    18.4530  -14.5832
            7   C2b C    15.5841  -14.5901
            8   C8x C    18.4530  -15.4108
            9   O2a O    17.7358  -16.6591
            10  O7x O    19.1668  -14.1694
            11  C8y C    14.8703  -14.1832
            12  C1a C    18.4565  -17.0694
            13  C8x C    14.8703  -13.3522
            14  C8x C    14.1565  -14.5935
            15  C8x C    14.1565  -12.9349
            16  C8x C    13.4392  -14.1832
            17  C8x C    13.4392  -13.3522
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   11  14 2
            14   13  15 2
            15   14  16 1
            16   15  17 1
            17    6   8 1
            18   16  17 2


entry: C09926
name: --- - Dihydromethysticin
formula: C15H16O5
kcf:
ATOM        20
            1   C8y C    13.4352  -13.7927
            2   C8y C    13.4387  -12.9616
            3   C8x C    14.1594  -14.2030
            4   O2x O    12.6456  -14.0444
            5   C8x C    14.1594  -12.5444
            6   O2x O    12.6490  -12.7065
            7   C8y C    14.8766  -13.7927
            8   C1x C    12.1628  -13.3720
            9   C8x C    14.8766  -12.9616
            10  C1b C    15.5870  -14.1996
            11  C1b C    16.3042  -13.7858
            12  C1y C    17.0214  -14.1961
            13  C1x C    17.0214  -15.0237
            14  O7x O    17.7352  -13.7823
            15  C2y C    17.7352  -15.4375
            16  C7x C    18.4525  -14.1927
            17  C2x C    18.4525  -15.0203
            18  O2a O    17.7387  -16.2685
            19  O7x O    19.1697  -13.7823
            20  C1a C    18.4559  -16.6789
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     4   8 1
            8     5   9 2
            9     7  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   15  18 1
            18   16  19 2
            19   18  20 1
            20    6   8 1
            21    7   9 1
            22   16  17 1


entry: C09927
name: --- - Euglobal-Ia1
formula: C23H30O5
kcf:
ATOM        28
            1   C8y C    15.9954  -21.9060
            2   C8y C    15.9885  -21.0819
            3   C1y C    16.7092  -22.3095
            4   C8y C    15.2816  -22.3267
            5   O2x O    16.7023  -20.6612
            6   C8y C    15.2678  -20.6681
            7   C1y C    17.4195  -21.8957
            8   C1b C    16.7023  -23.1371
            9   C8y C    14.5609  -21.9233
            10  O1a O    15.2919  -23.1543
            11  C1z C    17.4195  -21.0750
            12  C8y C    14.5505  -21.0922
            13  C4a C    15.2609  -19.8405
            14  C1x C    18.1299  -22.3060
            15  C4a C    13.8471  -22.3440
            16  C2x C    18.1264  -20.6612
            17  C1a C    17.4126  -20.2405
            18  O1a O    13.8299  -20.6819
            19  O4a O    14.5367  -19.4336
            20  C1y C    18.8402  -21.8957
            21  O4a O    13.8540  -23.1716
            22  C2x C    18.8402  -21.0716
            23  C1c C    19.5609  -22.3095
            24  C1a C    19.5609  -23.1371
            25  C1a C    20.2781  -21.8957
            26  C1c C    17.4133  -23.5555
            27  C1a C    17.4065  -24.3805
            28  C1a C    18.1312  -23.1490
BOND        30
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 1 #Up
            6     4   9 2
            7     4  10 1
            8     5  11 1
            9     6  12 2
            10    6  13 1
            11    7  14 1
            12    9  15 1
            13   11  16 1
            14   11  17 1 #Up
            15   12  18 1
            16   13  19 2
            17   14  20 1
            18   15  21 2
            19   16  22 2
            20   20  23 1
            21   23  24 1
            22   23  25 1
            23    7  11 1
            24    9  12 1
            25   20  22 1
            26    8  26 1
            27    1   2 2
            28   26  27 1
            29    1   3 1
            30   26  28 1


entry: C09928
name: --- - Flossonol
formula: C13H16O3
kcf:
ATOM        16
            1   C8y C     0.2207   -0.3862
            2   C8y C     0.2241    0.4448
            3   C8x C    -0.4897   -0.8034
            4   C5x C     0.9379   -0.8034
            5   C8x C    -0.4897    0.8552
            6   C1y C     0.9448    0.8517
            7   C8y C    -1.2103   -0.3862
            8   C1y C     1.6586   -0.3931
            9   O5x O     0.9345   -1.6345
            10  C8y C    -1.2103    0.4448
            11  C1x C     1.6621    0.4379
            12  O1a O     0.9483    1.6828
            13  C1a C    -1.9276   -0.8034
            14  C1a C     2.3724   -0.8103
            15  O2a O    -1.9276    0.8552
            16  C1a C    -2.6448    0.4448
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     4   9 2
            9     5  10 2
            10    6  11 1
            11    6  12 1 #Up
            12    7  13 1
            13    8  14 1 #Up
            14   10  15 1
            15   15  16 1
            16    7  10 1
            17    8  11 1


entry: C09929
name: --- - Garcinol
formula: C38H50O6
kcf:
ATOM        44
            1   C2b C    13.9754  -16.8302
            2   C1b C    14.6857  -16.4219
            3   C1c C    15.3960  -16.8302
            4   C2c C    13.2651  -16.4219
            5   C1a C    12.5548  -16.8302
            6   C1a C    13.2651  -15.6010
            7   C1a C    14.6936  -18.1393
            8   C2c C    15.4039  -17.7268
            9   C2a C    16.1184  -18.1393
            10  C1b C    18.1147  -15.1921
            11  C2b C    18.1112  -16.0018
            12  C2c C    18.8105  -16.4052
            13  C1a C    18.8070  -17.2148
            14  C1a C    19.5064  -15.9983
            15  C1b C    16.7793  -12.6852
            16  C2b C    17.4855  -12.2720
            17  C2c C    17.4855  -11.4521
            18  C1a C    18.1986  -11.0418
            19  C1a C    16.7724  -11.0383
            20  C1z C    16.7849  -13.5020
            21  C8y C    13.9823  -14.0745
            22  C5a C    14.6926  -13.6620
            23  C2y C    15.4029  -14.0745
            24  O5a O    14.6926  -12.8411
            25  C8x C    13.2720  -13.6620
            26  C8y C    12.5617  -14.0745
            27  C8y C    12.5617  -14.8953
            28  C8x C    13.2720  -15.3036
            29  C8x C    13.9823  -14.8953
            30  O1a O    11.8514  -13.6620
            31  O1a O    11.8514  -15.3036
            32  C1z C    17.3567  -14.0745
            33  C5x C    16.7815  -14.6392
            34  C1y C    17.3567  -14.8806
            35  C1z C    15.9788  -15.4523
            36  O5x O    16.0995  -14.3461
            37  C1x C    16.7849  -15.4523
            38  C2y C    15.4029  -14.8806
            39  C1b C    15.9753  -16.2585
            40  C5x C    15.9757  -13.5036
            41  O5x O    15.6599  -12.7457
            42  O1a O    14.7407  -15.3171
            43  C1a C    17.8934  -13.4951
            44  C1a C    18.1013  -14.0781
BOND        46
            1    12  13 1
            2    12  14 1
            3     7   8 1
            4     8   9 2
            5    21  25 2
            6    25  26 1
            7    26  27 2
            8    27  28 1
            9    28  29 2
            10   29  21 1
            11    4   5 1
            12   26  30 1
            13    2   3 1
            14   27  31 1
            15   20  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   17  19 1
            20    4   6 1
            21    1   2 1
            22    1   4 2
            23   20  32 1
            24   20  33 1 #Up
            25   20  40 1
            26   32  34 1
            27   35  33 1 #Up
            28   33  36 2
            29   34  37 1
            30   35  38 1
            31   35  39 1
            32   39   3 1
            33   35  37 1
            34   23  38 2
            35   21  22 1
            36   23  40 1
            37   10  11 1
            38   40  41 2
            39   22  23 1
            40   38  42 1
            41   11  12 2
            42   32  43 1
            43   22  24 2
            44   32  44 1
            45   34  10 1 #Down
            46    3   8 1 #Up


entry: C09930
name: --- - Goniothalenol
formula: C13H12O4
kcf:
ATOM        17
            1   C1y C     9.8262   -5.6418
            2   C1y C    10.3124   -6.3142
            3   O2x O    10.3193   -4.9763
            4   C1y C    11.0986   -6.0591
            5   O1a O    10.0503   -7.1004
            6   C1y C    11.1020   -5.2315
            7   O7x O    11.8193   -6.4763
            8   C2x C    11.8193   -4.8177
            9   C7x C    12.5365   -6.0591
            10  C2x C    12.5365   -5.2315
            11  O7x O    13.2503   -6.4763
            12  C8y C     9.0012   -5.6370
            13  C8x C     8.5960   -4.9230
            14  C8x C     7.7710   -4.9182
            15  C8x C     7.3543   -5.6303
            16  C8x C     7.7627   -6.3471
            17  C8x C     8.5877   -6.3519
BOND        19
            1     6   8 1
            2     7   9 1
            3     8  10 2
            4     9  11 2
            5     4   6 1
            6     9  10 1
            7     1  12 1
            8     1   2 1
            9     1   3 1
            10    2   4 1
            11    2   5 1 #Down
            12    3   6 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  12 1
            19    4   7 1


entry: C09931
name: --- - Haematoxylin
formula: C16H14O6
kcf:
ATOM        22
            1   C1y C    -0.0276   -0.2448
            2   C8y C    -0.8138    0.0069
            3   C8y C     0.6931    0.1724
            4   C1z C    -0.0276   -1.0690
            5   C8y C    -1.2966   -0.6586
            6   C8x C    -1.1448    0.7621
            7   C8y C     1.4069   -0.2448
            8   C8x C     0.6966    1.0000
            9   C1x C    -0.8138   -1.3241
            10  C1x C     0.6931   -1.4862
            11  O1a O    -0.0310   -1.9000
            12  C8x C    -2.1138   -0.5690
            13  C8y C    -1.9655    0.8483
            14  O2x O     1.4069   -1.0690
            15  C8y C     2.1241    0.1655
            16  C8x C     1.4172    1.4103
            17  C8y C    -2.4517    0.1828
            18  O1a O    -2.3034    1.6069
            19  C8y C     2.1310    0.9897
            20  O1a O     2.8414   -0.2517
            21  O1a O    -3.2759    0.2724
            22  O1a O     2.8517    1.4034
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    4  11 1 #Up
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    7  15 1
            15    8  16 2
            16   12  17 2
            17   13  18 1
            18   15  19 2
            19   15  20 1
            20   17  21 1
            21   19  22 1
            22    5   9 1
            23   10  14 1
            24   13  17 1
            25   16  19 1


entry: C09932
name: --- - Haemocorin
formula: C32H34O14
kcf:
ATOM        46
            1   C8y C     8.7971  -10.0188
            2   C8y C     8.0786  -10.4226
            3   C8y C     8.8118   -9.1915
            4   C8y C     9.5097  -10.4370
            5   C8y C     8.0762  -11.2506
            6   C5x C     7.3702   -9.9980
            7   C2x C     8.1021   -8.7716
            8   C8x C     9.5332   -8.7860
            9   C8y C    10.2312  -10.0314
            10  C8x C     9.5045  -11.2668
            11  C8y C     7.3518  -11.6579
            12  C8x C     8.7847  -11.6753
            13  C2y C     7.3820   -9.1724
            14  O5x O     6.6470  -10.4005
            15  C8y C    10.2399   -9.2077
            16  O1a O    10.9413  -10.4590
            17  C8x C     7.3435  -12.4894
            18  C8x C     6.6392  -11.2397
            19  O2a O     6.6736   -8.7516
            20  O2a O    10.9631   -8.8051
            21  C8x C     6.6238  -12.8979
            22  C8x C     5.9147  -11.6470
            23  C1y C     5.9609   -8.3354
            24  C1a C    11.6775   -9.2263
            25  C8x C     5.9077  -12.4737
            26  O2x O     5.9685   -7.5057
            27  C1y C     5.2430   -8.7471
            28  C1y C     5.2553   -7.0859
            29  C1y C     4.5267   -8.3256
            30  O1a O     5.2324   -9.5751
            31  C1y C     4.5314   -7.4941
            32  C1b C     5.2565   -6.2604
            33  O1a O     3.8029   -8.7338
            34  O2a O     3.8165   -7.0773
            35  C1y C     3.0958   -6.6717
            36  O2x O     3.0908   -5.8484
            37  C1y C     2.3818   -7.0840
            38  C1y C     2.3751   -5.4355
            39  C1y C     1.6629   -6.6769
            40  O1a O     2.3854   -7.9162
            41  C1y C     1.6628   -5.8507
            42  C1b C     2.3713   -4.6074
            43  O1a O     0.9451   -7.0954
            44  O1a O     0.9446   -5.4352
            45  O1a O     1.6538   -4.1915
            46  O1a O     4.5426   -5.8468
BOND        51
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    8  15 1
            15    9  16 1
            16   11  17 1
            17   11  18 2
            18   13  19 1
            19   15  20 1
            20   17  21 2
            21   18  22 1
            22   23  19 1 #Up
            23   20  24 1
            24   21  25 1
            25   23  26 1
            26   23  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 1 #Down
            30   28  31 1
            31   28  32 1 #Up
            32   29  33 1 #Up
            33   31  34 1 #Down
            34   35  34 1 #Up
            35   35  36 1
            36   35  37 1
            37   36  38 1
            38   37  39 1
            39   37  40 1 #Down
            40   38  41 1
            41   38  42 1 #Up
            42   39  43 1 #Up
            43   41  44 1 #Down
            44   42  45 1
            45    7  13 2
            46    9  15 2
            47   10  12 2
            48   22  25 2
            49   29  31 1
            50   39  41 1
            51   32  46 1


entry: C09933
name: --- - Cantleyine
formula: C11H13NO3
kcf:
ATOM        15
            1   C8y C     5.7874   -7.2734
            2   C8y C     6.5029   -7.6894
            3   C8y C     5.0670   -7.6843
            4   C1x C     5.9580   -6.4647
            5   C1y C     7.1161   -7.1348
            6   C8x C     6.4997   -8.5132
            7   C8x C     5.0680   -8.5146
            8   C7a C     4.3515   -7.2683
            9   C1y C     6.7837   -6.3768
            10  C1a C     7.8286   -7.5492
            11  N5x N     5.7852   -8.9275
            12  O7a O     4.3547   -6.4444
            13  O7a O     3.6251   -7.6756
            14  O1a O     7.1908   -5.6560
            15  C1a C     5.0733   -6.0367
BOND        16
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1 #Down
            10    6  11 2
            11    8  12 1
            12    8  13 2
            13    9  14 1 #Down
            14   12  15 1
            15    5   9 1
            16    7  11 1


entry: C09934
name: --- - Cassinine
formula: C44H51NO17
kcf:
ATOM        62
            1   C1z C     3.2335  -11.6332
            2   C1z C     3.2370  -10.8305
            3   C1y C     3.9259  -12.0324
            4   O2x O     3.2703  -12.3939
            5   C1y C     2.5487  -12.0290
            6   C1y C     3.9328  -10.4346
            7   C1y C     2.5487  -10.4311
            8   C1b C     3.0793  -10.0561
            9   C1y C     4.6176  -11.6366
            10  O7a O     4.3630  -13.8156
            11  C1z C     4.6086  -12.4042
            12  C1y C     1.8570  -11.6332
            13  C1a C     2.5418  -12.8241
            14  C1y C     4.6210  -10.8374
            15  O7a O     3.9259   -9.6395
            16  C1y C     1.8570  -10.8305
            17  O7a O     2.5418   -9.6361
            18  O7a O     3.4126   -9.3436
            19  C7a C     5.1547  -13.8156
            20  C1x C     4.9177  -12.9639
            21  C1a C     5.4038  -12.4042
            22  O7x O     1.1681  -12.0221
            23  O7a O     5.2988  -10.4311
            24  C7a C     4.6072   -9.2367
            25  O7a O     1.1715  -10.4311
            26  C7a C     1.8536   -9.2367
            27  C7a C     3.2168   -8.5770
            28  C8y C     5.5540  -14.5081
            29  O7a O     5.5505  -13.1240
            30  O7x O     3.5335  -13.6158
            31  C7x C     0.3695  -12.0186
            32  C7a C     5.9947  -10.8236
            33  C1a C     5.2954   -9.6292
            34  O7a O     4.6038   -8.4417
            35  C7a C     0.4833  -10.8270
            36  C1a C     1.1681   -9.6361
            37  O7a O     1.8501   -8.4417
            38  C1a C     3.6217   -7.8978
            39  O7a O     2.4376   -8.4103
            40  C8x C     5.1513  -15.1893
            41  C8x C     6.3491  -14.5115
            42  C7x C     2.7418  -13.6158
            43  C1x C     0.3661  -12.8138
            44  O7x O    -0.4290  -12.0186
            45  O7a O     6.6794  -10.4208
            46  C1a C     5.9913  -11.6228
            47  C1a C    -0.2049  -10.4277
            48  O7a O     0.4799  -11.5430
            49  C8x C     5.5471  -15.8810
            50  C8x C     6.7484  -15.1997
            51  C8y C     2.3460  -14.2971
            52  O7x O     2.1319  -13.0858
            53  C1x C     1.1612  -12.8138
            54  C8x C     6.3422  -15.8879
            55  C8y C     1.5543  -14.2971
            56  C8x C     2.7453  -14.9853
            57  C1y C     1.1620  -13.6158
            58  N5x N     1.1620  -14.9853
            59  C8x C     2.3460  -15.6742
            60  C1b C     0.3661  -13.6158
            61  C8x C     1.5543  -15.6742
            62  C1a C    -0.0332  -14.2971
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1 #Up
            10   11   4 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16    7  17 1 #Down
            17    8  18 1
            18   10  19 1
            19   11  20 1 #Down
            20   11  21 1 #Up
            21   12  22 1 #Up
            22   14  23 1 #Down
            23   15  24 1
            24   16  25 1 #Down
            25   17  26 1
            26   18  27 1
            27   19  28 1
            28   19  29 2
            29   20  30 1
            30   22  31 1
            31   23  32 1
            32   24  33 1
            33   24  34 2
            34   25  35 1
            35   26  36 1
            36   26  37 2
            37   27  38 1
            38   27  39 2
            39   28  40 1
            40   28  41 2
            41   30  42 1
            42   31  43 1
            43   31  44 2
            44   32  45 2
            45   32  46 1
            46   35  47 1
            47   35  48 2
            48   40  49 2
            49   41  50 1
            50   42  51 1
            51   42  52 2
            52   43  53 1
            53   49  54 1
            54   51  55 2
            55   51  56 1
            56   53  57 1
            57   55  58 1
            58   56  59 2
            59   57  60 1 #Down
            60   58  61 2
            61   60  62 1
            62    9  11 1 #Up
            63    9  14 1
            64   12  16 1
            65   50  54 2
            66   55  57 1
            67   59  61 1


entry: C09935
name: --- - Catheduline E2
formula: C38H40N2O11
kcf:
ATOM        51
            1   C1z C     9.0335  -10.1540
            2   C1z C     9.0370   -9.3305
            3   C1x C     9.7426  -10.5658
            4   O2x O     9.0703  -10.9397
            5   C1y C     8.3237  -10.5624
            6   C1y C     9.7495   -8.9221
            7   C1y C     8.3237   -8.9186
            8   C1b C     8.8710   -8.5311
            9   C1y C    10.4592  -10.1574
            10  C1z C    10.4503  -10.9500
            11  C1x C     7.6112  -10.1540
            12  C1a C     8.3168  -11.3824
            13  C1y C    10.4626   -9.3374
            14  O7a O     9.7426   -8.1020
            15  C1y C     7.6112   -9.3305
            16  O7a O     8.3168   -8.0986
            17  O7a O     9.2168   -7.7978
            18  C1a C    10.0469  -11.6556
            19  C1a C    10.7704  -11.7000
            20  O7a O    11.1613   -8.9186
            21  C7a C    10.4488   -7.6867
            22  O7a O     6.9048   -8.9186
            23  C7a C     7.6078   -7.6867
            24  C7a C     9.0126   -7.0061
            25  C7a C    11.8738   -9.3236
            26  O7a O    10.4413   -6.8667
            27  C7a C     6.1958   -9.3270
            28  C1a C     6.9014   -8.0986
            29  O7a O     7.6043   -6.8667
            30  C8y C     9.4301   -6.3020
            31  O7a O     8.2126   -6.8353
            32  O7a O    12.5836   -8.9083
            33  C8y C    11.8704  -10.1436
            34  C1a C     5.4826   -8.9152
            35  O7a O     6.1924  -10.0638
            36  C8x C    10.2446   -6.3134
            37  N5x N    10.6620   -5.6134
            38  C8x C    10.2628   -4.9029
            39  C8x C     9.4462   -4.8924
            40  C8x C     9.0288   -5.5924
            41  C8y C    11.2875   -7.6833
            42  C8x C    11.7098   -8.4102
            43  C8x C    12.5484   -8.4068
            44  C8x C    12.9648   -7.6765
            45  C8x C    12.5426   -6.9497
            46  C8x C    11.7039   -6.9573
            47  C8x C    11.1603  -10.5462
            48  C8x C    11.1569  -11.3662
            49  C8x C    11.8635  -11.7792
            50  N5x N    12.5776  -11.3721
            51  C8x C    12.5810  -10.5521
BOND        56
            1     8  17 1
            2    10  18 1
            3    10  19 1
            4    13  20 1 #Down
            5    14  21 1
            6    15  22 1 #Down
            7    16  23 1
            8    17  24 1
            9    20  25 1
            10   21  26 2
            11   22  27 1
            12   23  28 1
            13   23  29 2
            14   24  30 1
            15   24  31 2
            16   25  32 2
            17   25  33 1
            18   27  34 1
            19   27  35 2
            20    9  10 1 #Up
            21    9  13 1
            22   11  15 1
            23    1   2 1
            24    1   3 1
            25    1   4 1 #Up
            26    1   5 1
            27   30  36 2
            28   36  37 1
            29   37  38 2
            30   38  39 1
            31   39  40 2
            32   40  30 1
            33    2   6 1
            34   21  41 1
            35    2   7 1
            36    2   8 1 #Down
            37    3   9 1
            38   10   4 1
            39    5  11 1
            40   41  42 2
            41   42  43 1
            42   43  44 2
            43   44  45 1
            44   45  46 2
            45   46  41 1
            46    5  12 1 #Down
            47    6  13 1
            48    6  14 1 #Up
            49    7  15 1
            50    7  16 1 #Down
            51   33  47 2
            52   47  48 1
            53   48  49 2
            54   49  50 1
            55   50  51 2
            56   51  33 1


entry: C09936
name: --- - Heritonin
formula: C16H18O3
kcf:
ATOM        19
            1   C2y C     0.6655    0.4862
            2   C8y C    -0.0345    0.0483
            3   C1y C     1.3897    0.0931
            4   C2y C     0.8103    1.3000
            5   C8y C    -0.0034   -0.7759
            6   C8x C    -0.7690    0.4379
            7   C1x C     1.4172   -0.7241
            8   O7x O     1.9897    0.6690
            9   C7x C     1.6310    1.4138
            10  C1a C     0.2379    1.8966
            11  C8x C    -0.7069   -1.2172
            12  C1y C     0.7241   -1.1586
            13  C8y C    -1.4724   -0.0034
            14  O7x O     2.0207    2.1448
            15  C8y C    -1.4379   -0.8345
            16  C1a C     0.7517   -1.9897
            17  C1a C    -2.2034    0.3828
            18  O2a O    -2.1414   -1.2759
            19  C1a C    -2.8759   -0.8931
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    9  14 2
            14   11  15 2
            15   12  16 1 #Up
            16   13  17 1
            17   15  18 1
            18   18  19 1
            19    7  12 1
            20    8   9 1
            21   13  15 1


entry: C09937
name: --- - Celapanine
formula: C30H35NO10
kcf:
ATOM        41
            1   C1z C     5.2551  -13.0380
            2   C1z C     5.2585  -12.2484
            3   C1y C     5.9336  -13.4339
            4   O2x O     5.2467  -13.7926
            5   C1y C     4.5764  -13.4305
            6   C1y C     5.9405  -11.8560
            7   C1y C     4.5764  -11.8526
            8   C1a C     5.2516  -11.4560
            9   C1y C     6.6156  -13.0449
            10  O7a O     6.0164  -15.3305
            11  C1z C     6.6137  -13.8029
            12  C1x C     3.8944  -13.0380
            13  C1a C     4.5695  -14.2194
            14  C1y C     6.6191  -12.2553
            15  O7a O     5.9316  -10.9105
            16  C1x C     3.8944  -12.2484
            17  O7a O     4.5695  -11.0637
            18  C7a C     6.8053  -15.3305
            19  C1a C     7.4060  -13.8029
            20  C1a C     7.2957  -14.1987
            21  O7a O     7.3012  -11.8526
            22  C7a C     6.6137  -10.5284
            23  C7a C     3.8875  -10.6671
            24  C8y C     7.1949  -16.0056
            25  O7a O     7.1805  -14.6819
            26  C7a C     7.9839  -12.2484
            27  C8y C     7.4023  -10.5173
            28  O7a O     6.6102   -9.7395
            29  C1a C     3.2047  -11.0637
            30  O7a O     3.8840   -9.8816
            31  C8x C     7.9805  -15.9677
            32  C8x C     6.9915  -16.7635
            33  O7a O     8.6625  -11.8526
            34  C1a C     7.9805  -13.0380
            35  C8x C     7.8090  -11.1941
            36  C8x C     7.7899   -9.8244
            37  C8x C     8.2522  -16.7014
            38  O2x O     7.6426  -17.1945
            39  N5x N     8.5961  -11.1839
            40  C8x C     8.5799   -9.8126
            41  C8x C     8.9824  -10.4935
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1 #Down
            17   10  18 1
            18   11  19 1
            19   11  20 1
            20   14  21 1 #Down
            21   15  22 1
            22   17  23 1
            23   18  24 1
            24   18  25 2
            25   21  26 1
            26   22  27 1
            27   22  28 2
            28   23  29 1
            29   23  30 2
            30   24  31 1
            31   24  32 2
            32   26  33 2
            33   26  34 1
            34   27  35 1
            35   27  36 2
            36   31  37 2
            37   32  38 1
            38   35  39 2
            39   36  40 1
            40   39  41 1
            41    9  11 1 #Up
            42    9  14 1
            43   12  16 1
            44   37  38 1
            45   40  41 2


entry: C09938
name: --- - (+)-8-Hydroxycalamenene
formula: C15H22O
kcf:
ATOM        16
            1   C8y C    -0.0034   -0.2034
            2   C8y C     0.0000    0.6241
            3   C1y C     0.7138   -0.6241
            4   C8x C    -0.7103   -0.6207
            5   C8y C    -0.7103    1.0379
            6   C1y C     0.7207    1.0345
            7   C1x C     1.4345   -0.2103
            8   C1c C     0.7103   -1.4517
            9   C8y C    -1.4310   -0.2034
            10  C8x C    -1.4310    0.6241
            11  O1a O    -0.7103    1.8655
            12  C1x C     1.4379    0.6172
            13  C1a C     0.7241    1.8621
            14  C1a C    -0.0103   -1.8621
            15  C1a C     1.4276   -1.8690
            16  C1a C    -2.1517   -0.6207
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 1 #Up
            13    8  14 1
            14    8  15 1
            15    9  16 1
            16    7  12 1
            17    9  10 1


entry: C09939
name: --- - Strobopinin
formula: C16H14O4
kcf:
ATOM        20
            1   C8y C     4.5892  -11.8689
            2   C8y C     4.5858  -12.6964
            3   O2x O     5.3099  -11.4551
            4   C8x C     3.8720  -11.4516
            5   C5x C     5.3030  -13.1137
            6   C8y C     3.8720  -13.1102
            7   C1y C     6.0272  -11.8758
            8   C8y C     3.1582  -11.8689
            9   C1x C     6.0237  -12.7033
            10  O5x O     5.2996  -13.9378
            11  C8y C     3.1582  -12.6964
            12  O1a O     3.8754  -13.9344
            13  O1a O     2.4409  -11.4585
            14  C1a C     2.4444  -13.1102
            15  C8y C     6.7478  -11.4620
            16  C8x C     7.4616  -11.8792
            17  C8x C     6.7478  -10.6309
            18  C8x C     8.1823  -11.4654
            19  C8x C     7.4685  -10.2206
            20  C8x C     8.1858  -10.6378
BOND        22
            1     3   7 1
            2     4   8 2
            3     5   9 1
            4     5  10 2
            5     6  11 2
            6     6  12 1
            7     8  13 1
            8    11  14 1
            9     7   9 1
            10    8  11 1
            11    7  15 1 #Down
            12    1   2 2
            13    1   3 1
            14    1   4 1
            15    2   5 1
            16    2   6 1
            17   15  16 2
            18   15  17 1
            19   16  18 1
            20   17  19 2
            21   18  20 2
            22   19  20 1


entry: C09940
name: --- - Chaksine
formula: C22H38N6O4
kcf:
ATOM        32
            1   C1y C    -1.6483    1.0483
            2   C1y C    -1.6448    1.8828
            3   C7x C    -2.3690    0.6379
            4   C1x C    -0.9345    0.6379
            5   N2x N    -0.9759    2.3724
            6   C1x C    -2.3172    2.3724
            7   O7x O    -2.3690   -0.1931
            8   O7x O    -3.0897    1.0483
            9   C1x C    -0.2172    1.0448
            10  C2y C    -1.2310    3.1586
            11  N1x N    -2.0586    3.1621
            12  C1x C    -1.6517   -0.6069
            13  C1x C     0.5000    0.6310
            14  N1a N    -0.8172    3.8828
            15  C1y C    -1.6517   -1.4310
            16  C1y C     1.2207    1.0345
            17  C1x C    -0.9414   -1.8414
            18  C1a C    -2.3724   -1.8345
            19  C1x C     1.9345    0.6172
            20  C1a C     1.2138    1.8655
            21  C1x C    -0.2310   -1.4310
            22  O7x O     1.9276   -0.2103
            23  C1x C     0.4828   -1.8448
            24  C7x C     1.2069   -0.6172
            25  C1y C     1.2000   -1.4414
            26  O7x O     0.4828   -0.1966
            27  C1y C     1.9172   -1.8621
            28  N2x N     2.1724   -2.6517
            29  C1x C     2.5897   -1.3759
            30  C2y C     3.0035   -2.6517
            31  N1x N     3.2586   -1.8621
            32  N1a N     3.4103   -3.3621
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    9  13 1
            13   10  14 1
            14   12  15 1
            15   13  16 1
            16   15  17 1
            17   15  18 1 #Up
            18   16  19 1
            19   16  20 1 #Up
            20   17  21 1
            21   19  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 2
            26   25  27 1
            27   27  28 1
            28   27  29 1
            29   28  30 2
            30   29  31 1
            31   30  32 1
            32   10  11 1
            33   24  25 1
            34   30  31 1


entry: C09941
name: --- - Hypercalin B
formula: C33H42O5
kcf:
ATOM        38
            1   C1z C     6.6897   -5.6940
            2   C5x C     7.4069   -5.2767
            3   C2y C     5.9759   -5.2802
            4   C1b C     7.1103   -6.4043
            5   C1b C     6.2828   -6.4043
            6   C2y C     7.4035   -4.4457
            7   O5x O     8.1276   -5.6836
            8   C2y C     5.9655   -4.4560
            9   O1a O     5.2621   -5.6974
            10  C2b C     7.9414   -6.4043
            11  C2b C     5.4517   -6.4043
            12  C2y C     6.6828   -4.0353
            13  C5a C     8.1207   -4.0353
            14  C1b C     5.2448   -4.0457
            15  C2c C     8.3586   -7.1216
            16  C2c C     5.0414   -7.1216
            17  O1a O     6.6793   -3.2043
            18  C8y C     8.8276   -4.4526
            19  O5a O     8.1207   -3.2043
            20  C1y C     4.4483   -4.2595
            21  C1a C     9.1828   -7.1216
            22  C1a C     7.9414   -7.8422
            23  C1a C     4.2172   -7.1216
            24  C1a C     5.4517   -7.8422
            25  C8x C     8.8276   -5.2802
            26  C8x C     9.5448   -4.0353
            27  C1y C     3.6603   -4.0071
            28  C1z C     4.4517   -5.0871
            29  C8x C     9.5448   -5.6940
            30  C8x C    10.2655   -4.4526
            31  C1x C     3.1828   -4.6767
            32  C2c C     3.2491   -3.2898
            33  C1x C     3.6690   -5.3422
            34  C1a C     5.2586   -4.8629
            35  O1a O     4.4586   -5.9147
            36  C8x C    10.2655   -5.2802
            37  C1a C     3.6658   -2.5708
            38  C2a C     2.4227   -3.2886
BOND        40
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    8  14 1
            14   10  15 2
            15   11  16 2
            16   12  17 1
            17   13  18 1
            18   13  19 2
            19   14  20 1
            20   15  21 1
            21   15  22 1
            22   16  23 1
            23   16  24 1
            24   18  25 2
            25   18  26 1
            26   20  27 1
            27   20  28 1
            28   25  29 1
            29   26  30 2
            30   27  31 1
            31   27  32 1 #Down
            32   28  33 1
            33   28  34 1 #Down
            34   28  35 1 #Up
            35   29  36 2
            36   32  37 1
            37   32  38 2
            38    8  12 1
            39   30  36 1
            40   31  33 1


entry: C09942
name: --- - Karwinaphthol B
formula: C17H20O4
kcf:
ATOM        21
            1   C8y C    15.9378  -14.9565
            2   C8y C    15.9620  -14.1323
            3   C8y C    16.6378  -15.3841
            4   C8y C    15.2068  -15.3461
            5   C8x C    16.6792  -13.7392
            6   C8x C    15.2585  -13.6909
            7   C8y C    17.3620  -14.9909
            8   O1a O    16.6171  -16.2116
            9   C8x C    14.5033  -14.9116
            10  O2a O    15.1826  -16.1772
            11  C8y C    17.3827  -14.1703
            12  C8y C    14.5275  -14.0841
            13  C1y C    18.0620  -15.4185
            14  C1a C    14.4516  -16.5703
            15  C1x C    18.1033  -13.7737
            16  O2a O    13.8240  -13.6427
            17  O2x O    18.7861  -15.0289
            18  C1a C    18.0413  -16.2496
            19  C1y C    18.8068  -14.2047
            20  C1a C    13.0930  -14.0358
            21  C1a C    19.5344  -13.8116
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   15  19 1
            19   16  20 1
            20   19  21 1 #Down
            21    7  11 1
            22    9  12 1
            23   17  19 1


entry: C09943
name: --- - Dendrobine
formula: C16H25NO2
kcf:
ATOM        19
            1   C1z C     8.4525   -9.8152
            2   C1y C     7.7650  -10.2103
            3   C1y C     9.1358  -10.2103
            4   C1y C     8.4456   -9.0147
            5   C1a C     8.4456  -10.6124
            6   C1y C     7.7615  -11.0082
            7   N1y N     7.1809   -9.6849
            8   C1y C     9.1392  -11.0082
            9   C1x C     9.7267   -9.6815
            10  C1x C     7.4967   -8.9595
            11  C1x C     9.4040   -8.9560
            12  C1y C     8.4559  -11.4068
            13  O7x O     7.7669  -11.7743
            14  C1a C     6.3803   -9.6815
            15  C7x C     9.1337  -11.7743
            16  C1c C     8.4594  -12.1315
            17  O7x O     9.8212  -12.1728
            18  C1a C     7.7650  -12.5266
            19  C1a C     9.1427  -12.5232
BOND        22
            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    6  12 1
            12    6  13 1 #Up
            13    7  14 1
            14    8  15 1 #Up
            15   12  16 1 #Down
            16   15  17 2
            17   16  18 1
            18   16  19 1
            19    7  10 1
            20    8  12 1
            21    9  11 1
            22   13  15 1


entry: C09944
name: --- - Karwinskione
formula: C32H32O7
kcf:
ATOM        39
            1   C8y C    15.2556  -14.3561
            2   C8y C    14.5349  -13.9492
            3   C8y C    15.2590  -15.1837
            4   C8y C    15.9728  -13.9389
            5   C8y C    13.8211  -14.3630
            6   C8x C    14.5384  -13.1217
            7   C8y C    14.5453  -15.6010
            8   C1x C    15.9763  -15.5941
            9   C8y C    16.6832  -14.3527
            10  C8x C    15.9625  -13.1148
            11  C8x C    13.8246  -15.1906
            12  C8y C    13.1004  -13.9492
            13  C8y C    13.8211  -12.7044
            14  C1y C    14.5487  -16.4251
            15  C1y C    15.9797  -16.4182
            16  C8y C    17.4004  -13.9355
            17  O1a O    16.6832  -15.1803
            18  C8x C    16.6763  -12.6941
            19  C8x C    13.1004  -13.1217
            20  O2a O    12.3832  -14.3630
            21  O2a O    13.8211  -11.8768
            22  O2x O    15.2659  -16.8320
            23  C1a C    13.8349  -16.8424
            24  C1a C    16.6970  -16.8251
            25  C8y C    17.3935  -13.1079
            26  C8y C    18.1211  -14.3424
            27  C1a C    11.6625  -13.9527
            28  C1a C    13.1039  -11.4630
            29  C8x C    18.1039  -12.6872
            30  C8y C    18.8349  -13.9217
            31  O1a O    18.1280  -15.1699
            32  C8y C    18.8211  -13.0975
            33  C5x C    19.5556  -14.3217
            34  C1x C    19.5315  -12.6699
            35  C1x C    20.2659  -13.9010
            36  O5x O    19.5694  -15.1527
            37  C1z C    20.2522  -13.0768
            38  C1a C    20.9659  -12.6492
            39  O1a O    20.2453  -12.2458
BOND        44
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16    9  17 1
            17   10  18 2
            18   12  19 2
            19   12  20 1
            20   13  21 1
            21   14  22 1
            22   14  23 1 #Either
            23   15  24 1 #Either
            24   16  25 2
            25   16  26 1
            26   20  27 1
            27   21  28 1
            28   25  29 1
            29   26  30 2
            30   26  31 1
            31   29  32 2
            32   30  33 1
            33   32  34 1
            34   33  35 1
            35   33  36 2
            36   34  37 1
            37   37  38 1 #Either
            38   37  39 1 #Either
            39    7  11 2
            40   13  19 1
            41   15  22 1
            42   18  25 1
            43   30  32 1
            44   35  37 1


entry: C09945
name: --- - Deoxynupharidine
formula: C15H23NO
kcf:
ATOM        17
            1   C1y C    10.2539   -8.0829
            2   N1y N     9.5366   -7.6656
            3   C8y C    10.2138   -8.9052
            4   C1x C    10.9746   -7.6725
            5   C1y C     9.5401   -6.8380
            6   C1x C     8.8228   -8.0794
            7   C1x C    10.9780   -6.8449
            8   C1y C    10.2608   -6.4242
            9   C1x C     8.8228   -6.4208
            10  C1y C     8.1056   -7.6656
            11  C1a C    10.2539   -5.5932
            12  C1x C     8.1056   -6.8380
            13  C1a C     7.3849   -8.0760
            14  C8x C     9.5226   -9.3539
            15  O2x O     9.7387  -10.1493
            16  C8x C    10.5622  -10.1882
            17  C8x C    10.8523   -9.4167
BOND        19
            1     2   5 1
            2     2   6 1
            3     4   7 1
            4     5   8 1
            5     5   9 1
            6     6  10 1
            7     8  11 1 #Down
            8     9  12 1
            9    10  13 1 #Up
            10    7   8 1
            11   10  12 1
            12   14  15 1
            13    1   2 1
            14    1   3 1
            15    1   4 1
            16    3  14 2
            17   15  16 1
            18   16  17 2
            19   17   3 1


entry: C09946
formula: C10H13NO4
name:
--- 
- Enicoflavine
- 3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran- 4-acetaldehyde

kcf:
ATOM        15
            1   C1z C     0.0000    0.2759
            2   C2y C    -0.7207   -0.1379
            3   C1c C     0.7172   -0.1379
            4   C1x C     0.0000    1.1035
            5   O1a O     0.7207    0.6931
            6   C7x C    -1.4379    0.2759
            7   C2b C    -0.7138   -0.9655
            8   C2b C     0.7172   -0.9621
            9   C4a C     1.4345    0.2690
            10  C1x C    -0.7207    1.5207
            11  O7x O    -1.4379    1.1035
            12  O7x O    -2.1517   -0.1379
            13  N1a N     0.0069   -1.3793
            14  C2a C     1.4379   -1.3759
            15  O4a O     2.1483   -0.1414
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Either
            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    8  14 2
            14    9  15 2
            15   10  11 1


entry: C09947
name: --- - Kawain
formula: C14H14O3
kcf:
ATOM        17
            1   C1y C    17.0268  -14.8991
            2   C1x C    17.0268  -15.7267
            3   O7x O    17.7441  -14.4853
            4   C2b C    16.3096  -14.4888
            5   C2y C    17.7441  -16.1405
            6   C7x C    18.4613  -14.8957
            7   C2b C    15.5924  -14.9026
            8   C2x C    18.4613  -15.7233
            9   O2a O    17.7441  -16.9716
            10  O7x O    19.1751  -14.4819
            11  C8y C    14.8786  -14.4957
            12  C1a C    18.4648  -17.3819
            13  C8x C    14.8786  -13.6647
            14  C8x C    14.1648  -14.9060
            15  C8x C    14.1648  -13.2474
            16  C8x C    13.4475  -14.4957
            17  C8x C    13.4475  -13.6647
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   11  14 2
            14   13  15 2
            15   14  16 1
            16   15  17 1
            17    6   8 1
            18   16  17 2


entry: C09948
name: --- - Kolanone
formula: C33H42O4
kcf:
ATOM        37
            1   C1b C     9.0329   -7.4977
            2   C2b C     8.2053   -7.4977
            3   C2c C     7.7915   -8.2115
            4   C1b C     6.9639   -8.2115
            5   C1a C     8.2087   -8.9322
            6   C1b C     6.5501   -8.9288
            7   C2b C     5.7260   -8.9288
            8   C2c C     5.3122   -9.6460
            9   C1a C     4.4880   -9.6460
            10  C1a C     5.7294  -10.3633
            11  C1z C     9.4516   -6.7852
            12  C5x C    10.1689   -6.3749
            13  C2y C     8.7378   -6.3714
            14  C1b C     9.8758   -7.4990
            15  C2y C    10.1723   -5.5507
            16  O5x O    10.8861   -6.7921
            17  C2y C     8.7413   -5.5473
            18  O1a O     8.0171   -6.7818
            19  C2b C    10.7033   -7.4956
            20  C2y C     9.4585   -5.1335
            21  C5a C    10.8861   -5.1370
            22  C1b C     8.0240   -5.1266
            23  C2c C    11.1206   -8.2128
            24  O1a O     9.4585   -4.3025
            25  C8y C    11.6033   -5.5542
            26  O5a O    10.8895   -4.3094
            27  C2b C     7.3102   -5.5370
            28  C1a C    11.9516   -8.2094
            29  C1a C    10.7137   -8.9335
            30  C8x C    11.5999   -6.3818
            31  C8x C    12.3171   -5.1404
            32  C2c C     6.5964   -5.1197
            33  C8x C    12.3137   -6.7990
            34  C8x C    13.0344   -5.5576
            35  C1a C     5.8792   -5.5335
            36  C1a C     6.5964   -4.2921
            37  C8x C    13.0344   -6.3887
BOND        38
            1     7   8 2
            2     8   9 1
            3     8  10 1
            4     1   2 1
            5     2   3 2
            6     3   4 1
            7     3   5 1
            8     4   6 1
            9     6   7 1
            10   11  12 1
            11   11  13 1
            12   11  14 1 #Up
            13   12  15 1
            14   12  16 2
            15   13  17 2
            16   13  18 1
            17   14  19 1
            18   15  20 2
            19   15  21 1
            20   17  22 1
            21   19  23 2
            22   20  24 1
            23   21  25 1
            24   21  26 2
            25   22  27 1
            26   23  28 1
            27   23  29 1
            28   25  30 2
            29   25  31 1
            30   27  32 2
            31   30  33 1
            32   31  34 2
            33   32  35 1
            34   32  36 1
            35   33  37 2
            36   17  20 1
            37   34  37 1
            38   11   1 1 #Down


entry: C09949
name: --- - Fabianine
formula: C14H21NO
kcf:
ATOM        16
            1   C8y C     0.0897    0.0517
            2   C8y C     0.0931    0.8828
            3   C1y C    -0.6207   -0.3621
            4   N5x N     0.8034   -0.3621
            5   C1y C    -0.6207    1.2966
            6   C8x C     0.8103    1.2931
            7   C1x C    -1.3414    0.0517
            8   C1d C    -0.6310   -1.1897
            9   C8y C     1.5241    0.0448
            10  C1x C    -1.3414    0.8828
            11  C1a C    -0.6310    2.1276
            12  C8x C     1.5276    0.8759
            13  C1a C    -1.3517   -1.6035
            14  C1a C     0.0862   -1.6069
            15  O1a O    -0.6345   -2.0172
            16  C1a C     2.2379   -0.3655
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 2
            12    8  13 1
            13    8  14 1
            14    8  15 1
            15    9  16 1
            16    7  10 1
            17    9  12 1


entry: C09950
name: --- - Lapachenole
formula: C16H16O2
kcf:
ATOM        18
            1   C8y C     0.0793   -0.3759
            2   C8y C    -0.6379    0.0345
            3   C8y C     0.8000    0.0276
            4   O2x O     0.0724   -1.2034
            5   C8y C    -0.6345    0.8621
            6   C8x C    -1.3448   -0.3793
            7   C8x C     0.8034    0.8586
            8   C2x C     1.5103   -0.3897
            9   C1z C     0.7828   -1.6241
            10  C8y C     0.0862    1.2759
            11  C8x C    -1.3448    1.2793
            12  C8x C    -2.0655    0.0345
            13  C2x C     1.5035   -1.2138
            14  C1a C     1.1966   -2.3379
            15  C1a C     0.3655   -2.3379
            16  O2a O     0.0897    2.1069
            17  C8x C    -2.0655    0.8621
            18  C1a C     0.8103    2.5138
BOND        20
            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    8  13 2
            13    9  14 1
            14    9  15 1
            15   10  16 1
            16   11  17 2
            17   16  18 1
            18    7  10 2
            19    9  13 1
            20   12  17 1


entry: C09951
name: --- - Maclurin
formula: C13H10O6
kcf:
ATOM        19
            1   C8y C    15.5978  -14.1047
            2   C5a C    16.3116  -13.6875
            3   C8y C    15.6013  -14.9358
            4   C8y C    14.8737  -13.6909
            5   C8y C    17.0254  -14.1013
            6   O5a O    16.3116  -12.8599
            7   C8x C    14.8840  -15.3496
            8   O1a O    16.3220  -15.3427
            9   C8x C    14.1599  -14.1116
            10  O1a O    14.8703  -12.8634
            11  C8x C    17.7427  -13.6841
            12  C8x C    17.0254  -14.9289
            13  C8y C    14.1634  -14.9427
            14  C8y C    18.4634  -14.1013
            15  C8x C    17.7427  -15.3427
            16  O1a O    13.4496  -15.3565
            17  C8y C    18.4634  -14.9289
            18  O1a O    19.1772  -13.6841
            19  O1a O    19.1772  -15.3427
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    7  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 1
            18   17  19 1
            19    9  13 2
            20   15  17 2


entry: C09952
name: --- - Methysticin
formula: C15H14O5
kcf:
ATOM        20
            1   C8y C    14.0845  -14.5108
            2   C8y C    14.0845  -13.6797
            3   C8x C    14.8052  -14.9211
            4   O2x O    13.2948  -14.7625
            5   C8x C    14.8052  -13.2625
            6   O2x O    13.2983  -13.4246
            7   C8y C    15.5224  -14.5108
            8   C1x C    12.8086  -14.0901
            9   C8x C    15.5224  -13.6797
            10  C2b C    16.2362  -14.9211
            11  C2b C    16.9534  -14.5142
            12  C1y C    17.6672  -14.9246
            13  C1x C    17.6672  -15.7522
            14  O7x O    18.3810  -14.5142
            15  C2y C    18.3810  -16.1694
            16  C7x C    19.0983  -14.9280
            17  C2x C    19.0983  -15.7556
            18  O2a O    18.3776  -17.0004
            19  O7x O    19.8190  -14.5177
            20  C1a C    19.0983  -17.4142
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     4   8 1
            8     5   9 2
            9     7  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   15  18 1
            18   16  19 2
            19   18  20 1
            20    6   8 1
            21    7   9 1
            22   16  17 1


entry: C09953
name: --- - Monocerin
formula: C16H20O6
kcf:
ATOM        22
            1   C8y C    -0.1862    0.0966
            2   C8y C    -0.1897   -0.7310
            3   C1y C     0.5345    0.5103
            4   C8x C    -0.9000    0.5138
            5   C8y C    -0.9000   -1.1448
            6   C7x C     0.5276   -1.1483
            7   C1y C     1.2483    0.0862
            8   O2x O     0.7138    1.3207
            9   C8y C    -1.6207    0.0966
            10  C8y C    -1.6207   -0.7310
            11  O1a O    -0.8966   -1.9759
            12  O7x O     1.2448   -0.7379
            13  O7x O     0.5241   -1.9759
            14  C1x C     1.8690    0.6379
            15  C1y C     1.5379    1.3966
            16  O2a O    -2.3379    0.5138
            17  O2a O    -2.3379   -1.1448
            18  C1b C     2.2517    1.8172
            19  C1a C    -3.0586    0.0966
            20  C1a C    -3.0586   -0.7345
            21  C1b C     2.9724    1.4138
            22  C1a C     3.6862    1.8310
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   15  18 1 #Up
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21   21  22 1
            22    7  12 1
            23    9  10 1
            24   14  15 1


entry: C09954
name: --- - Nepodin - Musizin
formula: C13H12O3
kcf:
ATOM        16
            1   C8y C     8.3005   -7.2120
            2   C8y C     8.2971   -6.3809
            3   C8y C     9.0212   -7.6258
            4   C8y C     7.5833   -7.6258
            5   C8x C     9.0143   -5.9671
            6   C8x C     7.5833   -5.9671
            7   C8y C     9.7385   -7.2051
            8   O1a O     9.0247   -8.4533
            9   C8x C     6.8626   -7.2120
            10  O1a O     7.5867   -8.4568
            11  C8y C     9.7316   -6.3775
            12  C8x C     6.8626   -6.3809
            13  C5a C    10.4557   -7.6120
            14  C1a C    10.4385   -5.9602
            15  C1a C    11.1661   -7.1913
            16  O5a O    10.4626   -8.4430
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 2
            16    7  11 1
            17    9  12 1


entry: C09955
name: --- - Ochratoxin A
formula: C20H18ClNO6
kcf:
ATOM        28
            1   C8y C    14.2431   -6.6712
            2   C8y C    14.2500   -7.4988
            3   C8y C    13.5259   -6.2609
            4   C1x C    14.9534   -6.2540
            5   C8y C    13.5328   -7.9161
            6   C7x C    14.9707   -7.9057
            7   C8x C    12.8121   -6.6747
            8   X   Cl   13.5224   -5.4299
            9   C1y C    15.6741   -6.6574
            10  C8y C    12.8190   -7.5057
            11  O1a O    13.5397   -8.7471
            12  O7x O    15.6810   -7.4816
            13  O7x O    14.9776   -8.7333
            14  C1a C    16.3879   -6.2367
            15  C5a C    12.1017   -7.9161
            16  N1b N    11.3845   -7.4988
            17  O5a O    12.0983   -8.7471
            18  C1c C    10.6672   -7.9126
            19  C1b C     9.9534   -7.4954
            20  C6a C    10.6638   -8.7436
            21  C8y C     9.2362   -7.9092
            22  O6a O     9.9431   -9.1505
            23  O6a O    11.3810   -9.1574
            24  C8x C     8.5224   -7.4919
            25  C8x C     9.2362   -8.7368
            26  C8x C     7.8017   -7.9092
            27  C8x C     8.5224   -9.1505
            28  C8x C     7.8017   -8.7368
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 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    9  14 1 #Up
            14   10  15 1
            15   15  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1 #Down
            20   19  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   21  25 2
            25   24  26 2
            26   25  27 1
            27   26  28 1
            28    7  10 1
            29    9  12 1
            30   27  28 2


entry: C09956
name: --- - Ohioensin-A
formula: C23H16O5
kcf:
ATOM        28
            1   C1y C    16.3167  -14.9607
            2   C8y C    15.5994  -15.3702
            3   C1y C    16.3167  -14.1365
            4   C1y C    17.0306  -15.3754
            5   C8y C    14.8856  -14.9589
            6   C8y C    15.5960  -16.1944
            7   C8y C    15.5993  -13.7184
            8   O2x O    17.0304  -13.7133
            9   C8y C    17.7546  -14.9555
            10  C1x C    17.0271  -16.2030
            11  C8y C    14.8856  -14.1347
            12  C8y C    14.1752  -15.3649
            13  C5x C    16.3098  -16.6125
            14  C8y C    14.8788  -16.6074
            15  C8x C    15.5993  -12.8942
            16  C8y C    17.7511  -14.1279
            17  C8x C    18.4753  -15.3633
            18  C8x C    14.1717  -13.7200
            19  C8x C    14.1717  -16.1926
            20  O1a O    13.4579  -14.9502
            21  O5x O    16.3065  -17.4436
            22  O1a O    14.8753  -17.4384
            23  C8y C    14.8889  -12.4829
            24  C8x C    18.4614  -13.7047
            25  C8x C    19.1890  -14.9435
            26  C8x C    14.1716  -12.8925
            27  O1a O    14.8888  -11.6519
            28  C8x C    19.1821  -14.1159
BOND        33
            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     4   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 1
            15    8  16 1
            16    9  17 1
            17   11  18 1
            18   12  19 1
            19   12  20 1
            20   13  21 2
            21   14  22 1
            22   15  23 2
            23   16  24 1
            24   17  25 2
            25   18  26 2
            26   23  27 1
            27   24  28 2
            28    7  11 2
            29    9  16 2
            30   10  13 1
            31   14  19 2
            32   23  26 1
            33   25  28 1


entry: C09957
name: --- - Gentianadine
formula: C8H7NO2
kcf:
ATOM        11
            1   C8y C     0.5241    0.2207
            2   C8y C    -0.1966   -0.1862
            3   C1x C     0.5276    1.0483
            4   C8x C     1.2414   -0.2000
            5   C7x C    -0.9103    0.2310
            6   C8x C    -0.2069   -1.0103
            7   C1x C    -0.1862    1.4690
            8   C8x C     1.2310   -1.0276
            9   O7x O    -0.9034    1.0586
            10  O7x O    -1.6276   -0.1690
            11  N5x N     0.5069   -1.4345
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7   9 1
            12    8  11 1


entry: C09958
name: --- - Orthosporin
formula: C12H12O5
kcf:
ATOM        17
            1   C8y C    15.6108  -12.9837
            2   C8y C    15.6142  -13.8113
            3   C8x C    16.3280  -12.5665
            4   C8x C    14.9004  -12.5699
            5   C8y C    16.3349  -14.2251
            6   C8y C    14.9004  -14.2286
            7   C8y C    17.0487  -12.9768
            8   C8y C    14.1797  -12.9837
            9   O7x O    17.0522  -13.8079
            10  O7x O    16.3384  -15.0561
            11  C8x C    14.1797  -13.8113
            12  O1a O    14.9004  -15.0596
            13  C1b C    17.7625  -12.5665
            14  O1a O    13.4591  -12.5699
            15  C1c C    18.4797  -12.9803
            16  C1a C    19.1901  -12.5699
            17  O1a O    18.4763  -13.8079
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   13  15 1
            15   15  16 1
            16   15  17 1 #Down
            17    7   9 1
            18    8  11 1


entry: C09959
name: --- - Paeoniflorin
formula: C23H28O11
kcf:
ATOM        34
            1   O7a O    10.4722   -9.5326
            2   C7a C     9.7809   -9.9223
            3   C8y C     9.7751  -10.7172
            4   O7a O     9.0995   -9.5255
            5   C8x C    10.4623  -11.1110
            6   C8x C     9.0892  -11.1116
            7   C8x C    10.4595  -11.9035
            8   C8x C     9.0928  -11.8999
            9   C8x C     9.7758  -12.2978
            10  C1b C    10.4773   -8.7201
            11  C1z C     9.8092   -7.8716
            12  C1z C     9.0665   -8.1536
            13  C1y C    10.5691   -8.0846
            14  C1y C     9.7712   -7.0806
            15  C1z C     8.5714   -7.5309
            16  C1x C     9.7764   -8.4737
            17  O2a O     8.3564   -8.5466
            18  C1z C    11.0133   -7.4247
            19  O2x O     9.0079   -6.8710
            20  O2x O    10.5181   -6.8020
            21  C1x C     9.3897   -7.2539
            22  C1a C     7.7622   -7.5293
            23  C1y C     7.6654   -8.9363
            24  O1a O    11.8279   -7.3970
            25  O2x O     6.9786   -8.5307
            26  C1y C     7.6524   -9.7288
            27  C1y C     6.2876   -8.9205
            28  C1y C     6.9643  -10.1202
            29  O1a O     8.3344  -10.1355
            30  C1y C     6.2793   -9.7116
            31  C1b C     5.6056   -8.5179
            32  O1a O     6.9531  -10.9097
            33  O1a O     5.5901  -10.0985
            34  O1a O     4.8982   -8.9126
BOND        39
            1     3   6 2
            2     5   7 2
            3     6   8 1
            4     7   9 1
            5     8   9 2
            6     1  10 1
            7     1   2 1
            8     2   3 1
            9     2   4 2
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  10 1 #Up
            14   12  15 1
            15   12  16 1
            16   12  17 1 #Up
            17   13  18 1
            18   14  19 1
            19   14  20 1
            20   15  21 1 #Down
            21   15  22 1
            22   23  17 1 #Up
            23   18  24 1
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   26  28 1
            28   26  29 1 #Down
            29   27  30 1
            30   27  31 1 #Up
            31   28  32 1 #Up
            32   30  33 1 #Down
            33   13  16 1
            34   15  19 1
            35   18  20 1
            36   18  21 1 #Down
            37   28  30 1
            38    3   5 1
            39   31  34 1


entry: C09960
name: --- - Gentianaine
formula: C6H7NO3
kcf:
ATOM        10
            1   C2y C    -0.0759   -0.2897
            2   C5x C     0.6448    0.1241
            3   C7x C    -0.7931    0.1241
            4   C2b C    -0.0690   -1.1207
            5   C1x C     0.6448    0.9517
            6   O5x O     1.3655   -0.2862
            7   O7x O    -0.7931    0.9517
            8   O7x O    -1.5069   -0.2897
            9   N1a N     0.6517   -1.5310
            10  C1x C    -0.0759    1.3690
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    7  10 1


entry: C09961
name: --- - Gentianamine
formula: C11H11NO3
kcf:
ATOM        15
            1   C8y C     0.0000    0.0552
            2   C8y C    -0.7172   -0.3552
            3   C1y C     0.0069    0.8793
            4   C8y C     0.7172   -0.3655
            5   C7x C    -1.4345    0.0621
            6   C8x C    -0.7310   -1.1793
            7   C1x C    -0.7103    1.3000
            8   C1b C     0.7276    1.3000
            9   C8x C     0.7069   -1.1966
            10  C2b C     1.4379    0.0379
            11  O7x O    -1.4276    0.8897
            12  O7x O    -2.1517   -0.3379
            13  N5x N    -0.0172   -1.6035
            14  O1a O     1.4448    0.8897
            15  C2a C     2.1483   -0.3793
BOND        16
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Either
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    8  14 1
            14   10  15 2
            15    7  11 1
            16    9  13 1


entry: C09962
name: --- - Gentioflavine
formula: C10H11NO3
kcf:
ATOM        14
            1   C2y C     0.0552    0.3276
            2   C2y C    -0.6655   -0.0828
            3   C2y C     0.7690   -0.0966
            4   C1x C     0.0586    1.1552
            5   C7x C    -1.3793    0.3345
            6   C2x C    -0.6759   -0.9103
            7   C1y C     0.7586   -0.9276
            8   C4a C     1.4931    0.3138
            9   C1x C    -0.6552    1.5690
            10  O7x O    -1.3759    1.1621
            11  O7x O    -2.0966   -0.0690
            12  N1x N     0.0345   -1.3310
            13  C1a C     1.4724   -1.3379
            14  O4a O     2.2069   -0.1069
BOND        15
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1 #Either
            13    8  14 2
            14    7  12 1
            15    9  10 1


entry: C09963
name: --- - Polygonolide
formula: C12H12O4
kcf:
ATOM        16
            1   C8y C    16.6727  -14.5763
            2   C8y C    16.6762  -15.4031
            3   C8x C    15.9624  -14.1591
            4   C8y C    17.3858  -14.1591
            5   C8y C    15.9624  -15.8094
            6   C8y C    17.3927  -15.8059
            7   C8y C    15.2458  -14.5763
            8   C8y C    18.0988  -14.5694
            9   C1a C    17.3823  -13.3322
            10  C8x C    15.2458  -15.4031
            11  O1a O    15.9658  -16.6362
            12  O7x O    18.1023  -15.3962
            13  O7x O    17.3961  -16.6328
            14  O2a O    14.5328  -14.1591
            15  C1a C    18.8120  -14.1522
            16  C1a C    13.8163  -14.5763
BOND        17
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15   14  16 1
            16    7  10 2
            17    8  12 1


entry: C09964
name: --- - Purpurogallin
formula: C11H8O5
kcf:
ATOM        16
            1   C8y C    -0.0517   -0.1103
            2   C8y C    -0.0517    0.7172
            3   C8y C     0.6655   -0.5241
            4   C5x C    -0.7000   -0.6345
            5   C8x C     0.6655    1.1276
            6   C2x C    -0.7069    1.2345
            7   C8y C     1.3793   -0.1103
            8   O1a O     0.6655   -1.3483
            9   C2y C    -1.5103   -0.4586
            10  O5x O    -0.5103   -1.4379
            11  C8y C     1.3793    0.7138
            12  C2x C    -1.5172    1.0448
            13  O1a O     2.0931   -0.5241
            14  C2x C    -1.8724    0.2897
            15  O1a O    -2.0207   -1.1035
            16  O1a O     2.0931    1.1276
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13    9  14 2
            14    9  15 1
            15   11  16 1
            16    7  11 1
            17   12  14 1


entry: C09965
name: --- - Rhododendrin
formula: C16H24O7
kcf:
ATOM        23
            1   C1c C    11.6974   -8.6096
            2   C1b C    12.4150   -8.1911
            3   C1b C    13.1257   -8.6016
            4   C8y C    13.8447   -8.1849
            5   C8x C    14.5602   -8.6042
            6   C8x C    15.2792   -8.1875
            7   C8y C    15.2794   -7.3580
            8   C8x C    14.5605   -6.9452
            9   C8x C    13.8415   -7.3577
            10  O1a O    15.9981   -6.9456
            11  C1a C    10.9777   -8.1947
            12  O2a O    11.6995   -9.4387
            13  C1y C    10.9837   -9.8605
            14  O2x O    10.2654   -9.4472
            15  C1y C    10.9809  -10.6888
            16  C1y C     9.5479   -9.8582
            17  C1y C    10.2633  -11.1039
            18  O1a O    11.6992  -11.1027
            19  C1y C     9.5485  -10.6864
            20  C1b C     8.8296   -9.4449
            21  O1a O    10.2639  -11.9322
            22  O1a O     8.8309  -11.1016
            23  O1a O     8.1119   -9.8593
BOND        24
            1     3   4 1
            2     1  12 1 #Down
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     7   8 1
            7     8   9 2
            8     9   4 1
            9     1   2 1
            10    7  10 1
            11    2   3 1
            12    1  11 1
            13   13  14 1
            14   13  15 1
            15   13  12 1 #Up
            16   14  16 1
            17   15  17 1
            18   15  18 1 #Down
            19   16  19 1
            20   16  20 1 #Up
            21   17  21 1 #Up
            22   19  22 1 #Down
            23   20  23 1
            24   17  19 1


entry: C09966
name: --- - Robustadial A
formula: C23H30O5
kcf:
ATOM        28
            1   C1z C    16.3384  -13.8076
            2   C1y C    17.0556  -14.2214
            3   O2x O    15.6246  -13.3904
            4   C1x C    16.3384  -14.6387
            5   C1x C    16.3384  -12.9801
            6   C1z C    17.7728  -13.8111
            7   C1x C    17.0522  -13.3904
            8   C8y C    14.9039  -13.8042
            9   C1y C    15.6177  -15.0490
            10  C1x C    17.0591  -12.5663
            11  C1y C    17.7728  -12.9835
            12  C1a C    18.6004  -13.8076
            13  C1a C    18.1797  -14.5249
            14  C8y C    14.9004  -14.6318
            15  C8y C    14.1901  -13.3870
            16  C1b C    15.6142  -15.8766
            17  C8y C    14.1901  -15.0456
            18  C8y C    13.4694  -13.8042
            19  C4a C    14.1901  -12.5594
            20  C1c C    16.3315  -16.2870
            21  C8y C    13.4694  -14.6318
            22  O1a O    14.1901  -15.8732
            23  O1a O    12.7522  -13.3870
            24  C1a C    17.0487  -15.8697
            25  C1a C    16.3349  -17.1180
            26  C4a C    12.7556  -15.0456
            27  O4a O    12.7556  -15.8732
            28  O4a O    13.4756  -12.1469
BOND        31
            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 #Down
            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    8  14 2
            14    8  15 1
            15    9  16 1 #Up
            16   14  17 1
            17   15  18 2
            18   15  19 1
            19   16  20 1
            20   17  21 2
            21   17  22 1
            22   18  23 1
            23   20  24 1
            24   20  25 1
            25   21  26 1
            26   26  27 2
            27   11   7 1 #Down
            28    9  14 1
            29   10  11 1
            30   18  21 1
            31   19  28 2


entry: C09967
name: --- - Taxifolin 3-O-acetate
formula: C17H14O8
kcf:
ATOM        25
            1   C1y C     5.4167  -12.0297
            2   C1y C     5.4133  -12.8566
            3   O2x O     4.7029  -11.6167
            4   C5x C     4.6960  -13.2635
            5   O7a O     6.1263  -13.2704
            6   C8y C     3.9863  -12.0263
            7   C8y C     3.9829  -12.8497
            8   O5x O     4.6926  -14.0904
            9   C7a C     6.1228  -14.0973
            10  C8x C     3.2767  -11.6133
            11  C8y C     3.2767  -13.2635
            12  C1a C     6.8359  -14.5103
            13  O7a O     5.4064  -14.5069
            14  C8y C     2.5602  -12.0263
            15  C8x C     2.5602  -12.8497
            16  O1a O     3.2767  -14.0870
            17  O1a O     1.8436  -11.6133
            18  C8y C     6.1322  -11.6190
            19  C8x C     6.1332  -10.7967
            20  C8x C     6.8428  -12.0401
            21  C8y C     6.8497  -10.3898
            22  C8x C     7.5594  -11.6305
            23  C8y C     7.5628  -10.8036
            24  O1a O     6.8531   -9.5629
            25  O1a O     8.2793  -10.3932
BOND        27
            1     5   9 1
            2     6  10 1
            3     7  11 1
            4     9  12 1
            5     9  13 2
            6    10  14 2
            7    11  15 2
            8    11  16 1
            9    14  17 1
            10    6   7 2
            11   14  15 1
            12    1  18 1 #Down
            13    1   2 1
            14    1   3 1
            15    2   4 1
            16    2   5 1 #Up
            17    3   6 1
            18    4   7 1
            19    4   8 2
            20   18  19 1
            21   18  20 2
            22   19  21 2
            23   20  22 1
            24   21  23 1
            25   21  24 1
            26   23  25 1
            27   22  23 2


entry: C09968
name: --- - Robustaol A
formula: C25H30O9
kcf:
ATOM        34
            1   C1b C    15.2807   -7.6293
            2   C8y C    16.2776   -7.0527
            3   C8y C    16.9740   -7.4582
            4   C8y C    16.2741   -6.2460
            5   C8y C    17.6788   -7.0492
            6   O1a O    16.9740   -8.2650
            7   C8y C    16.9706   -5.8447
            8   O1a O    15.5736   -5.8447
            9   C8y C    17.6753   -6.2426
            10  C5a C    18.3717   -7.4616
            11  C4a C    16.9706   -5.0379
            12  O1a O    18.3751   -5.8413
            13  C1b C    19.0689   -7.0561
            14  O4a O    16.2707   -4.6290
            15  C1c C    19.7694   -7.4651
            16  C1a C    20.4624   -7.0596
            17  C1a C    19.7659   -8.2719
            18  C8y C    14.2841   -7.0527
            19  C8y C    14.2841   -6.2426
            20  C8y C    13.5835   -7.4616
            21  C8y C    13.5835   -5.8447
            22  C8y C    12.8863   -7.0527
            23  O1a O    13.5870   -8.2684
            24  C8y C    12.8863   -6.2426
            25  C1a C    13.5870   -5.0345
            26  C5a C    12.1823   -7.4616
            27  O2a O    12.1823   -5.8413
            28  O5a O    12.1823   -8.2684
            29  C1c C    11.4859   -7.0527
            30  O1a O    14.9811   -5.8412
            31  C1a C    10.7763   -7.4619
            32  O5a O    18.3676   -8.2824
            33  C1a C    12.1793   -5.0204
            34  C1a C    11.4898   -6.2319
BOND        35
            1     2   1 1
            2     2   3 1
            3     2   4 2
            4     3   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   18  19 1
            14   18  20 2
            15   19  21 2
            16   20  22 1
            17   20  23 1
            18   21  24 1
            19   21  25 1
            20   22  26 1
            21   24  27 1
            22   26  28 2
            23   26  29 1
            24   22  24 2
            25   11  14 2
            26   19  30 1
            27   18   1 1
            28   13  15 1
            29   29  31 1
            30   15  16 1
            31   10  32 2
            32   15  17 1
            33   27  33 1
            34    7   9 2
            35   29  34 1


entry: C09969
name: --- - Sarothralin
formula: C31H34O8
kcf:
ATOM        39
            1   C1b C    15.6058  -15.5168
            2   C8y C    16.5943  -14.9444
            3   C8y C    17.2907  -15.3457
            4   C8y C    16.5908  -14.1418
            5   C8x C    17.9871  -14.9409
            6   O1a O    17.2907  -16.1483
            7   C8y C    17.2873  -13.7405
            8   O1a O    15.8944  -13.7405
            9   C8y C    17.9836  -14.1384
            10  C5a C    17.2873  -12.9379
            11  O2a O    18.6793  -13.7371
            12  O5a O    16.5874  -12.5332
            13  C2y C    14.6091  -14.9444
            14  C2y C    14.6091  -14.1384
            15  C5x C    13.9168  -15.3491
            16  C1z C    13.9168  -13.7405
            17  C2y C    13.2197  -14.9444
            18  O5x O    13.9203  -16.1517
            19  C2y C    13.2197  -14.1384
            20  C5a C    12.5198  -15.3491
            21  O1a O    12.5198  -13.7371
            22  O5a O    12.5198  -16.1517
            23  C1c C    11.8276  -14.9444
            24  O1a O    15.3020  -13.7370
            25  C1a C    11.1222  -15.3493
            26  C1a C    11.8315  -14.1277
            27  C1a C    13.5042  -13.0375
            28  C1a C    14.3209  -13.0375
            29  C8y C    17.9939  -12.5304
            30  C8x C    17.9925  -11.7169
            31  C8x C    18.6992  -11.3095
            32  C8x C    19.4090  -11.7187
            33  C8x C    19.4079  -12.5354
            34  C8x C    18.6971  -12.9428
            35  C1b C    19.3875  -14.1458
            36  C2b C    20.0917  -13.7375
            37  C2c C    20.7959  -14.1458
            38  C1a C    20.7949  -14.9625
            39  C1a C    21.5025  -13.7383
BOND        41
            1    15  17 1
            2    15  18 2
            3    16  19 1
            4    17  20 1
            5    19  21 1
            6    20  22 2
            7    20  23 1
            8    17  19 2
            9     7   9 2
            10   14  24 1
            11   13   1 1
            12    2   1 1
            13   23  25 1
            14   23  26 1
            15    2   3 1
            16   16  27 1
            17    2   4 2
            18   16  28 1
            19    3   5 2
            20   10  29 1
            21    3   6 1
            22    4   7 1
            23    4   8 1
            24    5   9 1
            25    7  10 1
            26   29  30 2
            27   30  31 1
            28   31  32 2
            29   32  33 1
            30   33  34 2
            31   34  29 1
            32    9  11 1
            33   11  35 1
            34   10  12 2
            35   35  36 1
            36   13  14 2
            37   36  37 2
            38   13  15 1
            39   37  38 1
            40   14  16 1
            41   37  39 1


entry: C09970
name: --- - Tephrowatsin A
formula: C22H26O4
kcf:
ATOM        26
            1   C8y C     4.9520  -13.0733
            2   C8y C     4.9555  -12.2422
            3   C8y C     4.2382  -13.4871
            4   C1y C     5.6658  -13.4905
            5   C8y C     4.2382  -11.8319
            6   O2x O     5.6727  -11.8319
            7   C8x C     3.5176  -13.0733
            8   O2a O     4.2417  -14.3181
            9   C1x C     6.3865  -13.0767
            10  O1a O     5.6624  -14.3216
            11  C8y C     3.5176  -12.2422
            12  C1b C     4.2417  -11.0009
            13  C1y C     6.3900  -12.2491
            14  C1a C     3.5245  -14.7319
            15  O2a O     2.8003  -11.8284
            16  C2b C     4.9589  -10.5871
            17  C1a C     2.0831  -12.2422
            18  C2c C     4.9589   -9.7560
            19  C1a C     5.6762   -9.3457
            20  C1a C     4.2417   -9.3422
            21  C8y C     7.1060  -11.8393
            22  C8x C     7.8245  -12.2560
            23  C8x C     7.1107  -11.0112
            24  C8x C     8.5451  -11.8491
            25  C8x C     7.8314  -10.5974
            26  C8x C     8.5486  -11.0181
BOND        28
            1     3   7 2
            2     3   8 1
            3     4   9 1
            4     4  10 1 #Up
            5     5  11 2
            6     5  12 1
            7     6  13 1
            8     8  14 1
            9    11  15 1
            10   12  16 1
            11   15  17 1
            12   16  18 2
            13   18  19 1
            14   18  20 1
            15    7  11 1
            16    9  13 1
            17   13  21 1 #Down
            18    1   2 2
            19    1   3 1
            20    1   4 1
            21    2   5 1
            22    2   6 1
            23   21  22 2
            24   21  23 1
            25   22  24 1
            26   23  25 2
            27   24  26 2
            28   25  26 1


entry: C09971
name: --- - Stypandrol
formula: C26H22O6
kcf:
ATOM        32
            1   C8y C    14.5236  -14.8013
            2   C8y C    14.5270  -15.6323
            3   C8y C    15.2408  -14.3875
            4   C8y C    13.8132  -14.3909
            5   C8x C    15.2477  -16.0461
            6   C8x C    13.8132  -16.0461
            7   C8y C    15.9615  -14.7944
            8   O1a O    15.2374  -13.5565
            9   C8y C    13.0926  -14.8013
            10  O1a O    13.8132  -13.5599
            11  C8x C    15.9650  -15.6254
            12  C8y C    13.0926  -15.6323
            13  C8y C    16.6753  -14.3806
            14  C5a C    12.3753  -14.3909
            15  C1a C    12.3753  -16.0496
            16  C8y C    17.3926  -14.7909
            17  C8x C    16.6684  -13.5530
            18  C1a C    11.6581  -14.8013
            19  O5a O    12.3753  -13.5599
            20  C8y C    18.1098  -14.3737
            21  O1a O    17.3926  -15.6185
            22  C8x C    17.3857  -13.1323
            23  C8y C    18.1064  -13.5461
            24  C8y C    18.8270  -14.7841
            25  C8x C    18.8202  -13.1289
            26  C8y C    19.5408  -14.3703
            27  O1a O    18.8305  -15.6116
            28  C8y C    19.5374  -13.5427
            29  C5a C    20.2546  -14.7841
            30  C1a C    20.2546  -13.1220
            31  C1a C    20.9719  -14.3772
            32  O5a O    20.2512  -15.6151
BOND        35
            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    6  12 2
            12    7  13 1
            13    9  14 1
            14   12  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   14  19 2
            19   16  20 1
            20   16  21 1
            21   17  22 2
            22   20  23 2
            23   20  24 1
            24   23  25 1
            25   24  26 2
            26   24  27 1
            27   25  28 2
            28   26  29 1
            29   28  30 1
            30   29  31 1
            31   29  32 2
            32    7  11 1
            33    9  12 1
            34   22  23 1
            35   26  28 1


entry: C09972
name: --- - Theasinensin A
formula: C44H34O22
kcf:
ATOM        66
            1   C1y C     4.5114  -10.5293
            2   C1y C     4.5114   -9.7090
            3   O2x O     5.2184  -10.9416
            4   C1x C     5.2184   -9.3002
            5   O7a O     3.8050   -9.3002
            6   C8y C     5.9212  -10.5259
            7   C8y C     5.9247   -9.7125
            8   C7a C     3.8050   -8.4801
            9   C8x C     6.6276  -10.9416
            10  C8y C     6.6345   -9.3037
            11  C8y C     3.0869   -8.0754
            12  O7a O     4.5114   -8.0754
            13  C8y C     7.3305  -10.5328
            14  C8x C     7.3339   -9.7159
            15  O1a O     6.6421   -8.4870
            16  C8x C     3.0945   -7.2705
            17  C8x C     2.3917   -8.4835
            18  O1a O     8.0333  -10.9485
            19  C8y C     2.3840   -6.8578
            20  C8y C     1.6812   -8.0754
            21  C8y C     1.6812   -7.2705
            22  O1a O     2.3840   -6.0413
            23  O1a O     0.9713   -8.4835
            24  O1a O     0.9713   -6.8578
            25  C8y C     3.8050  -10.9381
            26  C1y C     4.3588  -13.6964
            27  C8y C     5.0690  -13.2881
            28  C1y C     4.3554  -14.5166
            29  O2x O     3.6558  -13.2884
            30  C1x C     3.6448  -14.9220
            31  O7a O     5.0616  -14.9289
            32  C8y C     2.9454  -13.6930
            33  C8y C     2.9419  -14.5097
            34  C7a C     5.0582  -15.7457
            35  C8x C     2.2349  -13.2849
            36  C8y C     2.2349  -14.9220
            37  C8y C     5.7644  -16.1572
            38  O7a O     4.3519  -16.1503
            39  C8y C     1.5287  -13.6930
            40  C8x C     1.5287  -14.5097
            41  O1a O     2.2349  -15.7388
            42  C8x C     5.7610  -16.9705
            43  C8x C     6.4750  -15.7491
            44  O1a O     0.8222  -13.2849
            45  C8y C     6.4640  -17.3862
            46  C8y C     7.1779  -16.1572
            47  C8y C     7.1745  -16.9774
            48  O1a O     6.4606  -18.2030
            49  O1a O     7.8918  -15.7526
            50  O1a O     7.8884  -17.3897
            51  C8y C     5.0727  -12.4791
            52  C8y C     3.8050  -11.7583
            53  C8y C     5.7824  -12.0704
            54  C8y C     3.0945  -12.1629
            55  C8x C     5.7755  -13.7033
            56  C8y C     6.4853  -12.4860
            57  O1a O     5.7859  -11.2536
            58  C8x C     3.0945  -10.5293
            59  C8y C     2.3840  -11.7583
            60  O1a O     3.0945  -12.9791
            61  C8y C     6.4819  -13.3029
            62  O1a O     7.1958  -12.0773
            63  C8y C     2.3840  -10.9381
            64  O1a O     1.6778  -12.1629
            65  O1a O     7.1848  -13.7143
            66  O1a O     1.6778  -10.5259
BOND        73
            1    10  15 1
            2    11  16 2
            3    11  17 1
            4    13  18 1
            5    16  19 1
            6    17  20 2
            7    19  21 2
            8    19  22 1
            9    20  23 1
            10   21  24 1
            11    6   7 2
            12   13  14 1
            13   20  21 1
            14    1  25 1 #Down
            15    1   2 1
            16    1   3 1
            17    2   4 1
            18    2   5 1 #Down
            19    3   6 1
            20    4   7 1
            21    5   8 1
            22    6   9 1
            23    7  10 1
            24    8  11 1
            25    8  12 2
            26    9  13 2
            27   10  14 2
            28   35  39 2
            29   36  40 2
            30   36  41 1
            31   37  42 2
            32   37  43 1
            33   39  44 1
            34   42  45 1
            35   43  46 2
            36   45  47 2
            37   45  48 1
            38   46  49 1
            39   47  50 1
            40   32  33 2
            41   39  40 1
            42   46  47 1
            43   26  27 1 #Down
            44   26  28 1
            45   26  29 1
            46   28  30 1
            47   28  31 1 #Down
            48   29  32 1
            49   30  33 1
            50   31  34 1
            51   32  35 1
            52   33  36 1
            53   34  37 1
            54   34  38 2
            55   51  52 1
            56   51  27 1
            57   51  53 2
            58   52  25 2
            59   52  54 1
            60   27  55 2
            61   53  56 1
            62   53  57 1
            63   25  58 1
            64   54  59 2
            65   54  60 1
            66   55  61 1
            67   56  62 1
            68   58  63 2
            69   59  64 1
            70   61  65 1
            71   63  66 1
            72   56  61 2
            73   59  63 1


entry: C09973
name: --- - Tremulacin
formula: C27H28O11
kcf:
ATOM        38
            1   C1y C     5.9227   -7.8173
            2   C1y C     5.9318   -8.6429
            3   O2a O     6.6443   -7.4018
            4   O2x O     5.2042   -7.4066
            5   C1y C     5.2160   -9.0619
            6   O7a O     6.6532   -9.0554
            7   C1y C     4.4902   -7.8225
            8   C1y C     4.4929   -8.6523
            9   O1a O     5.2188   -9.8916
            10  C1b C     3.7718   -7.4118
            11  O1a O     3.7771   -9.0713
            12  O1a O     3.0591   -7.8273
            13  C7a C     6.6567   -9.8804
            14  O7a O     5.9440  -10.2959
            15  C8y C     7.3729  -10.2899
            16  C8x C     7.3741  -11.1123
            17  C8x C     8.0903  -11.5218
            18  C8x C     8.8030  -11.1062
            19  C8x C     8.7995  -10.2813
            20  C8x C     8.0833   -9.8718
            21  C8y C     6.6453   -6.5768
            22  C8y C     7.3605   -6.1696
            23  C8x C     7.3614   -5.3446
            24  C8x C     6.6474   -4.9312
            25  C8x C     5.9325   -5.3429
            26  C8x C     5.9315   -6.1679
            27  C1b C     8.0735   -6.5846
            28  O7a O     8.7894   -6.1747
            29  C7a C     9.5024   -6.5897
            30  C1z C    10.2183   -6.1797
            31  O7a O     9.4958   -7.4125
            32  C2x C    10.9299   -6.5961
            33  C2x C    11.6458   -6.1861
            34  C1x C    11.6487   -5.3611
            35  C1x C    10.9357   -4.9461
            36  C5x C    10.2198   -5.3560
            37  O5x O     9.5064   -4.9416
            38  O1a O    10.2125   -7.0042
BOND        41
            1    17  18 2
            2    18  19 1
            3    19  20 2
            4    20  15 1
            5     7  10 1 #Up
            6     3  21 1
            7     8  11 1 #Down
            8     7   8 1
            9    10  12 1
            10    1   2 1
            11   21  22 2
            12   22  23 1
            13   23  24 2
            14   24  25 1
            15   25  26 2
            16   26  21 1
            17    6  13 1
            18   22  27 1
            19    1   3 1 #Up
            20   27  28 1
            21   13  14 2
            22   28  29 1
            23    1   4 1
            24   29  30 1
            25   13  15 1
            26   29  31 2
            27    2   5 1
            28    2   6 1 #Down
            29    4   7 1
            30    5   8 1
            31    5   9 1 #Up
            32   30  32 1
            33   32  33 2
            34   33  34 1
            35   34  35 1
            36   35  36 1
            37   36  30 1
            38   15  16 2
            39   36  37 2
            40   16  17 1
            41   30  38 1 #Either


entry: C09974
name: --- - 2,4,8-Trihydroxy-1-tetralone
formula: C10H10O4
kcf:
ATOM        14
            1   C8y C    -0.2069    0.2414
            2   C8y C    -0.2103   -0.5897
            3   C5x C     0.5138    0.6483
            4   C8y C    -0.9207    0.6517
            5   C1y C     0.5069   -1.0069
            6   C8x C    -0.9207   -1.0069
            7   C1y C     1.2310    0.2345
            8   O5x O     0.5172    1.4793
            9   C8x C    -1.6379    0.2414
            10  O1a O    -0.9207    1.4828
            11  C1x C     1.2276   -0.5931
            12  O1a O     0.5034   -1.8379
            13  C8x C    -1.6379   -0.5897
            14  O1a O     1.9517    0.6448
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Either
            12    6  13 2
            13    7  14 1 #Either
            14    7  11 1
            15    9  13 1


entry: C09975
name: --- - 2',4',6'-Trihydroxy-3'-formyldihydrochalcone
formula: C16H14O5
kcf:
ATOM        21
            1   C8y C     4.0082  -12.6998
            2   C8y C     3.2909  -13.1101
            3   C8y C     4.0082  -11.8688
            4   C5a C     4.7220  -13.1101
            5   C8y C     2.5703  -12.6998
            6   O1a O     3.2909  -13.9343
            7   C8x C     3.2909  -11.4515
            8   O1a O     4.7220  -11.4584
            9   C1b C     5.4358  -12.6998
            10  O5a O     4.7220  -13.9377
            11  C8y C     2.5703  -11.8688
            12  C4a C     1.8565  -13.1136
            13  C1b C     5.4358  -11.8757
            14  O1a O     1.8530  -11.4515
            15  O4a O     1.8599  -13.9377
            16  C8y C     6.1530  -11.4619
            17  C8x C     6.8634  -11.8757
            18  C8x C     6.1496  -10.6377
            19  C8x C     7.5772  -11.4619
            20  C8x C     6.8634  -10.2239
            21  C8x C     7.5806  -10.6377
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    9  13 1
            13   11  14 1
            14   12  15 2
            15   13  16 1
            16   16  17 2
            17   16  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21    7  11 2
            22   20  21 1


entry: C09976
name: --- - Uncinatone
formula: C20H22O4
kcf:
ATOM        24
            1   C8y C     0.0345   -0.0586
            2   C1z C    -0.6828   -0.4759
            3   C8y C     0.0414    0.7621
            4   C8y C     0.7379   -0.4793
            5   C2y C    -1.3966   -0.0552
            6   C1x C    -0.6793   -1.3000
            7   C1a C     0.0345   -0.8862
            8   C8y C     0.7552    1.1655
            9   C5x C    -0.6724    1.1793
            10  C8y C     1.4517   -0.0793
            11  O1a O     0.7276   -1.3103
            12  C2x C    -1.3931    0.7724
            13  C2y C    -2.1172   -0.4724
            14  C1x C    -1.3966   -1.7138
            15  C8y C     1.4621    0.7483
            16  O1a O     0.7655    1.9931
            17  O5x O    -0.6690    2.0069
            18  O2x O     2.2379   -0.3414
            19  C2y C    -2.1172   -1.3000
            20  C1a C    -2.8345   -0.0552
            21  C1x C     2.2517    0.9931
            22  C1y C     2.7310    0.3172
            23  C1a C    -2.8345   -1.7138
            24  C1a C     3.5621    0.3069
BOND        27
            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    4  11 1
            11    5  12 2
            12    5  13 1
            13    6  14 1
            14    8  15 2
            15    8  16 1
            16    9  17 2
            17   10  18 1
            18   13  19 2
            19   13  20 1
            20   15  21 1
            21   18  22 1
            22   19  23 1
            23   22  24 1 #Down
            24    9  12 1
            25   10  15 1
            26   14  19 1
            27   21  22 1


entry: C09977
name: --- - Vismione D
formula: C25H30O5
kcf:
ATOM        30
            1   C8y C    14.9094   -4.7011
            2   C8y C    14.9020   -5.5287
            3   C8x C    14.1942   -4.2805
            4   C1x C    15.6252   -4.2908
            5   C8y C    14.1793   -5.9390
            6   C5x C    15.6172   -5.9495
            7   C8y C    13.4818   -4.6908
            8   C1z C    16.3439   -4.7081
            9   C8y C    13.4709   -5.5184
            10  O1a O    14.1718   -6.7701
            11  C1x C    16.3399   -5.5356
            12  O5x O    15.6132   -6.7805
            13  C8x C    12.7700   -4.2702
            14  C1a C    17.0626   -5.1288
            15  O1a O    17.0631   -4.2977
            16  C8y C    12.7483   -5.9218
            17  C8y C    12.0474   -4.6701
            18  C8x C    12.0365   -5.4977
            19  O1a O    12.7340   -6.7527
            20  O2a O    11.3357   -4.2598
            21  C1b C    10.6199   -4.6666
            22  C2b C     9.9046   -4.2564
            23  C2c C     9.1854   -4.6632
            24  C1b C     8.4736   -4.2528
            25  C1a C     9.1814   -5.4942
            26  C1b C     7.7543   -4.6632
            27  C2b C     7.0425   -4.2493
            28  C2c C     6.3233   -4.6597
            29  C1a C     5.6081   -4.2459
            30  C1a C     6.3193   -5.4873
BOND        32
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    8  15 1 #Either
            15    9  16 1
            16   13  17 2
            17   16  18 2
            18   16  19 1
            19   17  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   23  25 1
            25   24  26 1
            26   26  27 1
            27   27  28 2
            28   28  29 1
            29   28  30 1
            30    7   9 2
            31    8  11 1
            32   17  18 1


entry: C09978
name: --- - Uvaretin
formula: C23H22O5
kcf:
ATOM        28
            1   C8y C     0.4103   -0.5621
            2   C8y C     0.4103    0.2655
            3   C8y C    -0.3034   -0.9759
            4   C5a C     1.1276   -0.9759
            5   C8x C    -0.3034    0.6828
            6   O2a O     1.1276    0.6828
            7   C8y C    -1.0241   -0.5621
            8   O1a O    -0.3034   -1.8035
            9   C1b C     1.8448   -0.5621
            10  O5a O     1.1276   -1.8035
            11  C8y C    -1.0241    0.2655
            12  C1a C     1.1276    1.5103
            13  C1b C    -1.7414   -0.9759
            14  C1b C     1.8448    0.2655
            15  O1a O    -1.7414    0.6828
            16  C8y C    -2.4621   -0.5655
            17  C8y C     2.5655    0.6828
            18  C8y C    -3.1793   -0.9793
            19  C8x C    -2.4621    0.2655
            20  C8x C     3.2793    0.2655
            21  C8x C     2.5586    1.5103
            22  C8x C    -3.8966   -0.5655
            23  O1a O    -3.1793   -1.8069
            24  C8x C    -3.1793    0.6793
            25  C8x C     3.9966    0.6828
            26  C8x C     3.2759    1.9241
            27  C8x C    -3.8966    0.2621
            28  C8x C     3.9966    1.5103
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 1
            9     4  10 2
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   13  16 1
            16   14  17 1
            17   16  18 1
            18   16  19 2
            19   17  20 2
            20   17  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 2
            26   22  27 1
            27   25  28 2
            28    7  11 1
            29   24  27 2
            30   26  28 1


entry: C09979
name: --- - Xanthochymol
formula: C38H50O6
kcf:
ATOM        44
            1   C1c C    15.3960  -15.9969
            2   C2c C    15.3829  -16.8218
            3   C1b C    13.9754  -15.9969
            4   C1b C    14.6857  -15.5886
            5   C1b C    16.7793  -11.8519
            6   C2b C    17.4854  -11.4387
            7   C2c C    17.4854  -10.6188
            8   C1a C    18.1986  -10.2085
            9   C1a C    16.7724  -10.2050
            10  C1z C    16.7849  -12.6687
            11  C8y C    13.9823  -13.2412
            12  C5a C    14.6926  -12.8287
            13  C2y C    15.4029  -13.2412
            14  O5a O    14.6926  -12.0078
            15  C8x C    13.2720  -12.8287
            16  C8y C    12.5616  -13.2412
            17  C8y C    12.5616  -14.0620
            18  C8x C    13.2720  -14.4703
            19  C8x C    13.9823  -14.0620
            20  O1a O    11.8513  -12.8287
            21  O1a O    11.8513  -14.4703
            22  C1z C    17.3566  -13.2412
            23  C1y C    17.3566  -14.0473
            24  C1z C    15.9788  -14.6190
            25  O5x O    16.0995  -13.5128
            26  C1x C    16.7849  -14.6190
            27  C2y C    15.4029  -14.0473
            28  C1b C    15.9753  -15.4252
            29  C5x C    15.9757  -12.6703
            30  O5x O    15.6598  -11.9124
            31  O1a O    14.7407  -14.4838
            32  C1a C    17.8934  -12.6618
            33  C1a C    18.1013  -13.2448
            34  C5x C    16.7817  -13.8078
            35  C2c C    13.2617  -15.5831
            36  C2a C    12.5464  -15.9942
            37  C1a C    13.2632  -14.7581
            38  C1a C    14.6936  -17.3060
            39  C2a C    16.1183  -17.3060
            40  C1b C    18.1063  -14.4380
            41  C2b C    18.1112  -15.1685
            42  C2c C    18.8105  -15.5719
            43  C1a C    18.8070  -16.3815
            44  C1a C    19.5063  -15.1650
BOND        46
            1    10   5 1
            2    12  14 2
            3     5   6 1
            4     6   7 2
            5    10  22 1
            6    10  29 1
            7    22  23 1
            8    34  25 2
            9    23  26 1
            10   24  27 1
            11   24  28 1
            12   28   1 1
            13   24  26 1
            14   13  27 2
            15    7   8 1
            16   13  29 1
            17    7   9 1
            18   29  30 2
            19    1   2 1 #Down
            20   27  31 1
            21   11  15 2
            22   22  32 1
            23   15  16 1
            24   22  33 1
            25   10  34 1 #Down
            26   16  17 2
            27   24  34 1 #Down
            28   17  18 1
            29    3  35 1
            30   18  19 2
            31   35  36 2
            32   19  11 1
            33   35  37 1
            34    3   4 1
            35   38   2 1
            36   16  20 1
            37    2  39 2
            38    4   1 1
            39   23  40 1 #Up
            40   17  21 1
            41   11  12 1
            42   12  13 1
            43   40  41 1
            44   41  42 2
            45   42  43 1
            46   42  44 1


entry: C09980
name: --- - Yangonin
formula: C15H14O4
kcf:
ATOM        19
            1   C8y C    17.7344  -13.8431
            2   C8x C    17.7344  -14.6672
            3   C2b C    17.0171  -13.4259
            4   O7x O    18.4482  -13.4259
            5   C8y C    18.4516  -15.0810
            6   C2b C    16.2999  -13.8362
            7   C8y C    19.1654  -13.8397
            8   C8x C    19.1689  -14.6672
            9   O2a O    18.4516  -15.9086
            10  C8y C    15.5861  -13.4190
            11  O7x O    19.8861  -13.4224
            12  C1a C    19.1723  -16.3259
            13  C8x C    15.5861  -12.5914
            14  C8x C    14.8723  -13.8362
            15  C8x C    14.8723  -12.1776
            16  C8x C    14.1551  -13.4190
            17  C8y C    14.1551  -12.5914
            18  O2a O    13.4344  -12.1776
            19  C1a C    12.7171  -12.5914
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    7  11 2
            11    9  12 1
            12   10  13 1
            13   10  14 2
            14   13  15 2
            15   14  16 1
            16   15  17 1
            17   17  18 1
            18   18  19 1
            19    7   8 1
            20   16  17 2


entry: C09981
name: --- - Zearalenone
formula: C18H22O5
kcf:
ATOM        23
            1   C8y C    14.8927  -13.0267
            2   C8y C    14.8961  -13.8543
            3   C8x C    14.1858  -12.6129
            4   C2x C    15.6099  -12.6129
            5   C8y C    14.1858  -14.2716
            6   C7x C    15.6168  -14.2681
            7   C8y C    13.4651  -13.0267
            8   C2x C    16.3272  -13.0233
            9   C8x C    13.4651  -13.8543
            10  O1a O    14.1858  -15.1026
            11  O7x O    16.3341  -13.8509
            12  O7x O    15.6203  -15.0991
            13  O1a O    12.7478  -12.6129
            14  C1x C    17.0409  -12.6060
            15  C1y C    17.0547  -14.2578
            16  C1x C    17.7547  -13.0095
            17  C1x C    17.7685  -13.8371
            18  C1a C    17.0616  -15.0888
            19  C1x C    18.4651  -12.5888
            20  C1x C    18.4892  -14.2405
            21  C5x C    19.1892  -12.9888
            22  C1x C    19.1996  -13.8164
            23  O5x O    19.9030  -12.5681
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14   11  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 1 #Down
            18   16  19 1
            19   17  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 2
            23    7   9 2
            24   21  22 1


entry: C09982
name: --- - Acerosin
formula: C18H16O8
comment: Flavone
kcf:
ATOM        26
            1   C8y C     3.9880  -11.8818
            2   C8y C     3.9846  -12.7094
            3   C8y C     3.2708  -11.4645
            4   O2x O     4.7087  -11.4680
            5   C8y C     3.2708  -13.1232
            6   C8y C     4.7018  -13.1266
            7   C8y C     2.5501  -11.8818
            8   O2a O     3.2708  -10.6335
            9   C8y C     5.4191  -11.8852
            10  C8y C     2.5501  -12.7094
            11  O1a O     3.2742  -13.9508
            12  C8x C     5.4156  -12.7163
            13  O5x O     4.6984  -13.9542
            14  O1a O     1.8329  -11.4645
            15  C8y C     6.1398  -11.4749
            16  O2a O     1.8329  -13.1232
            17  C8x C     6.8570  -11.8956
            18  C8x C     6.1432  -10.6473
            19  C1a C     1.1122  -12.7094
            20  C8y C     7.5777  -11.4818
            21  C8x C     6.8639  -10.2370
            22  C8y C     7.5811  -10.6508
            23  O1a O     8.2915  -11.9025
            24  O2a O     8.2984  -10.2439
            25  C1a C     9.0156  -10.6576
            26  C1a C     2.5564  -10.2210
BOND        28
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15   10  16 1
            16   15  17 2
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 2
            21   20  22 2
            22   20  23 1
            23   22  24 1
            24   24  25 1
            25    7  10 1
            26    9  12 2
            27   21  22 1
            28    8  26 1


entry: C09983
name: --- - Zinnolide
formula: C15H18O5
kcf:
ATOM        20
            1   C8y C     1.2207   -0.3345
            2   C8y C     1.2207    0.4931
            3   C8y C     0.5069   -0.7483
            4   C1y C     2.0103   -0.5897
            5   C8x C     0.5069    0.9103
            6   C7x C     2.0103    0.7517
            7   C8y C    -0.2138   -0.3345
            8   O2a O     0.5103   -1.5759
            9   O7x O     2.5000    0.0828
            10  O1a O     2.2724   -1.3793
            11  C8y C    -0.2138    0.4931
            12  O7x O     2.2690    1.5414
            13  C1a C    -0.9310   -0.7483
            14  C1a C     1.2241   -1.9931
            15  O2a O    -0.9276    0.9103
            16  C1b C    -1.6448    0.5000
            17  C2b C    -2.3621    0.9172
            18  C2c C    -3.0793    0.5034
            19  C1a C    -3.7966    0.9207
            20  C1a C    -3.0793   -0.3276
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     3   8 1
            8     4   9 1
            9     4  10 1 #Either
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14   11  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   18  20 1
            20    6   9 1
            21    7  11 1


entry: C09984
name: --- - N-(p-Hydroxyphenethyl)actinidine
formula: C18H22NO
kcf:
ATOM        20
            1   C8y C    -0.2931    0.7069
            2   C8y C    -1.0103    1.1241
            3   C8x C    -0.2931   -0.1172
            4   C1y C     0.3207    1.2552
            5   C8y C    -1.7310    0.7138
            6   C1x C    -0.8345    1.9345
            7   N5y N    -1.0138   -0.5310 #+
            8   C1x C    -0.0103    2.0172
            9   C1a C     1.0345    0.8448
            10  C8x C    -1.7310   -0.1172
            11  C1a C    -2.4517    1.1241
            12  C1b C    -1.0138   -1.3586
            13  C1b C    -0.3000   -1.7724
            14  C8y C     0.4138   -1.3586
            15  C8x C     0.4207   -0.5345
            16  C8x C     1.1207   -1.7724
            17  C8x C     1.1345   -0.1276
            18  C8x C     1.8379   -1.3690
            19  C8y C     1.8448   -0.5448
            20  O1a O     2.5552   -0.1207
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     4   8 1
            8     4   9 1 #Down
            9     5  10 2
            10    5  11 1
            11    7  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 2
            15   14  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    6   8 1
            21    7  10 1
            22   18  19 1


entry: C09985
name: --- - Jasminine
formula: C11H12N2O3
kcf:
ATOM        16
            1   C8y C    -0.0862    0.0000
            2   C8y C    -0.0897   -0.8276
            3   C8y C     0.6345    0.4138
            4   C1x C    -0.8034    0.4172
            5   C1y C    -0.8034   -1.2414
            6   C8x C     0.6276   -1.2448
            7   C8x C     1.3483   -0.0069
            8   C7a C     0.6276    1.2448
            9   C5x C    -1.5241    0.0000
            10  N1x N    -1.5241   -0.8276
            11  C1a C    -0.8103   -2.0724
            12  N5x N     1.3448   -0.8345
            13  O7a O     1.3414    1.6586
            14  O7a O    -0.0931    1.6586
            15  O5x O    -2.2448    0.4172
            16  C1a C     2.0552    1.2483
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 2
            12    8  13 1
            13    8  14 2
            14    9  15 2
            15   13  16 1
            16    7  12 1
            17    9  10 1


entry: C09986
name: --- - Rhexifoline
formula: C11H13NO3
kcf:
ATOM        15
            1   C8y C     9.7916   -9.7818
            2   C8y C    10.5071  -10.1978
            3   C8y C     9.0712  -10.1926
            4   C1y C     9.9622   -8.9730
            5   C1y C    11.1202   -9.6432
            6   C8x C    10.5039  -11.0215
            7   C8x C     9.0721  -11.0229
            8   C7a C     8.3557   -9.7767
            9   C1x C    10.7878   -8.8851
            10  C1a C    11.8328  -10.0575
            11  N5x N     9.7894  -11.4359
            12  O7a O     8.3588   -8.9528
            13  O7a O     7.6293  -10.1839
            14  C1a C     7.6459   -8.5375
            15  O1a O     9.4093   -8.3607
BOND        16
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     5  10 1 #Up
            9     6  11 2
            10    8  12 1
            11    8  13 2
            12    5   9 1
            13    7  11 1
            14   12  14 1
            15    1   2 2
            16    4  15 1 #Down


entry: C09987
name: --- - beta-Skytanthine
formula: C11H21N
kcf:
ATOM        12
            1   C1y C    -0.2552    0.4931
            2   C1y C     0.4517    0.0793
            3   C1y C    -0.9759    0.0793
            4   C1x C    -0.0793    1.3000
            5   C1x C     0.4552   -0.7483
            6   C1y C     1.0690    0.6241
            7   C1x C    -0.9759   -0.7483
            8   C1a C    -1.6965    0.4931
            9   C1x C     0.7414    1.3793
            10  N1y N    -0.2552   -1.1655
            11  C1a C     1.7862    0.2103
            12  C1a C    -0.2621   -1.9931
BOND        13
            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 #Up
            8     4   9 1
            9     5  10 1
            10    6  11 1 #Down
            11   10  12 1
            12    6   9 1
            13    7  10 1


entry: C09988
name: --- - Tecomine
formula: C11H17NO
kcf:
ATOM        13
            1   C2y C    -0.3448    0.3345
            2   C1y C     0.3621   -0.0862
            3   C2x C    -0.1690    1.1379
            4   C1y C    -1.0655   -0.0828
            5   C1y C     0.9828    0.4621
            6   C1x C     0.3690   -0.9138
            7   C5x C     0.6517    1.2172
            8   C1x C    -1.0655   -0.9138
            9   C1a C    -1.7862    0.3345
            10  C1a C     1.6965    0.0448
            11  N1y N    -0.3448   -1.3241
            12  O5x O     1.0621    1.9414
            13  C1a C    -0.3517   -2.1552
BOND        14
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1 #Up
            10    6  11 1
            11    7  12 2
            12   11  13 1
            13    5   7 1
            14    8  11 1


entry: C09989
name: --- - Tecostanine
formula: C11H21NO
kcf:
ATOM        13
            1   C1y C    -0.0724    0.4862
            2   C1y C     0.6414    0.0724
            3   C1y C    -0.7897    0.0759
            4   C1x C     0.1069    1.2931
            5   C1y C     1.2586    0.6172
            6   C1x C     0.6448   -0.7552
            7   C1x C    -0.7897   -0.7552
            8   C1b C    -1.5138    0.4862
            9   C1x C     0.9276    1.3724
            10  C1a C     1.9724    0.2034
            11  N1y N    -0.0724   -1.1724
            12  O1a O    -2.2345    0.0793
            13  C1a C    -0.0793   -2.0000
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12   11  13 1
            13    5   9 1
            14    7  11 1


entry: C09990
name: --- - Thiobinupharidine
formula: C30H42N2O2S
kcf:
ATOM        35
            1   C1z C     5.7803  -11.4980
            2   C1x C     5.3320  -12.1911
            3   C1x C     6.4975  -11.9117
            4   C1x C     5.2596  -10.8635
            5   C1x C     5.7803  -10.6738
            6   C1z C     4.5355  -11.9807
            7   N1y N     7.2113  -11.4980
            8   S2x S     4.4906  -11.1566
            9   C1x C     6.5010  -10.2566
            10  C1x C     3.8217  -11.5600
            11  C1x C     4.5355  -12.8049
            12  C1y C     7.9251  -11.9117
            13  C1y C     7.2113  -10.6738
            14  N1y N     3.1044  -11.9704
            15  C1x C     3.8148  -13.2186
            16  C8y C     7.9217  -12.7393
            17  C1x C     8.6424  -11.5014
            18  C1y C     7.9286  -10.2600
            19  C1y C     2.3872  -11.5566
            20  C1y C     3.1010  -12.7980
            21  C8x C     8.5941  -13.2324
            22  C8x C     7.2527  -13.2290
            23  C1x C     8.6424  -10.6773
            24  C1a C     7.9217   -9.4290
            25  C8y C     2.3941  -10.7324
            26  C1x C     1.6699  -11.9704
            27  C1y C     2.3872  -13.2152
            28  C8x C     8.3355  -14.0186
            29  O2x O     7.5079  -14.0186
            30  C8x C     1.7217  -10.2428
            31  C8x C     3.0596  -10.2428
            32  C1x C     1.6699  -12.7980
            33  C1a C     2.3803  -14.0462
            34  C8x C     1.9768   -9.4531
            35  O2x O     2.8079   -9.4531
BOND        41
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     6   2 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   14  20 1
            20   16  21 1
            21   16  22 2
            22   17  23 1
            23   18  24 1 #Down
            24   19  25 1
            25   19  26 1
            26   20  27 1
            27   21  28 2
            28   22  29 1
            29   25  30 1
            30   25  31 2
            31   26  32 1
            32   27  33 1 #Down
            33   30  34 2
            34   31  35 1
            35    6   8 1 #Down
            36    9  13 1
            37   15  20 1
            38   18  23 1
            39   27  32 1
            40   28  29 1
            41   34  35 1


entry: C09991
name: --- - Valerianine
formula: C11H15NO
kcf:
ATOM        13
            1   C8y C     9.5966   -8.8736
            2   C8y C    10.3069   -9.2943
            3   C8y C     8.8759   -9.2908
            4   C1x C     9.7724   -8.0667
            5   C1y C    10.9207   -8.7460
            6   C8x C    10.3103  -10.1184
            7   C8x C     8.8759  -10.1184
            8   C1b C     8.1552   -8.8736
            9   C1x C    10.5931   -7.9874
            10  C1a C    11.6379   -9.1598
            11  N5x N     9.5966  -10.5322
            12  O2a O     8.1561   -8.0486
            13  C1a C     8.8711   -7.6369
BOND        14
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     5  10 1 #Down
            9     6  11 2
            10    5   9 1
            11    7  11 1
            12    8  12 1
            13    1   2 2
            14   12  13 1


entry: C09992
name: --- - Wilfordine
formula: C43H49NO19
kcf:
ATOM        63
            1   C1z C     6.8626   -6.3040
            2   C1z C     6.8661   -5.5055
            3   C1y C     7.5509   -6.7033
            4   O2x O     6.8995   -7.0647
            5   C1z C     6.1779   -6.6999
            6   C1y C     7.5578   -5.1096
            7   C1y C     6.1779   -5.1061
            8   C1b C     6.7043   -4.7311
            9   C1y C     8.2467   -6.3074
            10  O7a O     7.9880   -8.4906
            11  C1z C     8.2378   -7.0750
            12  C1y C     5.4820   -6.3040
            13  C1a C     6.1710   -7.4949
            14  C1y C     8.2501   -5.5124
            15  O7a O     7.5509   -4.3145
            16  C1y C     5.4820   -5.5055
            17  O7a O     6.1710   -4.3111
            18  O7a O     7.0418   -4.0186
            19  C7a C     8.7797   -8.4906
            20  C1x C     8.5469   -7.6389
            21  C1a C     9.0329   -7.0750
            22  O7x O     4.7973   -6.6930
            23  O7a O     8.9280   -5.1061
            24  C7a C     8.2363   -3.9117
            25  O7a O     4.8007   -5.1061
            26  C7a C     5.4786   -3.9117
            27  C7a C     6.8418   -3.2520
            28  C1a C     9.1790   -9.1789
            29  O7a O     9.1755   -7.7990
            30  O7x O     7.1585   -8.2866
            31  C7x C     3.9987   -6.6895
            32  C7a C     9.6197   -5.4986
            33  C1a C     8.9246   -4.3042
            34  O7a O     8.2329   -3.1167
            35  C7a C     4.1125   -5.5020
            36  C1a C     4.7973   -4.3111
            37  O7a O     5.4751   -3.1167
            38  C1a C     7.2467   -2.5686
            39  O7a O     6.0668   -3.0853
            40  C7x C     6.3668   -8.2866
            41  C1z C     3.9953   -7.4846
            42  O7x O     3.2001   -6.7311
            43  O7a O    10.3086   -5.0958
            44  C1a C     9.6163   -6.2936
            45  C8y C     3.4201   -5.1027
            46  O7a O     4.1091   -6.1721
            47  C8y C     5.9710   -8.9721
            48  O7x O     5.7611   -7.7608
            49  C1x C     4.7904   -7.4846
            50  C8y C     5.1793   -8.9721
            51  C8x C     6.3703   -9.6603
            52  C1x C     4.7870   -8.2866
            53  N5x N     4.7870   -9.6603
            54  C8x C     5.9710  -10.3451
            55  C8x C     5.1793  -10.3451
            56  C8x C     3.4248   -4.3090
            57  C8x C     2.7365   -3.9098
            58  C8x C     2.0472   -4.3072
            59  C8x C     2.0461   -5.1038
            60  C8x C     2.7344   -5.5031
            61  C1a C     3.9875   -8.3000
            62  O1a O     3.1750   -7.4833
            63  O1a O     5.4625   -7.1000
BOND        68
            1     3   9 1
            2     3  10 1 #Up
            3    11   4 1
            4     5  12 1
            5     5  13 1 #Down
            6     6  14 1
            7     6  15 1 #Down
            8     7  16 1
            9     7  17 1 #Down
            10    8  18 1
            11   10  19 1
            12   11  20 1 #Down
            13   11  21 1 #Up
            14   12  22 1 #Up
            15   14  23 1 #Down
            16   15  24 1
            17   16  25 1 #Down
            18   17  26 1
            19   18  27 1
            20   19  28 1
            21   19  29 2
            22   20  30 1
            23   22  31 1
            24   23  32 1
            25   24  33 1
            26   24  34 2
            27   25  35 1
            28   26  36 1
            29   26  37 2
            30   27  38 1
            31   27  39 2
            32   30  40 1
            33   31  41 1
            34   31  42 2
            35   32  43 2
            36   32  44 1
            37   35  45 1
            38   35  46 2
            39   40  47 1
            40   40  48 2
            41   41  49 1
            42   47  50 2
            43   47  51 1
            44   49  52 1
            45   50  53 1
            46   51  54 2
            47   53  55 2
            48    9  11 1 #Up
            49    9  14 1
            50   12  16 1
            51   50  52 1
            52   54  55 1
            53    1   2 1
            54    1   3 1
            55    1   4 1 #Up
            56    1   5 1
            57   45  56 2
            58   56  57 1
            59   57  58 2
            60   58  59 1
            61   59  60 2
            62   60  45 1
            63    2   6 1
            64   41  61 1 #Either
            65    2   7 1
            66   41  62 1
            67    2   8 1 #Down
            68    5  63 1 #Up


entry: C09993
name: --- - Adouetine X
formula: C28H44N4O4
kcf:
ATOM        36
            1   C1y C     6.9326   -5.1687
            2   C5x C     7.6159   -4.7729
            3   N1x N     8.3034   -5.1646
            4   C1y C     8.9867   -4.7688
            5   C1c C     9.6701   -5.1604
            6   C1b C    10.3576   -4.7646
            7   C1a C    11.0409   -5.1562
            8   C8x C     6.6375   -2.2792
            9   C8y C     6.6375   -3.0708
            10  C8x C     7.3245   -3.4667
            11  C8x C     8.0074   -3.0708
            12  C8y C     8.0074   -2.2792
            13  C8x C     7.3245   -1.8833
            14  C2x C     8.6971   -1.8839
            15  O2x O     5.9482   -3.4670
            16  C1y C     5.9487   -4.6004
            17  C2x C     9.6780   -2.4511
            18  N1x N     9.6764   -3.5868
            19  C5x C     8.9849   -3.9729
            20  O5x O     7.6141   -3.9771
            21  O5x O     8.3021   -3.5729
            22  C1a C     9.6719   -5.9521
            23  N1b N     6.9332   -5.9604
            24  C1c C     5.2610   -4.9987
            25  C1a C     4.5752   -4.6036
            26  C1a C     5.2620   -5.7945
            27  C5a C     7.6188   -6.3557
            28  C1c C     7.6195   -7.1515
            29  O5a O     8.3080   -5.9593
            30  N1c N     6.9345   -7.5479
            31  C1b C     8.3093   -7.5468
            32  C1c C     8.3099   -8.3385
            33  C1a C     8.9955   -8.7337
            34  C1a C     7.6208   -8.7349
            35  C1a C     6.2489   -7.1526
            36  C1a C     6.9351   -8.3396
BOND        37
            1     5   6 1
            2     4  19 1
            3    19  18 1
            4     1   2 1
            5     2  20 2
            6     8   9 1
            7    19  21 2
            8     9  10 2
            9     5  22 1 #Down
            10   10  11 1
            11    1  23 1 #Up
            12   11  12 2
            13   16  24 1 #Down
            14   12  13 1
            15   24  25 1
            16   13   8 2
            17   24  26 1
            18    6   7 1
            19   12  14 1
            20   23  27 1
            21    3   4 1
            22   27  28 1
            23    9  15 1
            24   27  29 2
            25   28  30 1 #Down
            26   15  16 1
            27   28  31 1
            28    4   5 1
            29   31  32 1
            30   14  17 2
            31   32  33 1
            32   16   1 1
            33   32  34 1
            34    2   3 1
            35   30  35 1
            36   17  18 1
            37   30  36 1


entry: C09994
name: --- - Adouetine Y
formula: C34H40N4O4
kcf:
ATOM        42
            1   C1y C    10.3159   -6.9479
            2   C5x C    11.0034   -6.5479
            3   N1x N    11.6909   -6.9437
            4   C1y C    12.3826   -6.5437
            5   C1c C    13.0701   -6.9396
            6   C1b C    13.7576   -6.5396
            7   C1a C    14.4451   -6.9354
            8   C8x C    10.0208   -4.0417
            9   C8y C    10.0208   -4.8417
            10  C8x C    10.7120   -5.2375
            11  C8x C    11.3990   -4.8417
            12  C8y C    11.3990   -4.0417
            13  C8x C    10.7120   -3.6458
            14  C2x C    12.0888   -3.6464
            15  O2x O     9.3316   -5.2379
            16  C1y C     9.3320   -6.3795
            17  C2x C    13.0780   -4.2177
            18  N1x N    13.0764   -5.3577
            19  C5x C    12.3808   -5.7479
            20  O5x O    11.0016   -5.7521
            21  O5x O    11.6896   -5.3437
            22  C1a C    13.0719   -7.7354
            23  N1b N    10.3165   -7.7438
            24  C8y C     8.6360   -6.7778
            25  C5a C    11.0063   -8.1432
            26  C1c C    11.0070   -8.9390
            27  O5a O    11.6955   -7.7426
            28  N1c N    10.3178   -9.3354
            29  C1b C    11.6968   -9.3343
            30  C8y C    11.6974  -10.1343
            31  C1a C     9.6280   -8.9401
            32  C1a C    10.3185  -10.1354
            33  C8x C     7.9475   -6.3802
            34  C8x C     7.2556   -6.7785
            35  C8x C     7.2566   -7.5775
            36  C8x C     7.9494   -7.9783
            37  C8x C     8.6412   -7.5759
            38  C8x C    11.0083  -10.5286
            39  C8x C    11.0090  -11.3286
            40  C8x C    11.6988  -11.7239
            41  C8x C    12.3921  -11.3275
            42  C8x C    12.3914  -10.5275
BOND        45
            1     9  10 2
            2     5  22 1 #Down
            3    10  11 1
            4     1  23 1 #Up
            5    11  12 2
            6    16  24 1
            7    12  13 1
            8    13   8 2
            9    23  25 1
            10    6   7 1
            11   25  26 1
            12   12  14 1
            13   25  27 2
            14    3   4 1
            15   26  28 1 #Down
            16    9  15 1
            17   26  29 1
            18   29  30 1
            19   15  16 1
            20   28  31 1
            21    4   5 1
            22   28  32 1
            23   14  17 2
            24   16   1 1
            25    2   3 1
            26   17  18 1
            27    5   6 1
            28   24  33 2
            29   33  34 1
            30   34  35 2
            31   35  36 1
            32   36  37 2
            33   37  24 1
            34    4  19 1
            35   19  18 1
            36    1   2 1
            37    2  20 2
            38    8   9 1
            39   19  21 2
            40   30  38 2
            41   38  39 1
            42   39  40 2
            43   40  41 1
            44   41  42 2
            45   42  30 1


entry: C09995
name: --- - Adouetine Z
formula: C42H45N5O5
kcf:
ATOM        52
            1   C1y C    10.9784   -7.3021
            2   C5x C    11.6742   -6.8979
            3   N1x N    12.3701   -7.2979
            4   C1y C    13.0659   -6.8938
            5   C1b C    13.7576   -7.2937
            6   C8y C    14.4534   -6.8896
            7   C8x C    10.6792   -4.3667
            8   C8y C    10.6792   -5.1750
            9   C8x C    11.3787   -5.5750
            10  C8x C    12.0740   -5.1750
            11  C8y C    12.0740   -4.3667
            12  C8x C    11.3787   -3.9667
            13  C2x C    12.7680   -3.9672
            14  O2x O     9.9816   -5.5754
            15  C1y C     9.9820   -6.7254
            16  C2x C    13.7655   -4.5427
            17  N1x N    13.7639   -5.6952
            18  C5x C    13.0641   -6.0896
            19  O5x O    11.6724   -6.0938
            20  O5x O    12.3687   -5.6854
            21  N1b N    10.9790   -8.1062
            22  C8y C     9.2860   -7.1320
            23  C5a C    11.6772   -8.5057
            24  C1y C    11.6778   -9.3140
            25  O5a O    12.3747   -8.1051
            26  C8x C     8.5891   -6.7260
            27  C8x C     7.8890   -7.1326
            28  C8x C     7.8899   -7.9400
            29  C8x C     8.5910   -8.3408
            30  C8x C     9.2912   -7.9384
            31  C8x C    15.1464   -7.2941
            32  C8x C    15.8422   -6.8900
            33  C8x C    15.8412   -6.0875
            34  C8x C    15.1444   -5.6851
            35  C8x C    14.4486   -6.0892
            36  N1y N    11.0317   -9.7864
            37  C1x C    11.2831  -10.5501
            38  C1x C    12.0872  -10.5493
            39  C1x C    12.3332   -9.7854
            40  C5a C    10.3333   -9.3792
            41  C1c C     9.6375   -9.7833
            42  C1b C     8.9458   -9.3792
            43  C8y C     8.2500   -9.7833
            44  O5a O    10.3340   -8.5750
            45  N1c N     9.6375  -10.5875
            46  C1a C     8.9439  -10.9875
            47  C1a C    10.3353  -10.9875
            48  C8x C     7.5532   -9.3809
            49  C8x C     6.8573   -9.7850
            50  C8x C     6.8583  -10.5875
            51  C8x C     7.5552  -10.9858
            52  C8x C     8.2510  -10.5858
BOND        57
            1     3   4 1
            2     8  14 1
            3    14  15 1
            4    22  26 2
            5    26  27 1
            6    27  28 2
            7    28  29 1
            8    29  30 2
            9    30  22 1
            10    4   5 1 #Down
            11   13  16 2
            12   15   1 1
            13    2   3 1
            14   16  17 1
            15    5   6 1
            16    6  31 2
            17   31  32 1
            18   32  33 2
            19   33  34 1
            20   34  35 2
            21   35   6 1
            22    4  18 1
            23   18  17 1
            24    7   8 1
            25    2  19 2
            26   24  36 1
            27   36  37 1
            28   37  38 1
            29   38  39 1
            30   39  24 1
            31    8   9 2
            32   36  40 1
            33   18  20 2
            34   40  41 1
            35    9  10 1
            36   41  42 1
            37    1  21 1 #Up
            38   42  43 1
            39   10  11 2
            40   40  44 2
            41   15  22 1
            42   41  45 1 #Up
            43   11  12 1
            44   45  46 1
            45   21  23 1
            46   45  47 1
            47   12   7 2
            48   24  23 1 #Down
            49    1   2 1
            50   23  25 2
            51   11  13 1
            52   43  48 2
            53   48  49 1
            54   49  50 2
            55   50  51 1
            56   51  52 2
            57   52  43 1


entry: C09996
name: --- - Americine
formula: C31H39N5O4
kcf:
ATOM        40
            1   C1y C     9.7576   -7.2396
            2   C5x C    10.4451   -6.8396
            3   N1x N    11.1326   -7.2354
            4   C1y C    11.8201   -6.8354
            5   C8x C     9.4583   -4.3375
            6   C8y C     9.4583   -5.1333
            7   C8x C    10.1495   -5.5292
            8   C8x C    10.8365   -5.1333
            9   C8y C    10.8365   -4.3375
            10  C8x C    10.1495   -3.9375
            11  C2x C    11.5263   -3.9380
            12  O2x O     8.7691   -5.5295
            13  C1y C     8.7695   -6.6712
            14  C2x C    12.5155   -4.5094
            15  N1x N    12.5139   -5.6493
            16  C5x C    11.8183   -6.0396
            17  O5x O    10.4433   -6.0438
            18  O5x O    11.1312   -5.6396
            19  N1b N     9.7582   -8.0354
            20  C1c C     8.0777   -7.0695
            21  C1a C     7.3878   -6.6745
            22  C1a C     8.0786   -7.8695
            23  C5a C    10.4480   -8.4349
            24  C1c C    10.4487   -9.2307
            25  O5a O    11.1372   -8.0343
            26  N1b N     9.7553   -9.6312
            27  C1c C    11.1384   -9.6301
            28  C1a C    11.1391  -10.4260
            29  C1a C     9.0655   -9.2318
            30  C1a C    11.8276   -9.2296
            31  C8y C    13.1949   -6.8294
            32  C1b C    12.4708   -7.1599
            33  N4x N    14.1476   -5.9604
            34  C8x C    13.3557   -6.0457
            35  C8y C    14.4740   -6.6885
            36  C8y C    13.8818   -7.2181
            37  C8x C    14.0477   -7.9992
            38  C8x C    14.8059   -8.2424
            39  C8x C    15.3981   -7.7129
            40  C8x C    15.2322   -6.9359
BOND        43
            1     1  19 1 #Up
            2     9  10 1
            3    13  20 1 #Down
            4    10   5 2
            5    20  21 1
            6     2   3 1
            7    20  22 1
            8     9  11 1
            9    19  23 1
            10    1   2 1
            11   23  24 1
            12    6  12 1
            13   23  25 2
            14    3   4 1
            15   24  26 1 #Down
            16   12  13 1
            17   24  27 1
            18    4  32 1 #Down
            19   27  28 1
            20   11  14 2
            21   26  29 1
            22   13   1 1
            23   27  30 1
            24   14  15 1
            25   32  31 1
            26    5   6 1
            27    4  16 1
            28   31  36 1
            29   35  33 1
            30   33  34 1
            31   34  31 2
            32   16  15 1
            33    6   7 2
            34    2  17 2
            35    7   8 1
            36   16  18 2
            37    8   9 2
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   38  39 1
            42   39  40 2
            43   40  35 1


entry: C09997
name: --- - Amphibine A
formula: C33H43N5O4
kcf:
ATOM        42
            1   C1a C     7.6699   -5.7917
            2   C1y C     9.3451   -5.1646
            3   C5x C    10.0326   -4.7646
            4   N1x N    10.7201   -5.1604
            5   C1y C    11.4117   -4.7604
            6   C1c C    12.0992   -5.1562
            7   C1b C    12.7867   -4.7562
            8   C1a C    13.4742   -5.1521
            9   C8x C     9.0500   -2.2583
            10  C8y C     9.0500   -3.0583
            11  C8x C     9.7412   -3.4542
            12  C8x C    10.4282   -3.0583
            13  C8y C    10.4282   -2.2583
            14  C8x C     9.7412   -1.8625
            15  C2x C    11.1180   -1.8630
            16  O2x O     8.3566   -3.4545
            17  C1y C     8.3570   -4.5962
            18  C2x C    12.1071   -2.4344
            19  N1x N    12.1055   -3.5743
            20  C5x C    11.4099   -3.9646
            21  O5x O    10.0308   -3.9688
            22  O5x O    10.7187   -3.5604
            23  C1a C    12.1010   -5.9521
            24  N1b N     9.3457   -5.9604
            25  C1c C     7.6652   -4.9945
            26  C1a C     6.9752   -4.5995
            27  C5a C    10.0355   -6.3599
            28  C1c C    10.0362   -7.1557
            29  O5a O    10.7247   -5.9593
            30  N1c N     9.3470   -7.5521
            31  C1b C    10.7259   -7.5510
            32  C8y C    10.7266   -8.3510
            33  C1a C     8.6572   -7.1568
            34  C1a C     9.3476   -8.3521
            35  C8x C    10.0854   -8.8216
            36  N4x N    10.3326   -9.5769
            37  C8y C    11.3744   -8.8206
            38  C8y C    11.1253   -9.5738
            39  C8x C    11.6574  -10.1671
            40  C8x C    12.4346  -10.0073
            41  C8x C    12.6837   -9.2499
            42  C8x C    12.1516   -8.6565
BOND        45
            1     9  10 1
            2    20  22 2
            3    10  11 2
            4     6  23 1 #Down
            5    11  12 1
            6     2  24 1 #Up
            7    12  13 2
            8    17  25 1 #Down
            9    13  14 1
            10   25  26 1
            11   25   1 1
            12   14   9 2
            13    7   8 1
            14   24  27 1
            15   13  15 1
            16   27  28 1
            17    4   5 1
            18   27  29 2
            19   10  16 1
            20   28  30 1 #Down
            21   28  31 1
            22   16  17 1
            23   31  32 1
            24    5   6 1
            25   30  33 1
            26   15  18 2
            27   30  34 1
            28   17   2 1
            29    3   4 1
            30   32  35 2
            31   35  36 1
            32   36  38 1
            33   37  32 1
            34   18  19 1
            35    6   7 1
            36    5  20 1
            37   20  19 1
            38    2   3 1
            39    3  21 2
            40   37  38 2
            41   38  39 1
            42   39  40 2
            43   40  41 1
            44   41  42 2
            45   42  37 1


entry: C09998
name: --- - Amphibine B
formula: C39H47N5O5
kcf:
ATOM        49
            1   C5a C     7.9240  -11.7238
            2   C1c C     7.9246  -12.5321
            3   O5a O     8.6214  -11.3191
            4   N1b N     7.2743  -13.0087
            5   C5a C     6.5718  -12.6014
            6   C1c C     5.8718  -13.0056
            7   C1b C     5.1760  -12.6014
            8   C8y C     4.4760  -13.0056
            9   O5a O     6.5725  -11.7931
            10  N1c N     5.8718  -13.8139
            11  C1a C     5.1740  -14.2181
            12  C1a C     6.5738  -14.2181
            13  C8x C     3.7791  -12.6032
            14  C8x C     3.0791  -13.0073
            15  C8x C     3.0801  -13.8139
            16  C8x C     3.7811  -14.2164
            17  C8x C     4.4769  -13.8122
            18  C1c C     8.6176  -12.9348
            19  C1b C     9.3176  -12.5306
            20  C1a C    10.0135  -12.9348
            21  C1a C     8.6176  -13.7431
            22  C5x C     8.2617   -9.9313
            23  N1x N     8.9576  -10.3313
            24  C1y C     9.6576   -9.9271
            25  C1b C    10.3576  -10.3271
            26  C8y C    11.0534   -9.9229
            27  C8x C     7.2625   -7.3875
            28  C8y C     7.2625   -8.1958
            29  C8x C     7.9620   -8.6000
            30  C8x C     8.6615   -8.1958
            31  C8y C     8.6615   -7.3875
            32  C8x C     7.9620   -6.9833
            33  C2x C     9.3638   -6.9839
            34  O2x O     6.5607   -8.6004
            35  C2x C    10.3655   -7.5636
            36  N1x N    10.3639   -8.7243
            37  C5x C     9.6558   -9.1188
            38  O5x O     8.2599   -9.1229
            39  O5x O     8.9562   -8.7104
            40  C8x C    11.7505  -10.3275
            41  C8x C    12.4505   -9.9233
            42  C8x C    12.4496   -9.1167
            43  C8x C    11.7486   -8.7142
            44  C8x C    11.0486   -9.1184
            45  C1y C     7.5558  -10.3336
            46  C1y C     6.8633   -9.9266
            47  C1x C     6.2615  -10.4602
            48  C1x C     6.5829  -11.2006
            49  N1y N     7.3841  -11.1198
BOND        53
            1     6   7 1
            2    25  26 1
            3     2   4 1 #Down
            4     7   8 1
            5     8  13 2
            6    13  14 1
            7    14  15 2
            8    27  28 1
            9    28  29 2
            10   29  30 1
            11   30  31 2
            12   31  32 1
            13   32  27 2
            14   15  16 1
            15   31  33 1
            16   16  17 2
            17   28  34 1
            18   17   8 1
            19   33  35 2
            20    5   9 2
            21   35  36 1
            22    2  18 1
            23   24  37 1
            24   37  36 1
            25    4   5 1
            26   22  38 2
            27   18  19 1
            28   37  39 2
            29    6  10 1 #Up
            30   19  20 1
            31    1   3 2
            32   18  21 1 #Down
            33   10  11 1
            34   26  40 2
            35   40  41 1
            36   41  42 2
            37   42  43 1
            38   43  44 2
            39   44  26 1
            40   45  22 1
            41    5   6 1
            42   22  23 1
            43   10  12 1
            44   23  24 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  45 1
            50   34  46 1
            51   49   1 1
            52    1   2 1
            53   24  25 1 #Down


entry: C09999
name: --- - Aralionine A
formula: C34H38N4O5
kcf:
ATOM        43
            1   C1y C     4.2201   -8.5312
            2   C5x C     4.9076   -8.1312
            3   N1x N     5.5951   -8.5271
            4   C1y C     6.2867   -8.1271
            5   C5a C     6.9742   -8.5229
            6   C8y C     7.6617   -8.1229
            7   C8x C     3.9250   -5.6292
            8   C8y C     3.9250   -6.4250
            9   C8x C     4.6162   -6.8208
            10  C8x C     5.3032   -6.4250
            11  C8y C     5.3032   -5.6292
            12  C8x C     4.6162   -5.2292
            13  C2x C     5.9930   -5.2297
            14  O2x O     3.2316   -6.8212
            15  C1y C     3.2320   -7.9629
            16  C2x C     6.9821   -5.8011
            17  N1x N     6.9805   -6.9410
            18  C5x C     6.2849   -7.3313
            19  O5x O     4.9058   -7.3354
            20  O5x O     5.5937   -6.9312
            21  N1b N     4.2207   -9.3271
            22  C8y C     2.5402   -8.3612
            23  C5a C     4.9105   -9.7265
            24  O5a O     5.5997   -9.3260
            25  C8x C     1.8516   -7.9635
            26  C8x C     1.1598   -8.3618
            27  C8x C     1.1608   -9.1650
            28  C8x C     1.8535   -9.5617
            29  C8x C     2.5453   -9.1634
            30  C8x C     8.3464   -8.5233
            31  C8x C     9.0339   -8.1233
            32  C8x C     9.0329   -7.3292
            33  C8x C     8.3444   -6.9351
            34  C8x C     7.6569   -7.3309
            35  C1c C     4.9112  -10.5224
            36  N1c N     4.2220  -10.9229
            37  C1c C     5.6009  -10.9218
            38  C1b C     6.2943  -10.5212
            39  C1a C     6.9841  -10.9207
            40  C1a C     4.2226  -11.7187
            41  C1a C     3.5322  -10.5235
            42  O5a O     6.9761   -9.3187
            43  C1a C     5.6016  -11.7176
BOND        46
            1    10  11 2
            2    15  22 1
            3    11  12 1
            4    21  23 1
            5    12   7 2
            6    23  24 2
            7     1   2 1
            8    11  13 1
            9     3   4 1
            10    8  14 1
            11   22  25 2
            12   25  26 1
            13   26  27 2
            14   27  28 1
            15   28  29 2
            16   29  22 1
            17   14  15 1
            18    4   5 1 #Down
            19   13  16 2
            20   15   1 1
            21    2   3 1
            22   16  17 1
            23    6  30 2
            24   30  31 1
            25   31  32 2
            26   32  33 1
            27   33  34 2
            28   34   6 1
            29    5   6 1
            30   23  35 1
            31    4  18 1
            32   35  36 1 #Down
            33   18  17 1
            34   35  37 1
            35    7   8 1
            36   37  38 1
            37    2  19 2
            38   38  39 1
            39    8   9 2
            40   36  40 1
            41   18  20 2
            42   36  41 1
            43    9  10 1
            44    5  42 2
            45    1  21 1 #Up
            46   37  43 1 #Down


entry: C10000
name: --- - Canthiumine
formula: C33H36N4O4
kcf:
ATOM        41
            1   C1y C     7.4201   -9.4729
            2   C5x C     8.1076   -9.0771
            3   C8x C     7.1208   -6.5708
            4   C8y C     7.1208   -7.3667
            5   C8x C     7.8120   -7.7667
            6   C8x C     8.4990   -7.3667
            7   C8y C     8.4990   -6.5708
            8   C8x C     7.8120   -6.1708
            9   C2x C     9.1930   -6.1714
            10  O2x O     6.4316   -7.7670
            11  C1y C     6.4320   -8.9045
            12  C2x C    10.1780   -6.7427
            13  N1x N    10.1764   -7.8868
            14  C5x C     9.4808   -8.2729
            15  O5x O     8.1058   -8.2771
            16  O5x O     8.7937   -7.8729
            17  N1b N     7.4207  -10.3812
            18  C8y C     5.7402   -9.3070
            19  C5a C     8.1105  -10.7807
            20  C1c C     8.1112  -11.5765
            21  N1c N     7.4220  -11.9771
            22  C1b C     8.8009  -11.9760
            23  C8y C     8.8016  -12.7718
            24  C1a C     6.7322  -11.5776
            25  C1a C     7.4226  -12.7729
            26  C8x C     5.0516   -8.9052
            27  C8x C     4.3598   -9.3076
            28  C8x C     4.3608  -10.1067
            29  C8x C     5.0535  -10.5033
            30  C8x C     5.7453  -10.1050
            31  C8x C     8.1125  -13.1703
            32  C8x C     8.1131  -13.9661
            33  C8x C     8.8029  -14.3656
            34  C8x C     9.4921  -13.9650
            35  C8x C     9.4914  -13.1692
            36  C1y C     9.4826   -9.0729
            37  N1y N     8.7936   -9.4717
            38  C1x C     8.9640  -10.2541
            39  C1x C     9.7566  -10.3333
            40  C1x C    10.0775   -9.6027
            41  O5a O     8.6747  -10.4593
BOND        45
            1     4  10 1
            2    20  21 1 #Down
            3     2  37 1
            4    20  22 1
            5    10  11 1
            6    22  23 1
            7     3   4 1
            8    21  24 1
            9     9  12 2
            10   21  25 1
            11   11   1 1
            12    4   5 2
            13   12  13 1
            14    5   6 1
            15   36  14 1
            16   18  26 2
            17   26  27 1
            18   27  28 2
            19   28  29 1
            20   29  30 2
            21   30  18 1
            22   14  13 1
            23    6   7 2
            24    2  15 2
            25    7   8 1
            26   14  16 2
            27    8   3 2
            28   23  31 2
            29   31  32 1
            30   32  33 2
            31   33  34 1
            32   34  35 2
            33   35  23 1
            34    1  17 1 #Up
            35   11  18 1
            36    7   9 1
            37   17  19 1
            38   36  37 1
            39   37  38 1
            40   38  39 1
            41   39  40 1
            42   40  36 1
            43    1   2 1
            44   19  41 2
            45   19  20 1


entry: C10001
name: --- - Ceanothine B
formula: C29H36N4O4
kcf:
ATOM        37
            1   C1y C    14.4492  -15.3771
            2   C5x C    15.1367  -14.9812
            3   N1x N    15.8201  -15.3729
            4   C1y C    16.5034  -14.9770
            5   C1b C    17.1909  -15.3687
            6   C8y C    17.8742  -14.9729
            7   C8x C    14.1542  -12.4875
            8   C8y C    14.1542  -13.2791
            9   C8x C    14.8412  -13.6750
            10  C8x C    15.5282  -13.2791
            11  C8y C    15.5282  -12.4875
            12  C8x C    14.8412  -12.0916
            13  C2x C    16.2138  -12.0922
            14  O2x O    13.4691  -13.6753
            15  C1y C    13.4695  -14.8128
            16  C2x C    17.1988  -12.6594
            17  N1x N    17.1972  -13.7951
            18  C5x C    16.5016  -14.1854
            19  O5x O    15.1349  -14.1896
            20  O5x O    15.8187  -13.7812
            21  N1b N    14.4499  -16.1687
            22  C1c C    12.7777  -15.2111
            23  C5a C    15.1397  -16.5640
            24  C1y C    15.1403  -17.3598
            25  O5a O    15.8247  -16.1676
            26  C8x C    18.5547  -15.3691
            27  C8x C    19.2422  -14.9733
            28  C8x C    19.2412  -14.1833
            29  C8x C    18.5527  -13.7850
            30  C8x C    17.8694  -14.1850
            31  N1y N    14.5025  -17.8239
            32  C1x C    14.7456  -18.5792
            33  C1x C    15.5414  -18.5784
            34  C1x C    15.7832  -17.8228
            35  C1a C    13.8125  -17.4250
            36  C1a C    12.0919  -14.8161
            37  C1a C    12.7786  -16.0028
BOND        40
            1     7   8 1
            2     2  19 2
            3     8   9 2
            4    18  20 2
            5     9  10 1
            6     1  21 1 #Up
            7    10  11 2
            8    15  22 1 #Down
            9    11  12 1
            10   21  23 1
            11   12   7 2
            12   24  23 1 #Down
            13    1   2 1
            14   23  25 2
            15   11  13 1
            16    3   4 1
            17    8  14 1
            18   14  15 1
            19    6  26 2
            20   26  27 1
            21   27  28 2
            22   28  29 1
            23   29  30 2
            24   30   6 1
            25    4   5 1 #Down
            26   13  16 2
            27   15   1 1
            28    2   3 1
            29   24  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  24 1
            34   16  17 1
            35   31  35 1
            36    5   6 1
            37   22  36 1
            38    4  18 1
            39   22  37 1
            40   18  17 1


entry: C10002
name: --- - Crenatine A
formula: C34H40N4O4
kcf:
ATOM        42
            1   C1y C     8.2242   -6.7104
            2   C5x C     8.9117   -6.3104
            3   N1x N     9.5992   -6.7063
            4   C1y C    10.2909   -6.3063
            5   C1b C    10.9784   -6.7021
            6   C8y C    11.6659   -6.3021
            7   C8x C     7.9292   -3.8042
            8   C8y C     7.9292   -4.6042
            9   C8x C     8.6204   -5.0000
            10  C8x C     9.3074   -4.6042
            11  C8y C     9.3074   -3.8042
            12  C8x C     8.6204   -3.4083
            13  C2x C     9.9971   -3.4089
            14  O2x O     7.2357   -5.0004
            15  C1y C     7.2362   -6.1379
            16  C2x C    10.9863   -3.9802
            17  N1x N    10.9847   -5.1202
            18  C5x C    10.2891   -5.5104
            19  O5x O     8.9099   -5.5146
            20  O5x O     9.5979   -5.1062
            21  N1b N     8.2249   -7.5062
            22  C8y C     6.5444   -6.5403
            23  C5a C     8.9147   -7.9057
            24  O5a O     9.6038   -7.5051
            25  C8x C     5.8558   -6.1385
            26  C8x C     5.1640   -6.5410
            27  C8x C     5.1649   -7.3400
            28  C8x C     5.8577   -7.7408
            29  C8x C     6.5495   -7.3384
            30  C8x C    12.3505   -6.7025
            31  C8x C    13.0380   -6.3025
            32  C8x C    13.0371   -5.5083
            33  C8x C    12.3486   -5.1101
            34  C8x C    11.6611   -5.5101
            35  C1c C     8.9153   -8.7015
            36  N1c N     8.2262   -9.0979
            37  C1b C     9.6051   -9.0968
            38  C1a C     8.2268   -9.8979
            39  C1a C     7.5364   -8.7026
            40  C1c C     9.6058   -9.8968
            41  C1a C     8.9166  -10.2932
            42  C1a C    10.2997  -10.2921
BOND        45
            1     1  21 1 #Up
            2    10  11 2
            3    15  22 1
            4    11  12 1
            5    21  23 1
            6    12   7 2
            7    23  24 2
            8     1   2 1
            9    11  13 1
            10    3   4 1
            11    8  14 1
            12   22  25 2
            13   25  26 1
            14   26  27 2
            15   27  28 1
            16   28  29 2
            17   29  22 1
            18   14  15 1
            19    4   5 1 #Down
            20   13  16 2
            21   15   1 1
            22    2   3 1
            23   16  17 1
            24    6  30 2
            25   30  31 1
            26   31  32 2
            27   32  33 1
            28   33  34 2
            29   34   6 1
            30    5   6 1
            31   23  35 1
            32    4  18 1
            33   35  36 1 #Down
            34   18  17 1
            35   35  37 1
            36    7   8 1
            37   36  38 1
            38    2  19 2
            39   36  39 1
            40    8   9 2
            41   37  40 1
            42   18  20 2
            43   40  41 1
            44    9  10 1
            45   40  42 1


entry: C10003
name: --- - Frangulanine
formula: C28H44N4O4
kcf:
ATOM        36
            1   C1y C     7.1909  -10.1146
            2   C5x C     7.8701   -9.7188
            3   N1x N     8.5534  -10.1104
            4   C1y C     9.2326   -9.7146
            5   C1b C     9.9159  -10.1062
            6   C1c C    10.5992   -9.7104
            7   C8x C     6.8958   -7.2375
            8   C8y C     6.8958   -8.0250
            9   C8x C     7.5787   -8.4208
            10  C8x C     8.2615   -8.0250
            11  C8y C     8.2615   -7.2375
            12  C8x C     7.5787   -6.8417
            13  C2x C     8.9471   -6.8422
            14  O2x O     6.2107   -8.4212
            15  C1y C     6.2112   -9.5504
            16  C2x C     9.9238   -7.4094
            17  N1x N     9.9222   -8.5410
            18  C5x C     9.2308   -8.9271
            19  O5x O     7.8683   -8.9313
            20  O5x O     8.5521   -8.5271
            21  N1b N     7.1915  -10.9021
            22  C1c C     5.5277   -9.9487
            23  C5a C     7.8730  -11.2974
            24  O5a O     8.5580  -10.9010
            25  C1a C     5.5328  -10.7384
            26  C1a C    10.5944   -8.9267
            27  C1c C     7.8737  -12.0849
            28  N1c N     7.1928  -12.4812
            29  C1c C     8.5593  -12.4801
            30  C1b C     9.2401  -12.0837
            31  C1a C     9.9257  -12.4790
            32  C1a C     7.1935  -13.2687
            33  C1a C     6.5072  -12.0860
            34  C1a C     8.5599  -13.2676
            35  C1a C    11.2818  -10.1037
            36  C1a C     4.8409   -9.5555
BOND        37
            1     4  18 1
            2    18  17 1
            3     7   8 1
            4     2  19 2
            5     8   9 2
            6    18  20 2
            7     9  10 1
            8     1  21 1 #Up
            9    10  11 2
            10   15  22 1 #Down
            11   11  12 1
            12   21  23 1
            13   12   7 2
            14   23  24 2
            15    1   2 1
            16   25  22 1
            17   11  13 1
            18   26   6 1
            19    3   4 1
            20   23  27 1
            21    8  14 1
            22   27  28 1 #Down
            23   27  29 1
            24   14  15 1
            25   29  30 1
            26    4   5 1 #Down
            27   30  31 1
            28   13  16 2
            29   28  32 1
            30   15   1 1
            31   28  33 1
            32    2   3 1
            33   29  34 1 #Down
            34   16  17 1
            35    6  35 1
            36    5   6 1
            37   22  36 1


entry: C10004
name: --- - Hymenocardine
formula: C37H50N6O6
kcf:
ATOM        49
            1   C1y C    15.2159  -14.4438
            2   C5x C    15.9076  -14.0437
            3   N1x N    16.5992  -14.4396
            4   C1y C    17.2909  -14.0396
            5   C8x C    14.9167  -11.5250
            6   C8y C    14.9167  -12.3250
            7   C8x C    15.6120  -12.7250
            8   C8x C    16.3032  -12.3250
            9   C8y C    16.3032  -11.5250
            10  C8x C    15.6120  -11.1250
            11  C5x C    16.9971  -11.1255
            12  O2x O    14.2232  -12.7254
            13  C1z C    14.2237  -13.8712
            14  C1x C    17.9905  -11.7011
            15  N1x N    17.9889  -12.8452
            16  C5x C    17.2891  -13.2354
            17  O5x O    15.9058  -13.2396
            18  O5x O    16.5979  -12.8312
            19  N1b N    15.2165  -15.2437
            20  C5a C    15.9105  -15.6432
            21  C1c C    15.9112  -16.4432
            22  O5a O    16.6038  -15.2426
            23  N1b N    15.2178  -16.8437
            24  C1c C    16.6051  -16.8426
            25  C1a C    16.6058  -17.6426
            26  C5a C    14.5239  -16.4443
            27  C1a C    17.2984  -16.4421
            28  C8y C    18.6740  -14.0336
            29  C1b C    17.9417  -14.3599
            30  N4x N    19.6309  -13.1562
            31  C8x C    18.8349  -13.2415
            32  C8y C    19.9573  -13.8885
            33  C8y C    19.3651  -14.4222
            34  C8x C    19.5311  -15.2033
            35  C8x C    20.2893  -15.4507
            36  C8x C    20.8856  -14.9170
            37  C8x C    20.7197  -14.1359
            38  C1a C    13.4208  -13.8750
            39  C1a C    13.8208  -14.5625
            40  O5x O    16.9980  -10.3255
            41  C1c C    13.8292  -16.8417
            42  C1c C    13.1375  -16.4417
            43  C1b C    12.4458  -16.8417
            44  O5a O    14.5250  -15.6443
            45  N1c N    13.8273  -17.6417
            46  C1a C    13.1327  -18.0442
            47  C1a C    14.5199  -18.0475
            48  C1a C    13.1375  -15.6417
            49  C1a C    11.7517  -16.4425
BOND        52
            1     1   2 1
            2    21  24 1
            3     6  12 1
            4    24  25 1
            5     3   4 1
            6    23  26 1
            7    12  13 1
            8    24  27 1
            9     4  29 1 #Down
            10   11  14 1
            11   29  28 1
            12   13   1 1
            13   28  33 1
            14   32  30 1
            15   30  31 1
            16   31  28 2
            17   14  15 1
            18    5   6 1
            19    4  16 1
            20   16  15 1
            21    6   7 2
            22    2  17 2
            23   32  33 2
            24   33  34 1
            25   34  35 2
            26   35  36 1
            27   36  37 2
            28   37  32 1
            29    7   8 1
            30   13  38 1
            31   16  18 2
            32   13  39 1
            33    8   9 2
            34   11  40 2
            35    1  19 1 #Up
            36   26  41 1
            37    9  10 1
            38   41  42 1
            39   19  20 1
            40   42  43 1
            41   10   5 2
            42   26  44 2
            43   20  21 1
            44   41  45 1 #Up
            45    2   3 1
            46   45  46 1
            47   20  22 2
            48   45  47 1
            49    9  11 1
            50   42  48 1 #Down
            51   21  23 1 #Down
            52   43  49 1


entry: C10005
name: --- - Integerrenine
formula: C31H42N4O4
kcf:
ATOM        39
            1   C1y C     8.6951   -4.4479
            2   C5x C     9.3784   -4.0521
            3   N1x N    10.0617   -4.4437
            4   C1y C    10.7492   -4.0479
            5   C1b C    11.4326   -4.4396
            6   C1c C    12.1159   -4.0437
            7   C8x C     8.3958   -1.5583
            8   C8y C     8.3958   -2.3500
            9   C8x C     9.0870   -2.7458
            10  C8x C     9.7699   -2.3500
            11  C8y C     9.7699   -1.5583
            12  C8x C     9.0870   -1.1625
            13  C2x C    10.4555   -1.1630
            14  O2x O     7.7107   -2.7462
            15  C1y C     7.7112   -3.8795
            16  C2x C    11.4405   -1.7302
            17  N1x N    11.4389   -2.8660
            18  C5x C    10.7474   -3.2521
            19  O5x O     9.3766   -3.2563
            20  O5x O    10.0604   -2.8521
            21  N1b N     8.6957   -5.2396
            22  C8y C     7.0235   -4.2820
            23  C5a C     9.3813   -5.6349
            24  O5a O    10.0663   -5.2385
            25  C8x C     6.3350   -3.8802
            26  C8x C     5.6473   -4.2826
            27  C8x C     5.6483   -5.0775
            28  C8x C     6.3369   -5.4742
            29  C8x C     7.0287   -5.0759
            30  C1a C    12.1111   -3.2517
            31  C1c C     9.3820   -6.4307
            32  N1c N     8.6970   -6.8271
            33  C1c C    10.0676   -6.8260
            34  C1b C    10.7568   -6.4296
            35  C1a C    11.4424   -6.8249
            36  C1a C     8.6976   -7.6187
            37  C1a C     8.0072   -6.4318
            38  C1a C    10.0683   -7.6176
            39  C1a C    12.8068   -4.4371
BOND        41
            1     8   9 2
            2    18  20 2
            3     9  10 1
            4     1  21 1 #Up
            5    10  11 2
            6    15  22 1
            7    11  12 1
            8    21  23 1
            9    12   7 2
            10   23  24 2
            11    1   2 1
            12   11  13 1
            13    3   4 1
            14    8  14 1
            15   22  25 2
            16   25  26 1
            17   26  27 2
            18   27  28 1
            19   28  29 2
            20   29  22 1
            21   14  15 1
            22    4   5 1 #Down
            23   30   6 1
            24   13  16 2
            25   23  31 1
            26   15   1 1
            27   31  32 1 #Down
            28    2   3 1
            29   31  33 1
            30   16  17 1
            31   33  34 1
            32    5   6 1
            33   34  35 1
            34    4  18 1
            35   32  36 1
            36   18  17 1
            37   32  37 1
            38    7   8 1
            39   33  38 1 #Up
            40    2  19 2
            41    6  39 1


entry: C10006
name: --- - Integerressine
formula: C33H38N4O4
kcf:
ATOM        41
            1   C1y C    11.5576   -9.3646
            2   C5x C    12.2451   -8.9646
            3   N1x N    12.9326   -9.3604
            4   C1y C    13.6242   -8.9604
            5   C1b C    14.3117   -9.3562
            6   C8y C    14.9992   -8.9563
            7   C8x C    11.2625   -6.4625
            8   C8y C    11.2625   -7.2583
            9   C8x C    11.9537   -7.6542
            10  C8x C    12.6407   -7.2583
            11  C8y C    12.6407   -6.4625
            12  C8x C    11.9537   -6.0625
            13  C2x C    13.3305   -6.0630
            14  O2x O    10.5691   -7.6545
            15  C1y C    10.5695   -8.7962
            16  C2x C    14.3196   -6.6344
            17  N1x N    14.3180   -7.7743
            18  C5x C    13.6224   -8.1646
            19  O5x O    12.2433   -8.1688
            20  O5x O    12.9312   -7.7646
            21  N1b N    11.5582  -10.1604
            22  C8y C     9.8777   -9.1945
            23  C5a C    12.2480  -10.5599
            24  O5a O    12.9372  -10.1593
            25  C8x C     9.1891   -8.7968
            26  C8x C     8.4973   -9.1951
            27  C8x C     8.4983   -9.9984
            28  C8x C     9.1910  -10.3950
            29  C8x C     9.8828   -9.9967
            30  C8x C    15.6839   -9.3566
            31  C8x C    16.3714   -8.9566
            32  C8x C    16.3704   -8.1625
            33  C8x C    15.6819   -7.7684
            34  C8x C    14.9944   -8.1642
            35  C1c C    12.2487  -11.3557
            36  N1c N    11.5595  -11.7562
            37  C1c C    12.9384  -11.7551
            38  C1a C    11.5601  -12.5521
            39  C1a C    10.8697  -11.3568
            40  C1a C    12.9391  -12.5510
            41  C1a C    13.6318  -11.3546
BOND        44
            1     9  10 1
            2     1  21 1 #Up
            3    10  11 2
            4    15  22 1
            5    11  12 1
            6    21  23 1
            7    12   7 2
            8    23  24 2
            9     1   2 1
            10   11  13 1
            11    3   4 1
            12    8  14 1
            13   22  25 2
            14   25  26 1
            15   26  27 2
            16   27  28 1
            17   28  29 2
            18   29  22 1
            19   14  15 1
            20    4   5 1 #Down
            21   13  16 2
            22   15   1 1
            23    2   3 1
            24   16  17 1
            25    6  30 2
            26   30  31 1
            27   31  32 2
            28   32  33 1
            29   33  34 2
            30   34   6 1
            31    5   6 1
            32   23  35 1
            33    4  18 1
            34   35  36 1 #Down
            35   18  17 1
            36   35  37 1
            37    7   8 1
            38   36  38 1
            39    2  19 2
            40   36  39 1
            41    8   9 2
            42   37  40 1
            43   18  20 2
            44   37  41 1


entry: C10007
name: --- - Integerrine
formula: C35H39N5O4
kcf:
ATOM        44
            1   C1y C    11.0951   -8.0312
            2   C5x C    11.7867   -7.6312
            3   N1x N    12.4784   -8.0271
            4   C1y C    13.1701   -7.6271
            5   C8x C    10.7958   -5.1125
            6   C8y C    10.7958   -5.9167
            7   C8x C    11.4912   -6.3167
            8   C8x C    12.1824   -5.9167
            9   C8y C    12.1824   -5.1125
            10  C8x C    11.4912   -4.7125
            11  C2x C    12.8763   -4.7130
            12  O2x O    10.1024   -6.3170
            13  C1y C    10.1028   -7.4587
            14  C2x C    13.8696   -5.2886
            15  N1x N    13.8680   -6.4368
            16  C5x C    13.1683   -6.8271
            17  O5x O    11.7849   -6.8313
            18  O5x O    12.4771   -6.4229
            19  N1b N    11.0957   -8.8313
            20  C8y C     9.4110   -7.8612
            21  C5a C    11.7897   -9.2307
            22  C1c C    11.7903  -10.0349
            23  O5a O    12.4830   -8.8301
            24  N1c N    11.0970  -10.4354
            25  C1c C    12.4843  -10.4343
            26  C1a C    12.4849  -11.2343
            27  C1a C    10.4030  -10.0360
            28  C1a C    13.1776  -10.0337
            29  C8y C    14.5532   -7.6211
            30  C1b C    13.8208   -7.9516
            31  N4x N    15.5101   -6.7437
            32  C8x C    14.7140   -6.8332
            33  C8y C    15.8407   -7.4760
            34  C8y C    15.2443   -8.0097
            35  C8x C    15.4102   -8.7950
            36  C8x C    16.1684   -9.0424
            37  C8x C    16.7648   -8.5087
            38  C8x C    16.5989   -7.7234
            39  C1a C    11.0976  -11.2354
            40  C8x C     8.7183   -7.4593
            41  C8x C     8.0223   -7.8618
            42  C8x C     8.0233   -8.6692
            43  C8x C     8.7202   -9.0700
            44  C8x C     9.4162   -8.6675
BOND        48
            1     2   3 1
            2    21  22 1
            3     9  11 1
            4    21  23 2
            5     1   2 1
            6    22  24 1 #Down
            7     6  12 1
            8    22  25 1
            9     3   4 1
            10   25  26 1
            11   12  13 1
            12   24  27 1
            13    4  30 1 #Down
            14   25  28 1
            15   11  14 2
            16   13   1 1
            17   30  29 1
            18   14  15 1
            19   29  34 1
            20   33  31 1
            21   31  32 1
            22   32  29 2
            23    5   6 1
            24    4  16 1
            25   16  15 1
            26    6   7 2
            27    2  17 2
            28    7   8 1
            29   33  34 2
            30   34  35 1
            31   35  36 2
            32   36  37 1
            33   37  38 2
            34   38  33 1
            35   16  18 2
            36   24  39 1
            37    8   9 2
            38    1  19 1 #Up
            39    9  10 1
            40   13  20 1
            41   10   5 2
            42   20  40 2
            43   40  41 1
            44   41  42 2
            45   42  43 1
            46   43  44 2
            47   44  20 1
            48   19  21 1


entry: C10008
name: --- - Lasiodine A
formula: C39H49N5O7
kcf:
ATOM        51
            1   C2c C     4.5867   -4.1438
            2   C5a C     5.2867   -3.7354
            3   N1b N     5.9909   -4.1396
            4   C1c C     6.6909   -3.7313
            5   C1c C     7.3951   -4.1354
            6   C8y C     8.0951   -3.7271
            7   C8x C     4.2833   -1.1792
            8   C8y C     4.2833   -1.9917
            9   C8x C     4.9870   -2.4000
            10  C8x C     5.6907   -1.9917
            11  C8y C     5.6907   -1.1792
            12  C8x C     4.9870   -0.7750
            13  C2b C     6.3930   -0.7755
            14  O1a O     3.5816   -2.4004
            15  C2b C     7.4030   -1.3594
            16  N1b N     7.4014   -2.5202
            17  C5a C     6.6891   -2.9188
            18  O5a O     5.2849   -2.9229
            19  O5a O     5.9896   -2.5062
            20  O7a O     7.3969   -4.9479
            21  N1b N     4.5874   -4.9563
            22  C5a C     5.2897   -5.3599
            23  C1c C     5.2903   -6.1724
            24  O5a O     5.9955   -4.9551
            25  N1c N     4.5887   -6.5813
            26  C1c C     5.9968   -6.5801
            27  C8y C     5.9974   -7.3926
            28  C1a C     3.8822   -6.1735
            29  C1a C     4.5893   -7.3938
            30  C8x C     5.2917   -7.7953
            31  C8x C     5.2923   -8.6078
            32  C8x C     5.9988   -9.0156
            33  C8x C     6.7004   -8.6067
            34  C8x C     6.6998   -7.7942
            35  C2c C     3.8802   -3.7361
            36  C1a C     3.8794   -2.9236
            37  C1a C     3.1786   -4.1452
            38  C8x C     8.7964   -4.1358
            39  C8x C     9.4964   -3.7275
            40  C8x C     9.4954   -2.9167
            41  C8x C     8.7944   -2.5101
            42  C8x C     8.0902   -2.9184
            43  C7a C     8.0998   -5.3505
            44  C1c C     8.1016   -6.1630
            45  O7a O     8.8050   -4.9448
            46  N1b N     7.4005   -6.5729
            47  C1c C     8.8086   -6.5698
            48  C1a C     8.8104   -7.3823
            49  C1a C     9.5097   -6.1599
            50  O1a O     6.6935   -6.1661
            51  C1a C     7.4023   -7.3854
BOND        53
            1    23  25 1 #Up
            2     3   4 1
            3    23  26 1
            4     8  14 1
            5    26  27 1
            6    25  28 1
            7    13  15 2
            8    25  29 1
            9     4   5 1
            10   15  16 1
            11    2   3 1
            12    4  17 1
            13   17  16 1
            14   27  30 2
            15   30  31 1
            16   31  32 2
            17   32  33 1
            18   33  34 2
            19   34  27 1
            20    5   6 1
            21    1  35 2
            22    2  18 2
            23   35  36 1
            24    7   8 1
            25   35  37 1
            26   17  19 2
            27    8   9 2
            28    5  20 1 #Down
            29    9  10 1
            30    1  21 1
            31    6  38 2
            32   38  39 1
            33   39  40 2
            34   40  41 1
            35   41  42 2
            36   42   6 1
            37   10  11 2
            38   20  43 1
            39   43  44 1
            40   11  12 1
            41   43  45 2
            42   21  22 1
            43   44  46 1 #Down
            44   12   7 2
            45   44  47 1
            46   22  23 1
            47   47  48 1
            48    1   2 1
            49   47  49 1
            50   26  50 1 #Up
            51   22  24 2
            52   11  13 1
            53   46  51 1


entry: C10009
name: --- - Mucronine A
formula: C29H38N4O4
kcf:
ATOM        37
            1   N1x N     9.1736   -7.9388
            2   C1y C     7.0600  -10.8251
            3   C5x C     8.4764   -8.3408
            4   C5x C     7.7759  -10.3391
            5   C1c C     7.0600  -11.6250
            6   C1y C     8.4730   -9.1372
            7   N1x N     7.7759   -9.5392
            8   O5x O     8.4730  -10.7370
            9   C1b C     6.3671  -12.0194
            10  C1a C     7.7538  -12.0263
            11  C1b C     9.1667   -9.5385
            12  C1a C     6.3671  -12.8268
            13  C8y C     9.8596   -9.1372
            14  C8x C    10.5568   -9.5392
            15  C8x C     9.8596   -8.3339
            16  C8x C    11.2504   -9.1372
            17  C8x C    10.5533   -7.9319
            18  C8x C    11.2504   -8.3339
            19  C8y C     6.7932   -7.8165
            20  C8y C     6.0927   -7.4111
            21  C8x C     7.4835   -7.4111
            22  C1x C     6.7829   -8.6198
            23  C8x C     6.0927   -6.6078
            24  O2a O     5.3956   -7.0132
            25  C8y C     7.4870   -6.6078
            26  C1y C     6.0038   -8.8294
            27  C8x C     6.7932   -6.2099
            28  C1a C     4.7060   -7.4111
            29  C2x C     8.1875   -6.2099
            30  C5x C     5.7906   -9.6052
            31  N1c N     5.3031   -8.4240
            32  C2x C     9.1811   -6.7897
            33  N1x N     6.1094  -10.3738
            34  O5x O     5.0115   -9.8113
            35  C1a C     4.6060   -8.8260
            36  C1a C     5.2997   -7.6207
            37  O5x O     7.7799   -7.9344
BOND        39
            1     1   3 1
            2     2   4 1
            3     2   5 1
            4     3   6 1
            5     4   7 1
            6     4   8 2
            7     5   9 1
            8     5  10 1 #Up
            9     6  11 1 #Down
            10    9  12 1
            11   11  13 1
            12   13  14 2
            13   13  15 1
            14   14  16 1
            15   15  17 2
            16   16  18 2
            17    6   7 1
            18   19  20 2
            19   19  21 1
            20   19  22 1
            21   20  23 1
            22   20  24 1
            23   21  25 2
            24   22  26 1
            25   23  27 2
            26   24  28 1
            27   25  29 1
            28   26  30 1
            29   26  31 1 #Up
            30   29  32 2
            31   30  33 1
            32   30  34 2
            33   31  35 1
            34   31  36 1
            35   25  27 1
            36   32   1 1
            37   17  18 1
            38    3  37 2
            39    2  33 1


entry: C10010
name: --- - Mucronine B
formula: C28H36N4O4
kcf:
ATOM        36
            1   N1x N     6.5819   -5.0721
            2   C1y C     4.4809   -7.9418
            3   C5x C     5.8889   -5.4699
            4   C5x C     5.1926   -7.4599
            5   C1c C     4.4809   -8.7375
            6   C1y C     5.8855   -6.2622
            7   N1x N     5.1926   -6.6600
            8   O5x O     5.8855   -7.8578
            9   C1b C     3.7879   -9.1319
            10  C1a C     5.1704   -9.1388
            11  C1b C     6.5750   -6.6635
            12  C1a C     3.7879   -9.9352
            13  C8y C     7.2680   -6.2622
            14  C8x C     7.9609   -6.6600
            15  C8x C     7.2680   -5.4630
            16  C8x C     8.6504   -6.2622
            17  C8x C     7.9574   -5.0652
            18  C8x C     8.6504   -5.4630
            19  C8y C     4.2141   -4.9499
            20  C8y C     3.5177   -4.5486
            21  C8x C     4.9001   -4.5486
            22  C1x C     4.2038   -5.7490
            23  C8x C     3.5177   -3.7495
            24  O2a O     2.8247   -4.1507
            25  C8y C     4.9036   -3.7495
            26  C1y C     3.4288   -5.9586
            27  C8x C     4.2141   -3.3474
            28  C1a C     2.1352   -4.5486
            29  C2x C     5.6000   -3.3474
            30  C5x C     3.2156   -6.7302
            31  N1b N     2.7323   -5.5531
            32  C2x C     6.5895   -3.9272
            33  N1x N     3.5344   -7.4947
            34  O5x O     2.4406   -6.9322
            35  C1a C     2.0393   -5.9552
            36  O5x O     5.1966   -5.0678
BOND        38
            1    17  18 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Down
            11    9  12 1
            12   11  13 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   19  20 2
            19   19  21 1
            20   19  22 1
            21   20  23 1
            22   20  24 1
            23   21  25 2
            24   22  26 1
            25   23  27 2
            26   24  28 1
            27   25  29 1
            28   26  30 1
            29   26  31 1 #Up
            30   29  32 2
            31   30  33 1
            32   30  34 2
            33   31  35 1
            34   25  27 1
            35   32   1 1
            36    6   7 1
            37    3  36 2
            38    2  33 1


entry: C10011
name: --- - Nummularine F
formula: C23H32N4O4
kcf:
ATOM        31
            1   C5a C     5.8198  -11.5405
            2   C1b C     5.8204  -12.3405
            3   O5a O     6.5131  -11.1399
            4   N1c N     5.1785  -12.8129
            5   C5x C     6.1576   -9.7646
            6   N1x N     6.8492  -10.1604
            7   C1y C     7.5409   -9.7604
            8   C1c C     8.2326  -10.1562
            9   C1b C     8.9242   -9.7562
            10  C8x C     5.1667   -7.2458
            11  C8y C     5.1667   -8.0458
            12  C8x C     5.8620   -8.4458
            13  C8x C     6.5532   -8.0458
            14  C8y C     6.5532   -7.2458
            15  C8x C     5.8620   -6.8458
            16  C2x C     7.2471   -6.8464
            17  O2x O     4.4732   -8.4462
            18  C2x C     8.2405   -7.4219
            19  N1x N     8.2389   -8.5702
            20  C5x C     7.5391   -8.9604
            21  O5x O     6.1558   -8.9646
            22  O5x O     6.8479   -8.5562
            23  C1y C     5.4599  -10.1628
            24  C1y C     4.7716   -9.7599
            25  C1x C     4.1740  -10.2894
            26  C1x C     4.4954  -11.0214
            27  N1y N     5.2883  -10.9406
            28  C1a C     8.2344  -10.9562
            29  C1a C     9.6184  -10.1554
            30  C1a C     5.1841  -13.6081
            31  C1a C     4.4445  -12.4881
BOND        33
            1     8   9 1
            2    16  18 2
            3    23   5 1
            4    18  19 1
            5     1   3 2
            6     7  20 1
            7    20  19 1
            8     5   6 1
            9     5  21 2
            10    1   2 1
            11   20  22 2
            12    6   7 1
            13    2   4 1
            14   10  11 1
            15   11  12 2
            16   12  13 1
            17   23  24 1
            18   24  25 1
            19   25  26 1
            20   26  27 1
            21   27  23 1
            22   17  24 1
            23   27   1 1
            24   13  14 2
            25   14  15 1
            26   15  10 2
            27    7   8 1
            28    8  28 1 #Down
            29   14  16 1
            30    9  29 1
            31    4  30 1
            32   11  17 1
            33    4  31 1


entry: C10012
name: --- - Pandamine
formula: C31H44N4O5
kcf:
ATOM        40
            1   C1y C     8.2117   -7.4729
            2   C5x C     8.8992   -7.0729
            3   N1x N     9.5867   -7.4688
            4   C1y C    10.2784   -7.0687
            5   C1b C    10.9659   -7.4646
            6   C8y C    11.6534   -7.0646
            7   C8x C     7.9167   -4.5667
            8   C8y C     7.9167   -5.3625
            9   C8x C     8.6079   -5.7625
            10  C8x C     9.2949   -5.3625
            11  C8y C     9.2949   -4.5667
            12  C8x C     8.6079   -4.1708
            13  C1y C     9.9846   -4.1714
            14  O2x O     7.2232   -5.7629
            15  C1y C     7.2237   -6.9004
            16  C1x C    10.9738   -4.7427
            17  N1x N    10.9722   -5.8827
            18  C5x C    10.2766   -6.2729
            19  O5x O     8.8974   -6.2771
            20  O5x O     9.5854   -5.8687
            21  N1b N     8.2124   -8.2688
            22  C1c C     6.5319   -7.3028
            23  C5a C     8.9022   -8.6640
            24  O5a O     9.5913   -8.2676
            25  C8x C    12.3380   -7.4650
            26  C8x C    13.0255   -7.0650
            27  C8x C    13.0246   -6.2708
            28  C8x C    12.3361   -5.8726
            29  C8x C    11.6486   -6.2726
            30  C1c C     8.9028   -9.4640
            31  N1c N     8.2137   -9.8604
            32  C1c C     9.5926   -9.8593
            33  C1b C    10.2818   -9.4629
            34  C1a C    10.9757   -9.8582
            35  C1a C     8.2143  -10.6604
            36  C1a C     7.5239   -9.4651
            37  C1a C     9.5933  -10.6593
            38  O1a O     9.9855   -3.3714
            39  C1a C     5.8419   -6.9036
            40  C1a C     6.5328   -8.0987
BOND        42
            1     8   9 2
            2    18  20 2
            3     9  10 1
            4     1  21 1 #Up
            5    10  11 2
            6    15  22 1 #Down
            7    11  12 1
            8    21  23 1
            9    12   7 2
            10   23  24 2
            11    1   2 1
            12   11  13 1
            13    3   4 1
            14    8  14 1
            15    6  25 2
            16   25  26 1
            17   26  27 2
            18   27  28 1
            19   28  29 2
            20   29   6 1
            21   14  15 1
            22   23  30 1
            23    4   5 1 #Down
            24   30  31 1 #Down
            25   13  16 1
            26   30  32 1
            27   15   1 1
            28   32  33 1
            29    2   3 1
            30   33  34 1
            31   16  17 1
            32   31  35 1
            33    5   6 1
            34   31  36 1
            35    4  18 1
            36   32  37 1 #Down
            37   18  17 1
            38   13  38 1 #Either
            39    7   8 1
            40   22  39 1
            41    2  19 2
            42   22  40 1


entry: C10013
name: --- - Sativanine B
formula: C30H38N4O4
kcf:
ATOM        38
            1   C1y C     9.5784   -8.5813
            2   C5x C    10.2659   -8.1854
            3   N1x N    10.9492   -8.5771
            4   C1y C    11.6326   -8.1813
            5   C1c C    12.3201   -8.5729
            6   C1a C    13.0034   -8.1771
            7   C8x C     9.2833   -5.6917
            8   C8y C     9.2833   -6.4875
            9   C8x C     9.9704   -6.8833
            10  C8x C    10.6574   -6.4875
            11  C8y C    10.6574   -5.6917
            12  C8x C     9.9704   -5.2958
            13  C2x C    11.3430   -5.2964
            14  O2x O     8.5982   -6.8837
            15  C1y C     8.5987   -8.0170
            16  C2x C    12.3280   -5.8677
            17  N1x N    12.3264   -7.0035
            18  C5x C    11.6308   -7.3896
            19  O5x O    10.2641   -7.3938
            20  O5x O    10.9479   -6.9896
            21  N1y N     9.5790   -9.3771
            22  C8y C     7.9069   -8.4153
            23  C8x C     7.2225   -8.0177
            24  C8x C     6.5348   -8.4160
            25  C8x C     6.5358   -9.2109
            26  C8x C     7.2244   -9.6075
            27  C8x C     7.9120   -9.2092
            28  C1a C    12.3219   -9.3688
            29  C1x C     8.9356   -9.8435
            30  N1y N     9.1828  -10.5988
            31  C1y C     9.9744  -10.5980
            32  C5x C    10.2205   -9.8424
            33  O5x O    10.9761   -9.5963
            34  C1a C     8.7193  -11.2416
            35  C1b C    10.6583  -10.9875
            36  C1b C    11.3417  -10.5917
            37  C1b C    12.0292  -10.9833
            38  C1a C    12.7125  -10.5875
BOND        41
            1     2  19 2
            2     8   9 2
            3    18  20 2
            4     9  10 1
            5     1  21 1 #Up
            6    10  11 2
            7    15  22 1
            8    11  12 1
            9    12   7 2
            10    1   2 1
            11   11  13 1
            12    3   4 1
            13   22  23 2
            14   23  24 1
            15   24  25 2
            16   25  26 1
            17   26  27 2
            18   27  22 1
            19    8  14 1
            20    5  28 1
            21   14  15 1
            22    4   5 1 #Down
            23   13  16 2
            24   15   1 1
            25   21  29 1
            26   29  30 1
            27   30  31 1
            28   31  32 1
            29   32  21 1
            30    2   3 1
            31   32  33 2
            32   16  17 1
            33   30  34 1
            34    5   6 1
            35   31  35 1 #Either
            36    4  18 1
            37   35  36 1
            38   18  17 1
            39   36  37 1
            40    7   8 1
            41   37  38 1


entry: C10014
name: --- - Scutianine F
formula: C38H45N5O5
kcf:
ATOM        48
            1   C1y C     6.3576   -7.7146
            2   C5x C     7.0492   -7.3146
            3   N1x N     7.7409   -7.7104
            4   C1y C     8.4284   -7.3104
            5   C1b C     9.1201   -7.7063
            6   C8y C     9.8117   -7.3063
            7   C8x C     6.0583   -4.7958
            8   C8y C     6.0583   -5.5958
            9   C8x C     6.7537   -5.9958
            10  C8x C     7.4449   -5.5958
            11  C8y C     7.4449   -4.7958
            12  C8x C     6.7537   -4.3958
            13  C2x C     8.1388   -4.3964
            14  O2x O     5.3649   -5.9962
            15  C1y C     5.3653   -7.1420
            16  C2x C     9.1280   -4.9719
            17  N1x N     9.1264   -6.1160
            18  C5x C     8.4266   -6.5104
            19  O5x O     7.0474   -6.5146
            20  O5x O     7.7396   -6.1062
            21  N1b N     6.3582   -8.5146
            22  C1c C     4.6694   -7.5445
            23  C5a C     7.0522   -8.9140
            24  C1y C     7.0528   -9.7140
            25  O5a O     7.7413   -8.5135
            26  C1a C     4.6745   -8.3467
            27  C8x C    10.5005   -7.7066
            28  C8x C    11.1922   -7.3066
            29  C8x C    11.1912   -6.5083
            30  C8x C    10.4986   -6.1101
            31  C8x C     9.8069   -6.5101
            32  N1y N     6.4067  -10.1864
            33  C1x C     6.6539  -10.9459
            34  C1x C     7.4580  -10.9451
            35  C1x C     7.7041  -10.1854
            36  C5a C     5.7125   -9.7833
            37  C1c C     5.0208  -10.1833
            38  C1b C     4.3292   -9.7833
            39  C8y C     3.6375  -10.1833
            40  O5a O     5.7132   -8.9833
            41  N1b N     5.0208  -10.9833
            42  C1a C     4.3272  -11.3833
            43  C8x C     2.9448   -9.7850
            44  C8x C     2.2532  -10.1850
            45  C8x C     2.2542  -10.9833
            46  C8x C     2.9468  -11.3816
            47  C8x C     3.6385  -10.9816
            48  C1a C     3.9742   -7.1471
BOND        52
            1    12   7 2
            2    24  23 1 #Down
            3     1   2 1
            4    23  25 2
            5    11  13 1
            6    26  22 1
            7     3   4 1
            8     8  14 1
            9    14  15 1
            10    4   5 1 #Down
            11    6  27 2
            12   27  28 1
            13   28  29 2
            14   29  30 1
            15   30  31 2
            16   31   6 1
            17   13  16 2
            18   15   1 1
            19    2   3 1
            20   16  17 1
            21   24  32 1
            22   32  33 1
            23   33  34 1
            24   34  35 1
            25   35  24 1
            26    5   6 1
            27   32  36 1
            28    4  18 1
            29   36  37 1
            30   18  17 1
            31   37  38 1
            32    7   8 1
            33   38  39 1
            34    2  19 2
            35   36  40 2
            36    8   9 2
            37   37  41 1 #Up
            38   18  20 2
            39   41  42 1
            40    9  10 1
            41    1  21 1 #Up
            42   10  11 2
            43   15  22 1 #Down
            44   11  12 1
            45   39  43 2
            46   43  44 1
            47   44  45 2
            48   45  46 1
            49   46  47 2
            50   47  39 1
            51   21  23 1
            52   22  48 1


entry: C10015
name: --- - Zizyphine A
formula: C33H49N5O6
kcf:
ATOM        44
            1   C5a C     9.2906  -14.1321
            2   C1c C     9.2913  -14.9363
            3   O5a O     9.9881  -13.7316
            4   N1b N     8.6451  -15.4129
            5   C5a C     7.9468  -15.0056
            6   C1c C     7.2551  -15.4098
            7   C1c C     6.5593  -15.0056
            8   C1b C     5.8635  -15.4098
            9   O5a O     7.9475  -14.2014
            10  N1c N     7.2551  -16.2139
            11  C1a C     6.5573  -16.6139
            12  C1a C     7.9488  -16.6139
            13  C1c C     9.9843  -15.3389
            14  C1b C    10.6801  -14.9348
            15  C1a C    11.3760  -15.3389
            16  C1a C     9.9842  -16.1431
            17  C5x C     9.6284  -12.3479
            18  C8x C     8.6333   -9.8167
            19  C8y C     8.6333  -10.6250
            20  C8x C     9.3329  -11.0250
            21  C8x C    10.0282  -10.6250
            22  C8y C    10.0282   -9.8167
            23  C8y C     9.3329   -9.4167
            24  C2x C    10.7221   -9.4172
            25  O2x O     7.9357  -11.0254
            26  C2x C    11.7196   -9.9927
            27  N1x N    11.7180  -11.1452
            28  C5x C    11.0183  -11.5396
            29  O5x O     9.6266  -11.5437
            30  O5x O    10.3229  -11.1354
            31  C1y C     8.9266  -12.7503
            32  C1y C     8.2383  -12.3432
            33  C1x C     7.6365  -12.8769
            34  C1x C     7.9579  -13.6089
            35  N1y N     8.7549  -13.5323
            36  C1y C    11.0201  -12.3438
            37  N1y N    10.3228  -12.7508
            38  C1x C    10.4931  -13.5374
            39  C1x C    11.2941  -13.6167
            40  C1x C    11.6191  -12.8818
            41  C1a C     6.5593  -14.2014
            42  C1a C     5.1652  -15.0065
            43  O2a O     9.3339   -8.6125
            44  C1a C    10.0322   -8.2092
BOND        47
            1    10  12 1
            2    22  24 1
            3     1   2 1
            4    19  25 1
            5     2  13 1
            6    24  26 2
            7     6   7 1
            8    26  27 1
            9    13  14 1
            10   36  28 1
            11   28  27 1
            12    2   4 1 #Down
            13   17  29 2
            14   14  15 1
            15   28  30 2
            16    7   8 1
            17   13  16 1 #Down
            18   31  17 1
            19   17  37 1
            20   31  32 1
            21   32  33 1
            22   33  34 1
            23   34  35 1
            24   35  31 1
            25   25  32 1
            26   35   1 1
            27    5   9 2
            28    4   5 1
            29    6  10 1 #Up
            30    1   3 2
            31   10  11 1
            32    5   6 1
            33   18  19 1
            34   36  37 1
            35   37  38 1
            36   38  39 1
            37   39  40 1
            38   40  36 1
            39   19  20 2
            40   20  21 1
            41    7  41 1 #Down
            42   21  22 2
            43    8  42 1
            44   22  23 1
            45   23  43 1
            46   23  18 2
            47   43  44 1


entry: C10016
name: --- - Zizyphine F
formula: C32H47N5O6
kcf:
ATOM        43
            1   C5a C    17.4156  -12.2863
            2   C1c C    17.4163  -13.0946
            3   O5a O    18.1131  -11.8857
            4   N1b N    16.7701  -13.5670
            5   C5a C    16.0718  -13.1598
            6   C1c C    15.3801  -13.5639
            7   C1c C    14.6843  -13.1598
            8   C1b C    13.9885  -13.5639
            9   O5a O    16.0725  -12.3556
            10  N1c N    15.3801  -14.3681
            11  C1a C    14.6823  -14.7681
            12  C1a C    16.0738  -14.7681
            13  C1c C    18.1093  -13.4931
            14  C1b C    18.8051  -13.0931
            15  C1a C    19.5010  -13.4931
            16  C1a C    18.1092  -14.2973
            17  C5x C    17.7534  -10.5021
            18  C8x C    16.7583   -7.9750
            19  C8y C    16.7583   -8.7792
            20  C8x C    17.4579   -9.1792
            21  C8x C    18.1532   -8.7792
            22  C8y C    18.1532   -7.9750
            23  C8y C    17.4579   -7.5708
            24  C2x C    18.8471   -7.5714
            25  O2x O    16.0607   -9.1795
            26  C2x C    19.8446   -8.1511
            27  N1x N    19.8430   -9.3035
            28  C5x C    19.1433   -9.6937
            29  O5x O    17.7516   -9.6979
            30  O5x O    18.4479   -9.2896
            31  C1y C    17.0516  -10.9044
            32  C1y C    16.3633  -10.4974
            33  C1x C    15.7615  -11.0311
            34  C1x C    16.0829  -11.7672
            35  N1y N    16.8799  -11.6864
            36  C1y C    19.1451  -10.4979
            37  N1y N    18.4478  -10.9050
            38  C1x C    18.6181  -11.6916
            39  C1x C    19.4191  -11.7750
            40  C1x C    19.7441  -11.0360
            41  C1a C    14.6843  -12.3556
            42  C1a C    13.2902  -13.1606
            43  O1a O    17.4589   -6.7667
BOND        46
            1    23  18 2
            2    10  12 1
            3    22  24 1
            4     1   2 1
            5    19  25 1
            6     2  13 1
            7    24  26 2
            8     6   7 1
            9    26  27 1
            10   13  14 1
            11   36  28 1
            12   28  27 1
            13    2   4 1 #Down
            14   17  29 2
            15   14  15 1
            16   28  30 2
            17    7   8 1
            18   13  16 1 #Down
            19   31  17 1
            20   17  37 1
            21   31  32 1
            22   32  33 1
            23   33  34 1
            24   34  35 1
            25   35  31 1
            26   25  32 1
            27   35   1 1
            28    5   9 2
            29    4   5 1
            30    6  10 1 #Up
            31    1   3 2
            32   10  11 1
            33    5   6 1
            34   18  19 1
            35   36  37 1
            36   37  38 1
            37   38  39 1
            38   39  40 1
            39   40  36 1
            40   19  20 2
            41   20  21 1
            42    7  41 1 #Down
            43   21  22 2
            44    8  42 1
            45   22  23 1
            46   23  43 1


entry: C10017
name: --- - Agathisflavone - 6,8''-Biapigenin
formula: C30H18O10
comment: Biflavone
kcf:
ATOM        40
            1   C8y C    -1.7621    0.2586
            2   C8y C    -1.7621   -0.5690
            3   C8y C    -1.0517    0.6724
            4   C8y C    -2.4759    0.6724
            5   C8y C    -2.4759   -0.9793
            6   O2x O    -1.0517   -0.9793
            7   C8y C    -0.3345    0.2586
            8   C8y C    -1.0517    1.4966
            9   C8x C    -3.1897    0.2586
            10  O1a O    -2.4759    1.4966
            11  C8y C    -2.4759   -1.8035
            12  C8y C    -3.1897   -0.5690
            13  C8y C    -1.0517   -1.8035
            14  C8y C     0.3724    0.6724
            15  O1a O    -0.3345   -0.5690
            16  C8x C    -0.3345    1.9069
            17  O1a O    -1.7759    1.9172
            18  C8x C    -1.7621   -2.2207
            19  O5x O    -3.1931   -2.2207
            20  O1a O    -3.9138   -0.9862
            21  C8y C    -0.3483   -2.2207
            22  C8y C     0.3724    1.4966
            23  C8y C     1.0828    0.2586
            24  C8x C     0.3724   -1.8035
            25  C8x C    -0.3483   -3.0414
            26  O2x O     1.0828    1.9069
            27  C8x C     1.8035    0.6724
            28  O5x O     1.0828   -0.5690
            29  C8x C     1.0828   -2.2207
            30  C8x C     0.3724   -3.4552
            31  C8y C     1.8035    1.4966
            32  C8y C     1.0828   -3.0414
            33  C8y C     2.5138    1.9069
            34  O1a O     1.8103   -3.4552
            35  C8x C     3.2276    1.4966
            36  C8x C     2.5138    2.7310
            37  C8x C     3.9414    1.9069
            38  C8x C     3.2276    3.1448
            39  C8y C     3.9414    2.7310
            40  O1a O     4.6655    3.1586
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17   11  18 1
            18   11  19 2
            19   12  20 1
            20   13  21 1
            21   14  22 1
            22   14  23 1
            23   21  24 1
            24   21  25 2
            25   22  26 1
            26   23  27 1
            27   23  28 2
            28   24  29 2
            29   25  30 1
            30   26  31 1
            31   29  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 2
            35   33  36 1
            36   35  37 1
            37   36  38 2
            38   37  39 2
            39   39  40 1
            40    9  12 2
            41   13  18 2
            42   16  22 2
            43   27  31 2
            44   30  32 2
            45   38  39 1


entry: C10018
name: --- - Amentoflavone - 3',8''-Biapigenin
formula: C30H18O10
comment: Biflavone
kcf:
ATOM        40
            1   C8y C     1.8828    0.8690
            2   C8y C     1.8828    0.0448
            3   C8y C     1.1690    1.2828
            4   C8y C     2.5966    1.2793
            5   C8y C     2.5897   -0.3690
            6   O2x O     1.1690   -0.3621
            7   C8x C     0.4483    0.8690
            8   C8y C     1.1724    2.1138
            9   C8x C     3.3103    0.8655
            10  O1a O     2.6000    2.1034
            11  C8y C     2.5862   -1.1897
            12  C8y C     3.3069    0.0379
            13  C8y C     1.1655   -1.1828
            14  C8y C    -0.2621    1.2897
            15  C8x C     0.4552    2.5276
            16  O1a O     1.8931    2.5207
            17  C8x C     1.8759   -1.5966
            18  O5x O     3.3000   -1.6069
            19  O1a O     4.0207   -0.3759
            20  C8y C     0.4483   -1.5931
            21  C8y C    -0.9828    0.8759
            22  C8x C    -0.2586    2.1172
            23  C8x C    -0.2586   -1.1759
            24  C8x C     0.4483   -2.4172
            25  O2x O    -1.7000    1.2966
            26  C8x C    -0.9862    0.0483
            27  C8x C    -0.9759   -1.5862
            28  C8x C    -0.2655   -2.8276
            29  C8y C    -2.4207    0.8828
            30  C8y C    -1.7069   -0.3621
            31  C8y C    -0.9793   -2.4103
            32  C8y C    -2.4241    0.0552
            33  C8x C    -3.1345    1.3000
            34  O5x O    -1.7103   -1.1897
            35  O1a O    -1.6965   -2.8207
            36  C8y C    -3.1345   -0.3586
            37  C8y C    -3.8552    0.8828
            38  C8x C    -3.8552    0.0552
            39  O1a O    -3.1345   -1.1862
            40  O1a O    -4.5759    1.3000
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15    8  16 1
            16   11  17 1
            17   11  18 2
            18   12  19 1
            19   13  20 1
            20   14  21 1
            21   14  22 1
            22   20  23 2
            23   20  24 1
            24   21  25 1
            25   21  26 2
            26   23  27 1
            27   24  28 2
            28   25  29 1
            29   26  30 1
            30   27  31 2
            31   29  32 2
            32   29  33 1
            33   30  34 2
            34   31  35 1
            35   32  36 1
            36   33  37 2
            37   36  38 2
            38   36  39 1
            39   37  40 1
            40    9  12 2
            41   13  17 2
            42   15  22 2
            43   28  31 1
            44   30  32 1
            45   37  38 1


entry: C10019
name: --- - Apigenin 7,4'-dimethyl ether - Apigenin dimethylether
formula: C17H14O5
comment: Flavone
kcf:
ATOM        22
            1   C8y C    -0.9828   -0.8241
            2   C8y C    -0.9793    0.0069
            3   C8y C    -0.2655   -1.2379
            4   C8y C    -1.6931   -1.2345
            5   O2x O    -0.2586    0.4207
            6   C8x C    -1.6931    0.4207
            7   C8x C     0.4517   -0.8310
            8   O5x O    -0.2690   -2.0690
            9   C8x C    -2.4138   -0.8241
            10  O1a O    -1.6931   -2.0655
            11  C8y C     0.4552    0.0000
            12  C8y C    -2.4138    0.0069
            13  C8y C     1.1759    0.4138
            14  O2a O    -3.1345    0.4241
            15  C8x C     1.8897   -0.0069
            16  C8x C     1.1759    1.2414
            17  C1a C    -3.8517    0.0069
            18  C8x C     2.6103    0.4034
            19  C8x C     1.8966    1.6483
            20  C8y C     2.6138    1.2345
            21  O2a O     3.3345    1.6448
            22  C1a C     4.0517    1.2276
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 2
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   16  19 2
            19   18  20 2
            20   20  21 1
            21   21  22 1
            22    7  11 2
            23    9  12 1
            24   19  20 1


entry: C10020
name: --- - Apigenin 7-(6''-malonylglucoside) - Apigenin 7-O-(6-malonyl-beta-D-glucoside)
formula: C24H22O13
kcf:
ATOM        37
            1   C8y C     1.7897   -0.6345
            2   C8y C     1.7931    0.1448
            3   C8y C     2.4586   -1.0276
            4   C8y C     1.1207   -1.0241
            5   O2x O     2.4655    0.5276
            6   C8x C     1.1207    0.5310
            7   C8x C     3.1379   -0.6379
            8   O5x O     2.4552   -1.8069
            9   C8x C     0.4448   -0.6345
            10  O1a O     1.1207   -1.8035
            11  C8y C     3.1414    0.1379
            12  C8y C     0.4448    0.1448
            13  C8y C     3.8172    0.5241
            14  O2a O    -0.2276    0.5345
            15  C8x C     4.4862    0.1310
            16  C8x C     3.8172    1.3000
            17  C1y C    -1.0448    0.0897
            18  C8x C     5.1621    0.5138
            19  C8x C     4.4931    1.6862
            20  O2x O    -1.7172    0.4759
            21  C1y C    -1.0448   -0.6897
            22  C8y C     5.1655    1.2931
            23  C1y C    -2.3897    0.0897
            24  C1y C    -1.7172   -1.0793
            25  O1a O    -0.3724   -1.0793
            26  O1a O     5.8414    1.6828
            27  C1y C    -2.3897   -0.6897
            28  C1b C    -2.9759    0.5034
            29  O1a O    -1.7138   -1.8586
            30  O1a O    -3.0655   -1.0793
            31  O7a O    -3.7414    0.0897
            32  C7a C    -4.4138    0.4759
            33  C1b C    -5.0897    0.0897
            34  O7a O    -4.4138    1.2552
            35  C6a C    -5.7621    0.4759
            36  O6a O    -5.7621    1.2552
            37  O6a O    -6.4345    0.0897
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 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 2
            15   13  16 1
            16   17  14 1 #Up
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   17  21 1
            21   18  22 2
            22   20  23 1
            23   21  24 1
            24   21  25 1 #Down
            25   22  26 1
            26   23  27 1
            27   23  28 1 #Up
            28   24  29 1 #Up
            29   27  30 1 #Down
            30   28  31 1
            31   31  32 1
            32   32  33 1
            33   32  34 2
            34   33  35 1
            35   35  36 1
            36   35  37 2
            37    7  11 2
            38    9  12 1
            39   19  22 1
            40   24  27 1


entry: C10021
name: --- - Axillarin - Quercetagetin 3,6-dimethyl ether
formula: C17H14O8
comment: Flavonol
kcf:
ATOM        25
            1   C8y C     0.5483    0.1172
            2   C8y C     1.2655    0.5276
            3   C8y C     0.5448   -0.7103
            4   O2x O    -0.1690    0.5379
            5   C8x C     1.2655    1.3517
            6   C8x C     1.9759    0.1103
            7   C8y C    -0.1759   -1.1207
            8   O2a O     1.2586   -1.1276
            9   C8y C    -0.8897    0.1241
            10  C8y C     1.9828    1.7586
            11  C8x C     2.6897    0.5172
            12  C8y C    -0.8931   -0.7034
            13  O5x O    -0.1793   -1.9483
            14  C1a C     1.9724   -0.7172
            15  C8x C    -1.6035    0.5414
            16  C8y C     2.6966    1.3414
            17  O1a O     1.9862    2.5828
            18  C8y C    -1.6035   -1.1172
            19  C8y C    -2.3241    0.1241
            20  O1a O     3.4103    1.7517
            21  C8y C    -2.3241   -0.7034
            22  O1a O    -1.6035   -1.9414
            23  O1a O    -3.0414    0.5379
            24  O2a O    -3.0379   -1.1172
            25  C1a C    -3.7552   -0.7069
BOND        27
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 1
            17   12  18 1
            18   15  19 2
            19   16  20 1
            20   18  21 2
            21   18  22 1
            22   19  23 1
            23   21  24 1
            24   24  25 1
            25    9  12 2
            26   11  16 2
            27   19  21 1


entry: C10022
name: --- - Azaleatin - Quercetin 5-methyl ether
formula: C16H12O7
comment: Flavonol
kcf:
ATOM        23
            1   C8y C    -1.0000    0.1172
            2   C8y C    -1.0035   -0.7138
            3   O2x O    -0.2793    0.5241
            4   C8x C    -1.7138    0.5276
            5   C8y C    -1.7138   -1.1310
            6   C8y C    -0.2862   -1.1345
            7   C8y C     0.4345    0.1103
            8   C8y C    -2.4345    0.1172
            9   C8x C    -2.4345   -0.7138
            10  O2a O    -1.7138   -1.9586
            11  C8y C     0.4310   -0.7207
            12  O5x O    -0.2897   -1.9621
            13  C8y C     1.1552    0.5207
            14  O1a O    -3.1552    0.5276
            15  C1a C    -2.4310   -2.3724
            16  O1a O     1.1483   -1.1379
            17  C8x C     1.1552    1.3448
            18  C8x C     1.8690    0.1000
            19  C8y C     1.8759    1.7586
            20  C8x C     2.5897    0.5103
            21  C8y C     2.5931    1.3414
            22  O1a O     1.8793    2.5897
            23  O1a O     3.3138    1.7552
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 1
            17   13  18 2
            18   17  19 2
            19   18  20 1
            20   19  21 1
            21   19  22 1
            22   21  23 1
            23    7  11 2
            24    8   9 1
            25   20  21 2


entry: C10023
name: --- - Baicalein - 5,6,7-Trihydroxyflavone
formula: C15H10O5
comment: Flavone
kcf:
ATOM        20
            1   C8y C    -0.6483    0.2103
            2   C8y C    -0.6517   -0.6172
            3   O2x O     0.0724    0.6241
            4   C8x C    -1.3621    0.6276
            5   C8y C     0.0655   -1.0345
            6   C8y C    -1.3621   -1.0310
            7   C8y C     0.7897    0.2034
            8   C8y C    -2.0828    0.2103
            9   C8x C     0.7862   -0.6241
            10  O5x O     0.0621   -1.8621
            11  C8y C    -2.0828   -0.6172
            12  O1a O    -1.3621   -1.8586
            13  C8y C     1.5103    0.6172
            14  O1a O    -2.7966    0.6276
            15  O1a O    -2.7966   -1.0310
            16  C8x C     2.2241    0.1966
            17  C8x C     1.5103    1.4448
            18  C8x C     2.9414    0.6103
            19  C8x C     2.2310    1.8552
            20  C8x C     2.9448    1.4414
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   11  15 1
            15   13  16 2
            16   13  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20    7   9 2
            21    8  11 1
            22   19  20 1


entry: C10024
name: --- - Baicalein 5,6,7-trimethyl ether
formula: C18H16O5
comment: Flavone
kcf:
ATOM        23
            1   C8y C    -0.2483    0.3310
            2   C8y C    -0.2517   -0.5000
            3   O2x O     0.4690    0.7414
            4   C8x C    -0.9655    0.7414
            5   C8y C    -0.9655   -0.9138
            6   C8y C     0.4621   -0.9172
            7   C8y C     1.1862    0.3241
            8   C8y C    -1.6862    0.3310
            9   C8y C    -1.6862   -0.5000
            10  O2a O    -0.9621   -1.7448
            11  C8x C     1.1828   -0.5034
            12  O5x O     0.4586   -1.7483
            13  C8y C     1.9035    0.7345
            14  O2a O    -2.4035    0.7448
            15  O2a O    -2.4035   -0.9172
            16  C1a C    -1.6793   -2.1621
            17  C8x C     2.6207    0.3138
            18  C8x C     1.9069    1.5621
            19  C1a C    -3.1207    0.3310
            20  C1a C    -3.1207   -0.5000
            21  C8x C     3.3414    0.7241
            22  C8x C     2.6276    1.9759
            23  C8x C     3.3448    1.5552
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   13  17 2
            17   13  18 1
            18   14  19 1
            19   15  20 1
            20   17  21 1
            21   18  22 2
            22   21  23 2
            23    7  11 2
            24    8   9 1
            25   22  23 1


entry: C10025
name: --- - Baicalin - Baicalein 7-O-glucuronide
formula: C21H18O11
comment: Flavone O-glycoside
kcf:
ATOM        32
            1   C8y C     1.2172    0.1310
            2   C8y C     1.2138   -0.6793
            3   O2x O     1.9241    0.5379
            4   C8x C     0.5138    0.5414
            5   C8y C     0.5138   -1.0897
            6   C8y C     1.9138   -1.0931
            7   C8y C     2.6241    0.1276
            8   C8y C    -0.1897    0.1310
            9   C8y C    -0.1897   -0.6793
            10  O1a O     0.5172   -1.9000
            11  C8x C     2.6207   -0.6862
            12  O5x O     1.9103   -1.9035
            13  C8y C     3.3310    0.5310
            14  O2a O    -1.1793    0.9103
            15  O1a O    -0.8931   -1.0897
            16  C8x C     4.0276    0.1172
            17  C8x C     3.3310    1.3414
            18  C1y C    -1.9483    0.5379
            19  C8x C     4.7379    0.5241
            20  C8x C     4.0345    1.7448
            21  O2x O    -2.6483    0.9414
            22  C1y C    -1.9483   -0.2759
            23  C8x C     4.7414    1.3345
            24  C1y C    -3.3552    0.5379
            25  C1y C    -2.6483   -0.6828
            26  O1a O    -1.2448   -0.6828
            27  C1y C    -3.3552   -0.2759
            28  C6a C    -4.0586    0.9414
            29  O1a O    -2.6448   -1.4966
            30  O1a O    -4.0586   -0.6862
            31  O6a O    -4.0552    1.7552
            32  O6a O    -4.7621    0.5379
BOND        35
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   13  17 1
            17   18  14 1 #Up
            18   16  19 1
            19   17  20 2
            20   18  21 1
            21   18  22 1
            22   19  23 2
            23   21  24 1
            24   22  25 1
            25   22  26 1 #Down
            26   24  27 1
            27   24  28 1 #Up
            28   25  29 1 #Up
            29   27  30 1 #Down
            30   28  31 1
            31   28  32 2
            32    7  11 2
            33    8   9 1
            34   20  23 1
            35   25  27 1


entry: C10026
name: --- - Carlinoside
formula: C26H28O15
comment: Flavone C-glycoside
kcf:
ATOM        41
            1   C1y C     3.3500   -9.8542
            2   C1y C     3.3500  -10.6792
            3   C1y C     4.0662  -11.0917
            4   O2x O     4.7782  -10.6792
            5   C1x C     4.7782   -9.8542
            6   C1y C     4.0662   -9.4417
            7   C8y C     4.0672  -11.9167
            8   C8y C     4.7792  -12.3318
            9   C8y C     4.7758  -13.1594
            10  O2x O     5.4999  -11.9214
            11  C8y C     3.3447  -12.3318
            12  C8y C     4.0654  -13.5766
            13  C8y C     5.4930  -13.5801
            14  C8y C     6.2171  -12.3352
            15  C8y C     3.3447  -13.1594
            16  O1a O     2.6275  -11.9180
            17  O1a O     4.0689  -14.4042
            18  C8x C     6.2137  -13.1663
            19  O5x O     5.4895  -14.4076
            20  C8y C     6.9378  -11.9283
            21  C1y C     2.6275  -13.5766
            22  C8x C     6.9378  -11.1008
            23  C8x C     7.6516  -12.3456
            24  O2x O     1.9102  -13.1594
            25  C1y C     2.6275  -14.4042
            26  C8y C     7.6585  -10.6870
            27  C8x C     8.3723  -11.9352
            28  C1y C     1.1895  -13.5766
            29  C1y C     1.9102  -14.8180
            30  O1a O     3.3447  -14.8180
            31  C8y C     8.3758  -11.1042
            32  O1a O     7.6620   -9.8559
            33  C1y C     1.1895  -14.4042
            34  C1b C     0.4723  -13.1594
            35  O1a O     1.9137  -15.6456
            36  O1a O     9.0964  -10.6939
            37  O1a O     0.4723  -14.8180
            38  O1a O    -0.2449  -13.5732
            39  O1a O     2.6357  -11.0920
            40  O1a O     2.6357   -9.4413
            41  O1a O     4.0672   -8.6167
BOND        45
            1     3   4 1
            2     4   5 1
            3     5   6 1
            4     6   1 1
            5     3   7 1 #Up
            6     8   7 1
            7     8   9 2
            8     8  10 1
            9     7  11 2
            10    9  12 1
            11    9  13 1
            12   10  14 1
            13   11  15 1
            14   11  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 2
            18   14  20 1
            19   21  15 1 #Up
            20   20  22 1
            21   20  23 2
            22   21  24 1
            23   21  25 1
            24   22  26 2
            25   23  27 1
            26   24  28 1
            27   25  29 1
            28   25  30 1 #Down
            29   26  31 1
            30   26  32 1
            31   28  33 1
            32   28  34 1 #Up
            33   29  35 1 #Up
            34   31  36 1
            35   33  37 1 #Down
            36   34  38 1
            37   12  15 2
            38   14  18 2
            39   27  31 2
            40   29  33 1
            41    2  39 1 #Down
            42    1   2 1
            43    1  40 1 #Up
            44    2   3 1
            45    6  41 1 #Up


entry: C10027
name: --- - Chlorflavonin
formula: C18H15ClO7
comment: Flavonol
kcf:
ATOM        26
            1   C8y C    -0.7448   -0.0724
            2   C8y C    -0.7483   -0.9034
            3   C8y C    -1.4621    0.3379
            4   O2x O    -0.0276    0.3379
            5   C8y C    -0.0345   -1.3207
            6   C8y C    -1.4621   -1.3172
            7   C8y C    -2.1828   -0.0724
            8   O2a O    -1.4586    1.1690
            9   C8y C     0.6897   -0.0793
            10  C8y C     0.6862   -0.9069
            11  O5x O    -0.0379   -2.1517
            12  C8x C    -2.1828   -0.9034
            13  O1a O    -1.4586   -2.1483
            14  O2a O    -2.9000    0.3414
            15  C1a C    -2.1724    1.5828
            16  C8y C     1.4103    0.3310
            17  O2a O     1.4034   -1.3276
            18  C1a C    -3.6172   -0.0724
            19  C8y C     1.4103    1.1586
            20  C8x C     2.1241   -0.0862
            21  C1a C     2.1207   -0.9138
            22  C8y C     2.1310    1.5724
            23  O1a O     0.6931    1.5759
            24  C8x C     2.8448    0.3207
            25  C8x C     2.8483    1.1517
            26  X   Cl    2.1345    2.4000
BOND        28
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   14  18 1
            18   16  19 1
            19   16  20 2
            20   17  21 1
            21   19  22 2
            22   19  23 1
            23   20  24 1
            24   22  25 1
            25   22  26 1
            26    7  12 1
            27    9  10 2
            28   24  25 2


entry: C10028
name: --- - Chrysin - 5,7-Dihydroxyflavone
formula: C15H10O4
comment: Flavone
kcf:
ATOM        19
            1   C8y C    -0.7966   -0.6724
            2   C8y C    -0.7931    0.1586
            3   C8y C    -0.0793   -1.0862
            4   C8y C    -1.5103   -1.0862
            5   O2x O    -0.0724    0.5690
            6   C8x C    -1.5103    0.5724
            7   C8x C     0.6379   -0.6793
            8   O5x O    -0.0828   -1.9172
            9   C8x C    -2.2310   -0.6724
            10  O1a O    -1.5069   -1.9138
            11  C8y C     0.6414    0.1517
            12  C8y C    -2.2310    0.1586
            13  C8y C     1.3621    0.5655
            14  O1a O    -2.9448    0.5724
            15  C8x C     2.0793    0.1414
            16  C8x C     1.3655    1.3931
            17  C8x C     2.7931    0.5552
            18  C8x C     2.0862    1.8000
            19  C8x C     2.7966    1.3862
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 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 2
            15   13  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19    7  11 2
            20    9  12 1
            21   18  19 1


entry: C10029
name: --- - Chrysin 5,7-dimethyl ether - 5,7-Dimethoxyflavone
formula: C17H14O4
comment: Flavone
kcf:
ATOM        21
            1   C8y C    -0.5103    0.2621
            2   C8y C    -0.5138   -0.5655
            3   O2x O     0.2034    0.6724
            4   C8x C    -1.2276    0.6759
            5   C8y C    -1.2276   -0.9828
            6   C8y C     0.1966   -0.9862
            7   C8y C     0.9207    0.2586
            8   C8y C    -1.9483    0.2621
            9   C8x C    -1.9483   -0.5655
            10  O2a O    -1.2241   -1.8103
            11  C8x C     0.9172   -0.5724
            12  O5x O     0.1931   -1.8138
            13  C8y C     1.6414    0.6655
            14  O2a O    -2.6655    0.6759
            15  C1a C    -1.9448   -2.2310
            16  C8x C     2.3552    0.2448
            17  C8x C     1.6448    1.4931
            18  C1a C    -3.3862    0.2655
            19  C8x C     3.0759    0.6586
            20  C8x C     2.3621    1.9069
            21  C8x C     3.0793    1.4862
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   16  19 1
            19   17  20 2
            20   19  21 2
            21    7  11 2
            22    8   9 1
            23   20  21 1


entry: C10030
name: --- - Chrysosplenetin - Chrysosplenetin B - Quercetagetin 3,6,7,3'-tetramethyl ether
formula: C19H18O8
comment: Flavonol
kcf:
ATOM        27
            1   C8y C    -0.8552   -0.8207
            2   C8y C    -0.8517    0.0069
            3   C8y C    -0.1379   -1.2414
            4   C8y C    -1.5690   -1.2379
            5   O2x O    -0.1310    0.4172
            6   C8x C    -1.5690    0.4207
            7   C8y C     0.5828   -0.8276
            8   O5x O    -0.1414   -2.0690
            9   C8y C    -2.2897   -0.8207
            10  O1a O    -1.5655   -2.0690
            11  C8y C     0.5862    0.0000
            12  C8y C    -2.2897    0.0069
            13  O2a O     1.2966   -1.2483
            14  O2a O    -3.0035   -1.2379
            15  C8y C     1.3069    0.4103
            16  O2a O    -3.0035    0.4207
            17  C1a C     2.0172   -0.8345
            18  C1a C    -3.7207   -0.8207
            19  C8x C     1.3069    1.2379
            20  C8x C     2.0207   -0.0069
            21  C1a C    -3.7207    0.0069
            22  C8y C     2.0276    1.6517
            23  C8x C     2.7345    0.4034
            24  C8y C     2.7379    1.2310
            25  O2a O     2.0310    2.4793
            26  O1a O     3.4586    1.6448
            27  C1a C     2.7483    2.8897
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 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 1
            19   15  20 2
            20   16  21 1
            21   19  22 2
            22   20  23 1
            23   22  24 1
            24   22  25 1
            25   24  26 1
            26   25  27 1
            27    7  11 2
            28    9  12 1
            29   23  24 2


entry: C10031
name: --- - Chrysosplenol C - Quercetagetin 3,7,3'-trimethyl ether
formula: C18H16O8
comment: Flavonol
kcf:
ATOM        26
            1   C8y C     0.4414   -0.0310
            2   C8y C     1.1621    0.3793
            3   C8y C     0.4379   -0.8586
            4   O2x O    -0.2759    0.3862
            5   C8x C     1.1621    1.2069
            6   C8x C     1.8759   -0.0379
            7   C8y C    -0.2828   -1.2724
            8   O2a O     1.1552   -1.2793
            9   C8y C    -0.9966   -0.0241
            10  C8y C     1.8828    1.6207
            11  C8x C     2.5931    0.3724
            12  C8y C    -1.0000   -0.8517
            13  O5x O    -0.2862   -2.1034
            14  C1a C     1.8759   -0.8655
            15  C8x C    -1.7103    0.3897
            16  C8y C     2.5966    1.2000
            17  O2a O     1.8862    2.4483
            18  C8y C    -1.7103   -1.2690
            19  C8y C    -2.4310   -0.0241
            20  O1a O     3.3172    1.6138
            21  C1a C     2.6034    2.8586
            22  C8y C    -2.4310   -0.8517
            23  O1a O    -1.7103   -2.1000
            24  O2a O    -3.1448    0.3897
            25  O1a O    -3.1448   -1.2690
            26  C1a C    -3.8655   -0.0241
BOND        28
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 1
            17   12  18 1
            18   15  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   22  25 1
            25   24  26 1
            26    9  12 2
            27   11  16 2
            28   19  22 1


entry: C10032
name: --- - Cirsilineol
formula: C18H16O7
comment: Flavone
kcf:
ATOM        25
            1   C8y C    -0.7241   -0.9034
            2   C8y C    -0.7207   -0.0759
            3   C8y C    -1.4345   -1.3207
            4   C8y C    -0.0069   -1.3241
            5   O2x O     0.0000    0.3345
            6   C8x C    -1.4345    0.3379
            7   C8y C    -2.1552   -0.9034
            8   O1a O    -1.4345   -2.1517
            9   C8x C     0.7138   -0.9103
            10  O5x O    -0.0103   -2.1552
            11  C8y C     0.7172   -0.0828
            12  C8y C    -2.1552   -0.0759
            13  O2a O    -2.8690   -1.3207
            14  C8y C     1.4379    0.3276
            15  O2a O    -2.8690    0.3379
            16  C1a C    -3.5897   -0.9069
            17  C8x C     1.4379    1.1552
            18  C8x C     2.1517   -0.0897
            19  C1a C    -3.5897   -0.0759
            20  C8y C     2.1586    1.5690
            21  C8x C     2.8690    0.3207
            22  C8y C     2.8724    1.1483
            23  O2a O     2.1621    2.3966
            24  O1a O     3.5931    1.5621
            25  C1a C     2.8793    2.8069
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 2
            20   18  21 1
            21   20  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1
            25    7  12 1
            26    9  11 2
            27   21  22 2


entry: C10033
name: --- - Cirsiliol
formula: C17H14O7
comment: Flavone
kcf:
ATOM        24
            1   C8y C    -0.6000    0.0414
            2   C8y C    -0.6034   -0.7862
            3   O2x O     0.1207    0.4517
            4   C8x C    -1.3172    0.4552
            5   C8y C    -1.3172   -1.2034
            6   C8y C     0.1138   -1.2069
            7   C8y C     0.8379    0.0345
            8   C8y C    -2.0379    0.0414
            9   C8y C    -2.0379   -0.7862
            10  O1a O    -1.3138   -2.0345
            11  C8x C     0.8345   -0.7931
            12  O5x O     0.1103   -2.0379
            13  C8y C     1.5586    0.4448
            14  O2a O    -2.7517    0.4552
            15  O2a O    -2.7517   -1.2034
            16  C8x C     1.5586    1.2724
            17  C8x C     2.2724    0.0276
            18  C1a C    -3.4690    0.0414
            19  C1a C    -3.4690   -0.7897
            20  C8y C     2.2793    1.6862
            21  C8x C     2.9897    0.4379
            22  C8y C     2.9931    1.2655
            23  O1a O     2.2828    2.5138
            24  O1a O     3.7138    1.6793
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 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 2
            20   17  21 1
            21   20  22 1
            22   20  23 1
            23   22  24 1
            24    7  11 2
            25    8   9 1
            26   21  22 2


entry: C10034
name: --- - Cupressuflavone - 8,8''-Biapigenin
formula: C30H18O10
comment: Biflavone
kcf:
ATOM        40
            1   C8y C     0.7138   -0.8276
            2   C8y C    -0.0034   -0.4103
            3   C8y C     0.7103   -1.6552
            4   O2x O     1.4345   -0.4138
            5   C8y C     0.0000    0.4172
            6   C8y C    -0.7241   -0.8276
            7   C8y C     1.4276   -2.0724
            8   C8y C    -0.0034   -2.0690
            9   C8y C     2.1517   -0.8345
            10  C8y C    -0.7207    0.8310
            11  C8y C     0.7172    0.8276
            12  C8x C    -0.7241   -1.6552
            13  O1a O    -1.4414   -0.4103
            14  C8x C     2.1483   -1.6621
            15  O5x O     1.4241   -2.9000
            16  O1a O     0.0000   -2.9000
            17  C8y C     2.8690   -0.4207
            18  C8y C    -0.7172    1.6552
            19  O2x O    -1.4345    0.4207
            20  C8x C     0.7207    1.6586
            21  O1a O     1.4345    0.4172
            22  C8x C     3.5828   -0.8414
            23  C8x C     2.8690    0.4069
            24  C8y C    -1.4310    2.0724
            25  C8y C     0.0000    2.0759
            26  C8y C    -2.1483    0.8345
            27  C8x C     4.3035   -0.4276
            28  C8x C     3.5897    0.8172
            29  C8x C    -2.1483    1.6586
            30  O5x O    -1.4310    2.9000
            31  O1a O     0.0034    2.9035
            32  C8y C    -2.8655    0.4241
            33  C8y C     4.3069    0.4000
            34  C8x C    -3.5793    0.8345
            35  C8x C    -2.8621   -0.4103
            36  O1a O     5.0276    0.8103
            37  C8x C    -4.2966    0.4241
            38  C8x C    -3.5828   -0.8241
            39  C8y C    -4.3000   -0.4069
            40  O1a O    -5.0172   -0.8207
BOND        45
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1
            16    9  17 1
            17   10  18 2
            18   10  19 1
            19   11  20 1
            20   11  21 1
            21   17  22 2
            22   17  23 1
            23   18  24 1
            24   18  25 1
            25   19  26 1
            26   22  27 1
            27   23  28 2
            28   24  29 1
            29   24  30 2
            30   25  31 1
            31   26  32 1
            32   27  33 2
            33   32  34 2
            34   32  35 1
            35   33  36 1
            36   34  37 1
            37   35  38 2
            38   37  39 2
            39   39  40 1
            40    8  12 2
            41    9  14 2
            42   20  25 2
            43   26  29 2
            44   28  33 1
            45   38  39 1


entry: C10035
name: --- - Dasytrichone
formula: C18H16O4
comment: Flavone
kcf:
ATOM        22
            1   C8y C    -0.5103    0.1000
            2   C8y C    -0.5138   -0.7207
            3   O2x O     0.2000    0.5069
            4   C1z C    -1.2172    0.5103
            5   C8y C     0.1931   -1.1345
            6   C2y C    -1.2172   -1.1345
            7   C8y C     0.9103    0.0931
            8   C5x C    -1.9310    0.1000
            9   C1a C    -0.6483    1.0931
            10  C1a C    -1.9276    1.1310
            11  C8x C     0.9069   -0.7276
            12  O5x O     0.1897   -1.9552
            13  C2y C    -1.9310   -0.7207
            14  O1a O    -1.2172   -1.9552
            15  C8y C     1.6207    0.5000
            16  O5x O    -2.6448    0.5103
            17  C1a C    -2.6448   -1.1345
            18  C8x C     2.3276    0.0862
            19  C8x C     1.6241    1.3172
            20  C8x C     3.0448    0.4931
            21  C8x C     2.3345    1.7276
            22  C8x C     3.0483    1.3138
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    8  16 2
            16   13  17 1
            17   15  18 2
            18   15  19 1
            19   18  20 1
            20   19  21 2
            21   20  22 2
            22    7  11 2
            23    8  13 1
            24   21  22 1


entry: C10036
name: --- - Datiscetin - 3,5,7,2'-Tetrahydroxyflavone
formula: C15H10O6
comment: Flavonol
kcf:
ATOM        21
            1   C8y C    -0.9621   -0.5862
            2   C8y C    -0.9586    0.2414
            3   C8y C    -0.2448   -1.0035
            4   C8y C    -1.6724   -1.0000
            5   O2x O    -0.2379    0.6552
            6   C8x C    -1.6724    0.6586
            7   C8y C     0.4759   -0.5931
            8   O5x O    -0.2483   -1.8310
            9   C8x C    -2.3931   -0.5862
            10  O1a O    -1.6724   -1.8276
            11  C8y C     0.4793    0.2345
            12  C8y C    -2.3931    0.2414
            13  O1a O     1.1931   -1.0103
            14  C8y C     1.2000    0.6483
            15  O1a O    -3.1069    0.6586
            16  C8y C     1.9138    0.2276
            17  C8x C     1.2000    1.4759
            18  C8x C     2.6310    0.6414
            19  O1a O     1.9103   -0.6000
            20  C8x C     1.9207    1.8862
            21  C8x C     2.6345    1.4690
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 2
            16   14  17 1
            17   16  18 1
            18   16  19 1
            19   17  20 2
            20   18  21 2
            21    7  11 2
            22    9  12 1
            23   20  21 1


entry: C10037
name: --- - 5-Deoxykaempferol - 3,7,4'-Trihydroxyflavone
formula: C15H10O5
comment: Flavonol
kcf:
ATOM        20
            1   C8y C     0.3207    0.0207
            2   C8y C     1.0414    0.4345
            3   O2x O    -0.3897    0.4414
            4   C8y C     0.3172   -0.8103
            5   C8x C     1.7552    0.0138
            6   C8x C     1.0448    1.2621
            7   C8y C    -1.1103    0.0276
            8   C8y C    -0.4000   -1.2172
            9   O1a O     1.0345   -1.2241
            10  C8x C     2.4759    0.4241
            11  C8x C     1.7621    1.6690
            12  C8y C    -1.1138   -0.8034
            13  C8x C    -1.8276    0.4414
            14  O5x O    -0.4034   -2.0483
            15  C8y C     2.4793    1.2552
            16  C8x C    -1.8276   -1.2138
            17  C8y C    -2.5483    0.0276
            18  O1a O     3.2000    1.6655
            19  C8x C    -2.5483   -0.8034
            20  O1a O    -3.2655    0.4448
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 2
            12    7  13 1
            13    8  14 2
            14   10  15 2
            15   12  16 1
            16   13  17 2
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20    8  12 1
            21   11  15 1
            22   17  19 1


entry: C10038
name: --- - Diosmetin - Luteolin 4'-methyl ether
formula: C16H12O6
comment: Flavone
kcf:
ATOM        22
            1   C8y C    -1.2448   -0.9345
            2   C8y C    -1.2414   -0.1034
            3   C8y C    -0.5276   -1.3517
            4   C8y C    -1.9586   -1.3517
            5   O2x O    -0.5207    0.3034
            6   C8x C    -1.9586    0.3069
            7   C8x C     0.1931   -0.9414
            8   O5x O    -0.5310   -2.1828
            9   C8x C    -2.6759   -0.9345
            10  O1a O    -1.9552   -2.1793
            11  C8y C     0.1966   -0.1103
            12  C8y C    -2.6759   -0.1034
            13  C8y C     0.9138    0.3000
            14  O1a O    -3.3931    0.3069
            15  C8x C     0.9172    1.1276
            16  C8x C     1.6310   -0.1172
            17  C8y C     1.6379    1.5379
            18  C8x C     2.3517    0.2897
            19  C8y C     2.3552    1.1207
            20  O1a O     1.6414    2.3690
            21  O2a O     3.0690    1.5345
            22  C1a C     3.7862    1.1138
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   15  17 2
            17   16  18 1
            18   17  19 1
            19   17  20 1
            20   19  21 1
            21   21  22 1
            22    7  11 2
            23    9  12 1
            24   18  19 2


entry: C10039
name: --- - Diosmin - Diosmetin 7-O-rutinoside
formula: C28H32O15
comment: Flavone O-glycoside
kcf:
ATOM        43
            1   C8y C    17.4346   -8.5408
            2   C8y C    17.4380   -7.7201
            3   C8y C    18.1449   -8.9581
            4   C8y C    16.7311   -8.9546
            5   O2x O    18.1518   -7.3133
            6   C8x C    16.7311   -7.3133
            7   C8x C    18.8553   -8.5477
            8   O5x O    18.1415   -9.7788
            9   C8x C    16.0174   -8.5408
            10  O1a O    16.7311   -9.7753
            11  C8y C    18.8587   -7.7270
            12  C8y C    16.0174   -7.7201
            13  O2a O    15.3070   -7.3098
            14  C1y C    14.4932   -7.7236
            15  O2x O    13.7863   -7.3167
            16  C1y C    14.4932   -8.5443
            17  C1y C    13.0691   -7.7236
            18  C1y C    13.7863   -8.9581
            19  O1a O    15.2036   -8.9581
            20  C1y C    13.0691   -8.5443
            21  C1b C    12.3587   -7.3167
            22  O1a O    13.7863   -9.7788
            23  O1a O    12.3587   -8.9581
            24  C8y C    19.5752   -7.3181
            25  C8x C    19.5725   -6.5029
            26  C8x C    20.2829   -7.7339
            27  C8y C    20.2898   -6.0926
            28  C8x C    20.9932   -7.3305
            29  C8y C    20.9967   -6.5098
            30  O1a O    20.2932   -5.2719
            31  O2a O    21.7105   -6.0995
            32  C1a C    22.4173   -6.5133
            33  O2a O    11.6415   -7.7316
            34  C1y C     9.3416   -8.2333
            35  C1y C     9.3416   -9.0583
            36  C1y C    10.0578   -9.4708
            37  C1y C    10.7698   -9.0583
            38  C1y C    10.7698   -8.2333
            39  O2x O    10.0578   -7.8208
            40  C1a C     8.6274   -7.8205
            41  O1a O     8.6274   -9.4712
            42  O1a O    10.0589  -10.2958
            43  O1a O    11.4846   -9.4703
BOND        47
            1    17  20 1
            2    17  21 1 #Up
            3    18  22 1 #Up
            4    20  23 1 #Down
            5     7  11 2
            6     9  12 1
            7    18  20 1
            8    11  24 1
            9     1   2 2
            10    1   3 1
            11    1   4 1
            12    2   5 1
            13    2   6 1
            14    3   7 1
            15    3   8 2
            16    4   9 2
            17   24  25 1
            18   24  26 2
            19   25  27 2
            20   26  28 1
            21   27  29 1
            22   27  30 1
            23   29  31 1
            24   31  32 1
            25   28  29 2
            26   21  33 1
            27    4  10 1
            28    5  11 1
            29    6  12 2
            30   12  13 1
            31   14  13 1 #Up
            32   14  15 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   37  38 1
            37   38  39 1
            38   39  34 1
            39   38  33 1 #Up
            40   14  16 1
            41   34  40 1 #Down
            42   15  17 1
            43   35  41 1 #Up
            44   16  18 1
            45   36  42 1 #Down
            46   16  19 1 #Down
            47   37  43 1 #Down


entry: C10040
name: --- - Eupatilin
formula: C18H16O7
comment: Flavone
kcf:
ATOM        25
            1   C8y C    -1.0414   -0.9586
            2   C8y C    -1.0379   -0.1276
            3   C8y C    -1.7517   -1.3690
            4   C8y C    -0.3241   -1.3724
            5   O2x O    -0.3172    0.2862
            6   C8x C    -1.7517    0.2897
            7   C8y C    -2.4690   -0.9586
            8   O1a O    -1.7517   -2.1931
            9   C8x C     0.3966   -0.9621
            10  O5x O    -0.3276   -2.1966
            11  C8y C     0.4000   -0.1345
            12  C8y C    -2.4690   -0.1276
            13  O2a O    -3.1828   -1.3690
            14  C8y C     1.1207    0.2793
            15  O1a O    -3.1828    0.2828
            16  C1a C    -3.8966   -0.9586
            17  C8x C     1.1207    1.1069
            18  C8x C     1.8379   -0.1379
            19  C8y C     1.8414    1.5207
            20  C8x C     2.5586    0.2759
            21  C8y C     2.5586    1.1035
            22  O2a O     1.8448    2.3483
            23  O2a O     3.2759    1.5172
            24  C1a C     2.5586    2.7586
            25  C1a C     3.9897    1.1000
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 2
            18   17  19 2
            19   18  20 1
            20   19  21 1
            21   19  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25    7  12 1
            26    9  11 2
            27   20  21 2


entry: C10041
name: --- - Fisetin - 7,3',4'-Trihydroxyflavonol
formula: C15H10O6
comment: Flavonol
kcf:
ATOM        21
            1   C8y C     0.2379   -0.0966
            2   C8y C     0.9586    0.3138
            3   O2x O    -0.4759    0.3172
            4   C8y C     0.2345   -0.9241
            5   C8x C     0.9586    1.1414
            6   C8x C     1.6724   -0.1034
            7   C8y C    -1.1966   -0.0897
            8   C8y C    -0.4828   -1.3379
            9   O1a O     0.9517   -1.3448
            10  C8y C     1.6793    1.5552
            11  C8x C     2.3931    0.3034
            12  C8y C    -1.2000   -0.9207
            13  C8x C    -1.9103    0.3207
            14  O5x O    -0.4862   -2.1690
            15  C8y C     2.3966    1.1345
            16  O1a O     1.6828    2.3828
            17  C8x C    -1.9103   -1.3379
            18  C8y C    -2.6310   -0.0897
            19  O1a O     3.1172    1.5483
            20  C8x C    -2.6310   -0.9207
            21  O1a O    -3.3517    0.3207
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 1
            7     4   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13    8  14 2
            14   10  15 1
            15   10  16 1
            16   12  17 1
            17   13  18 2
            18   15  19 1
            19   17  20 2
            20   18  21 1
            21    8  12 1
            22   11  15 2
            23   18  20 1


entry: C10042
name: --- - Fisetin 8-C-glucoside
formula: C21H20O11
comment: Flavonol C-glycoside
kcf:
ATOM        32
            1   C1y C     2.2708  -10.4708
            2   C1y C     2.2708  -11.2958
            3   C1y C     2.9870  -11.7083
            4   O2x O     3.6990  -11.2958
            5   C1y C     3.6990  -10.4708
            6   C1y C     2.9870  -10.0583
            7   C8y C     2.9881  -12.5333
            8   C8y C     3.7078  -12.9530
            9   C8y C     2.2733  -12.9530
            10  C8y C     3.7043  -13.7806
            11  O2x O     4.4284  -12.5392
            12  C8x C     2.2733  -13.7806
            13  O1a O     1.5595  -12.5358
            14  C8y C     4.4216  -14.1978
            15  C8x C     2.9940  -14.1944
            16  C8y C     5.1457  -12.9565
            17  C8y C     5.1422  -13.7875
            18  O5x O     4.4181  -15.0254
            19  C8y C     5.8664  -12.5461
            20  O1a O     5.8595  -14.2013
            21  C8x C     5.8698  -11.7185
            22  C8x C     6.5802  -12.9668
            23  C8y C     6.5905  -11.3082
            24  C8x C     7.2974  -12.5530
            25  C8y C     7.3009  -11.7220
            26  O1a O     6.5940  -10.4772
            27  O1a O     8.0216  -11.3151
            28  O1a O     1.5566  -11.7087
            29  O1a O     1.5566  -10.0580
            30  O1a O     2.9881   -9.2333
            31  C1b C     4.4138  -10.0589
            32  O1a O     4.4144   -9.2339
BOND        35
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     8  10 2
            5     8  11 1
            6     9  12 1
            7     9  13 1
            8    10  14 1
            9    10  15 1
            10   11  16 1
            11   14  17 1
            12   14  18 2
            13   16  19 1
            14   17  20 1
            15   19  21 1
            16   19  22 2
            17   21  23 2
            18   22  24 1
            19   23  25 1
            20   23  26 1
            21   25  27 1
            22   12  15 2
            23   16  17 2
            24   24  25 2
            25    7   8 1
            26    7   9 2
            27    5   6 1
            28    2  28 1 #Down
            29    6   1 1
            30    1  29 1 #Up
            31    6  30 1 #Down
            32    3   7 1 #Up
            33    5  31 1 #Up
            34    1   2 1
            35   31  32 1


entry: C10043
name: --- - 2-Phenyl-4-benzopyron - 2-Phenyl-4-chromone - Flavone
formula: C15H10O2
comment: Flavone
kcf:
ATOM        17
            1   C8y C    -1.0586   -0.7517
            2   C8y C    -1.0552    0.0793
            3   C8y C    -0.3414   -1.1655
            4   C8x C    -1.7724   -1.1621
            5   O2x O    -0.3345    0.4931
            6   C8x C    -1.7724    0.4966
            7   C8x C     0.3759   -0.7586
            8   O5x O    -0.3448   -1.9966
            9   C8x C    -2.4897   -0.7517
            10  C8y C     0.3793    0.0724
            11  C8x C    -2.4897    0.0793
            12  C8y C     1.1000    0.4862
            13  C8x C     1.8138    0.0655
            14  C8x C     1.1000    1.3138
            15  C8x C     2.5345    0.4793
            16  C8x C     1.8207    1.7207
            17  C8x C     2.5379    1.3069
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 1
            7     3   8 2
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11   10  12 1
            12   12  13 2
            13   12  14 1
            14   13  15 1
            15   14  16 2
            16   15  17 2
            17    7  10 2
            18    9  11 1
            19   16  17 1


entry: C10044
name: --- - Galangin - 3,5,7-Trihydroxyflavone
formula: C15H10O5
comment: Flavonol
kcf:
ATOM        20
            1   C8y C    -0.8655   -0.6172
            2   C8y C    -0.8621    0.2103
            3   C8y C    -0.1483   -1.0345
            4   C8y C    -1.5793   -1.0310
            5   O2x O    -0.1414    0.6241
            6   C8x C    -1.5793    0.6276
            7   C8y C     0.5724   -0.6241
            8   O5x O    -0.1517   -1.8621
            9   C8x C    -2.3000   -0.6172
            10  O1a O    -1.5759   -1.8586
            11  C8y C     0.5759    0.2069
            12  C8y C    -2.3000    0.2103
            13  O1a O     1.2897   -1.0379
            14  C8y C     1.2966    0.6207
            15  O1a O    -3.0138    0.6276
            16  C8x C     2.0103    0.1966
            17  C8x C     1.2966    1.4448
            18  C8x C     2.7276    0.6103
            19  C8x C     2.0172    1.8552
            20  C8x C     2.7310    1.4414
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 2
            16   14  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20    7  11 2
            21    9  12 1
            22   19  20 1


entry: C10045
name: --- - Galangin 3,5,7-trimethyl ether
formula: C18H16O5
comment: Flavonol
kcf:
ATOM        23
            1   C8y C    -0.6862    0.3310
            2   C8y C    -0.6897   -0.4966
            3   O2x O     0.0310    0.7414
            4   C8x C    -1.4000    0.7448
            5   C8y C    -1.4000   -0.9138
            6   C8y C     0.0241   -0.9172
            7   C8y C     0.7483    0.3241
            8   C8y C    -2.1207    0.3310
            9   C8x C    -2.1207   -0.4966
            10  O2a O    -1.4000   -1.7448
            11  C8y C     0.7448   -0.5034
            12  O5x O     0.0207   -1.7448
            13  C8y C     1.4690    0.7345
            14  O2a O    -2.8414    0.7448
            15  C1a C    -2.1172   -2.1621
            16  O2a O     1.4621   -0.9241
            17  C8x C     2.1828    0.3138
            18  C8x C     1.4690    1.5621
            19  C1a C    -3.5586    0.3310
            20  C1a C     2.1828   -0.5138
            21  C8x C     2.9035    0.7276
            22  C8x C     2.1897    1.9759
            23  C8x C     2.9069    1.5552
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 2
            17   13  18 1
            18   14  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   21  23 2
            23    7  11 2
            24    8   9 1
            25   22  23 1


entry: C10046
name: --- - Genkwanin - Apigenin 7-methyl ether
formula: C16H12O5
comment: Flavone
kcf:
ATOM        21
            1   C8y C    -0.7897   -0.7655
            2   C8y C    -0.7862    0.0655
            3   C8y C    -0.0724   -1.1793
            4   C8y C    -1.5035   -1.1793
            5   O2x O    -0.0655    0.4793
            6   C8x C    -1.5035    0.4793
            7   C8x C     0.6448   -0.7724
            8   O5x O    -0.0759   -2.0103
            9   C8x C    -2.2241   -0.7655
            10  O1a O    -1.5000   -2.0069
            11  C8y C     0.6517    0.0586
            12  C8y C    -2.2241    0.0655
            13  C8y C     1.3690    0.4724
            14  O2a O    -2.9379    0.4793
            15  C8x C     2.0862    0.0483
            16  C8x C     1.3724    1.3000
            17  C1a C    -3.6552    0.0655
            18  C8x C     2.8000    0.4621
            19  C8x C     2.0931    1.7069
            20  C8y C     2.8034    1.2931
            21  O1a O     3.5241    1.7035
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 2
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   16  19 2
            19   18  20 2
            20   20  21 1
            21    7  11 2
            22    9  12 1
            23   19  20 1


entry: C10047
name: --- - Geraldone - 5-Deoxychrysoeriol
formula: C16H12O5
comment: Flavone
kcf:
ATOM        21
            1   C8y C    -1.2655   -0.2862
            2   C8y C    -1.2690   -1.1172
            3   O2x O    -0.5448    0.1207
            4   C8x C    -1.9828    0.1241
            5   C8y C    -0.5517   -1.5379
            6   C8x C    -1.9828   -1.5345
            7   C8y C     0.1690   -0.2931
            8   C8y C    -2.7000   -0.2862
            9   C8x C     0.1655   -1.1241
            10  O5x O    -0.5552   -2.3655
            11  C8x C    -2.7000   -1.1172
            12  C8y C     0.8897    0.1172
            13  O1a O    -3.4207    0.1241
            14  C8x C     0.8897    0.9414
            15  C8x C     1.6035   -0.3034
            16  C8y C     1.6103    1.3552
            17  C8x C     2.3241    0.1069
            18  C8y C     2.3276    0.9379
            19  O2a O     1.6138    2.1862
            20  O1a O     3.0483    1.3517
            21  C1a C     2.3345    2.5966
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13   12  14 1
            14   12  15 2
            15   14  16 2
            16   15  17 1
            17   16  18 1
            18   16  19 1
            19   18  20 1
            20   19  21 1
            21    7   9 2
            22    8  11 1
            23   17  18 2


entry: C10048
name: --- - Ginkgetin - Amentoflavone 7,4'-dimethyl ether
formula: C32H22O10
comment: Biflavone
kcf:
ATOM        42
            1   C8y C     1.9655   -0.0586
            2   C8y C     1.9655    0.7690
            3   C8y C     2.6793   -0.4759
            4   O2x O     1.2483   -0.4690
            5   C8y C     1.2483    1.1862
            6   C8y C     2.6862    1.1828
            7   C8y C     2.6759   -1.3000
            8   C8y C     3.4000   -0.0621
            9   C8y C     1.2448   -1.2931
            10  C8x C     0.5310    0.7759
            11  C8y C     1.2517    2.0138
            12  C8x C     3.4034    0.7655
            13  O1a O     2.6897    2.0103
            14  C8x C     1.9586   -1.7069
            15  O5x O     3.3931   -1.7172
            16  O1a O     4.1172   -0.4828
            17  C8y C     0.5241   -1.7035
            18  C8y C    -0.1862    1.1931
            19  C8x C     0.5379    2.4345
            20  O2a O     1.9724    2.4276
            21  C8x C    -0.1931   -1.2862
            22  C8x C     0.5207   -2.5310
            23  C8y C    -0.9000    0.7828
            24  C8x C    -0.1828    2.0207
            25  C1a C     1.9759    3.2586
            26  C8x C    -0.9069   -1.6965
            27  C8x C    -0.2000   -2.9448
            28  O2x O    -1.6172    1.2000
            29  C8x C    -0.9034   -0.0448
            30  C8y C    -0.9138   -2.5241
            31  C8y C    -2.3379    0.7897
            32  C8y C    -1.6241   -0.4586
            33  O1a O    -1.6345   -2.9379
            34  C8y C    -2.3414   -0.0379
            35  C8x C    -3.0552    1.2034
            36  O5x O    -1.6276   -1.2897
            37  C8y C    -3.0552   -0.4552
            38  C8y C    -3.7759    0.7897
            39  C8x C    -3.7759   -0.0379
            40  O1a O    -3.0517   -1.2862
            41  O2a O    -4.4931    1.2034
            42  C1a C    -5.2138    0.7897
BOND        47
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1
            16    9  17 1
            17   10  18 2
            18   11  19 1
            19   11  20 1
            20   17  21 2
            21   17  22 1
            22   18  23 1
            23   18  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 2
            27   23  28 1
            28   23  29 2
            29   26  30 2
            30   28  31 1
            31   29  32 1
            32   30  33 1
            33   31  34 2
            34   31  35 1
            35   32  36 2
            36   34  37 1
            37   35  38 2
            38   37  39 2
            39   37  40 1
            40   38  41 1
            41   41  42 1
            42    8  12 2
            43    9  14 2
            44   19  24 2
            45   27  30 1
            46   32  34 1
            47   38  39 1


entry: C10049
name: --- - Glepidotin A - 8-Prenylgalangin - 8-(3,3-DMA)galangin - 8-(3,3-Dimethylallyl)galangin
formula: C20H18O5
comment: Flavonol
kcf:
ATOM        25
            1   C8y C    -0.6621   -0.2793
            2   C8y C    -0.6655   -1.1069
            3   C8y C    -1.3759    0.1379
            4   O2x O     0.0586    0.1345
            5   C8y C     0.0517   -1.5241
            6   C8y C    -1.3759   -1.5207
            7   C8y C    -2.0931   -0.2793
            8   C1b C    -1.3759    0.9655
            9   C8y C     0.7759   -0.2828
            10  C8y C     0.7724   -1.1138
            11  O5x O     0.0483   -2.3483
            12  C8x C    -2.0931   -1.1069
            13  O1a O    -1.3759   -2.3448
            14  O1a O    -2.8103    0.1345
            15  C2b C    -0.6621    1.3759
            16  C8y C     1.4966    0.1310
            17  O1a O     1.4862   -1.5310
            18  C2c C    -0.6621    2.2000
            19  C8x C     2.2138   -0.2897
            20  C8x C     1.4966    0.9586
            21  C1a C     0.0517    2.6138
            22  C1a C    -1.3759    2.6138
            23  C8x C     2.9345    0.1241
            24  C8x C     2.2172    1.3724
            25  C8x C     2.9345    0.9552
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   15  18 2
            18   16  19 2
            19   16  20 1
            20   18  21 1
            21   18  22 1
            22   19  23 1
            23   20  24 2
            24   23  25 2
            25    7  12 1
            26    9  10 2
            27   24  25 1


entry: C10050
name: --- - Gossypetin 8-rhamnoside
formula: C21H20O12
comment: Flavonol
kcf:
ATOM        33
            1   C8y C    -0.5310   -1.0310
            2   C8y C    -0.5345   -1.8517
            3   C8y C    -1.2379   -0.6241
            4   O2x O     0.1828   -0.6276
            5   C8y C     0.1759   -2.2690
            6   C8y C    -1.2379   -2.2655
            7   O2a O    -1.2448    0.2103
            8   C8y C    -1.9517   -1.0310
            9   C8y C     0.8931   -1.0379
            10  C8y C     0.8897   -1.8586
            11  O5x O     0.1724   -3.0897
            12  C8x C    -1.9517   -1.8517
            13  O1a O    -1.2379   -3.0862
            14  C1y C    -1.2655    1.2000
            15  O1a O    -2.6621   -0.6241
            16  C8y C     1.6069   -0.6310
            17  O1a O     1.6000   -2.2724
            18  C1y C    -0.5586    1.6103
            19  O2x O    -1.9759    1.6035
            20  C8x C     1.6069    0.1862
            21  C8x C     2.3138   -1.0448
            22  C1y C    -0.5621    2.4310
            23  O1a O     0.1552    1.2034
            24  C1y C    -1.9828    2.4241
            25  C8y C     2.3207    0.5966
            26  C8x C     3.0241   -0.6414
            27  C1y C    -1.2724    2.8414
            28  O1a O     0.1483    2.8483
            29  C1a C    -2.6966    2.8310
            30  C8y C     3.0276    0.1793
            31  O1a O     2.3241    1.4172
            32  O1a O    -1.2793    3.6621
            33  O1a O     3.7414    0.5897
BOND        36
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13   14   7 1 #Down
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   14  18 1
            18   14  19 1
            19   16  20 1
            20   16  21 2
            21   18  22 1
            22   18  23 1 #Up
            23   19  24 1
            24   20  25 2
            25   21  26 1
            26   22  27 1
            27   22  28 1 #Up
            28   24  29 1 #Up
            29   25  30 1
            30   25  31 1
            31   27  32 1 #Down
            32   30  33 1
            33    8  12 1
            34    9  10 2
            35   24  27 1
            36   26  30 2


entry: C10051
name: --- - Gossypin - Gossypetin 8-O-glucoside
formula: C21H20O13
comment: Flavonol O-glycoside
kcf:
ATOM        34
            1   C8y C    -0.4828   -1.1035
            2   C8y C    -0.4862   -1.9241
            3   C8y C    -1.1897   -0.6966
            4   O2x O     0.2310   -0.6966
            5   C8y C     0.2241   -2.3414
            6   C8y C    -1.1897   -2.3379
            7   O2a O    -1.1966    0.1379
            8   C8y C    -1.9000   -1.1035
            9   C8y C     0.9448   -1.1103
            10  C8y C     0.9379   -1.9310
            11  O5x O     0.2207   -3.1621
            12  C8x C    -1.9000   -1.9241
            13  O1a O    -1.1862   -3.1586
            14  C1y C    -1.1931    1.1310
            15  O1a O    -2.6103   -0.6931
            16  C8y C     1.6552   -0.7034
            17  O1a O     1.6483   -2.3448
            18  O2x O    -0.4862    1.5345
            19  C1y C    -1.9035    1.5379
            20  C8x C     1.6552    0.1138
            21  C8x C     2.3621   -1.1172
            22  C1y C    -0.4828    2.3586
            23  C1y C    -1.9035    2.3586
            24  O1a O    -2.6138    1.1310
            25  C8y C     2.3690    0.5241
            26  C8x C     3.0724   -0.7138
            27  C1y C    -1.1931    2.7724
            28  C1b C     0.2276    2.7690
            29  O1a O    -2.6138    2.7690
            30  C8y C     3.0759    0.1069
            31  O1a O     2.3724    1.3448
            32  O1a O    -1.1931    3.5931
            33  O1a O     0.9414    2.3552
            34  O1a O     3.7897    0.5172
BOND        37
            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    5  11 2
            11    6  12 2
            12    6  13 1
            13   14   7 1 #Up
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   14  18 1
            18   14  19 1
            19   16  20 1
            20   16  21 2
            21   18  22 1
            22   19  23 1
            23   19  24 1 #Down
            24   20  25 2
            25   21  26 1
            26   22  27 1
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   25  30 1
            30   25  31 1
            31   27  32 1 #Down
            32   28  33 1
            33   30  34 1
            34    8  12 1
            35    9  10 2
            36   23  27 1
            37   26  30 2


entry: C10052
name: --- - Athyriol - 3-Methoxy-1,6,7-trihydroxyxanthone
formula: C14H10O6
kcf:
ATOM        20
            1   C8y C    -0.6103   -0.3069
            2   C8y C    -0.6069    0.5241
            3   C8y C     0.1069   -0.7207
            4   C8y C    -1.3241   -0.7172
            5   O2x O     0.1138    0.9379
            6   C8x C    -1.3241    0.9414
            7   C8y C     0.8172   -0.3103
            8   O5x O     0.1034   -1.5517
            9   C8x C    -2.0448   -0.3069
            10  O1a O    -1.3207   -1.5483
            11  C8y C     0.8276    0.5172
            12  C8y C    -2.0448    0.5241
            13  C8x C     1.5310   -0.7276
            14  C8x C     1.5483    0.9276
            15  O2a O    -2.7621    0.9414
            16  C8y C     2.2517   -0.3241
            17  C8y C     2.2586    0.5034
            18  C1a C    -3.4793    0.5241
            19  O1a O     2.9690   -0.7414
            20  O1a O     2.9828    0.9138
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 2
            16   14  17 2
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20    7  11 2
            21    9  12 1
            22   16  17 1


entry: C10053
name: --- - Bellidifolin - 3-Methoxy-1,5,8-trihydroxyxanthone
formula: C14H10O6
kcf:
ATOM        20
            1   C8y C    -0.4655    0.5241
            2   C8y C    -0.4690   -0.3034
            3   O2x O     0.2552    0.9345
            4   C8x C    -1.1828    0.9379
            5   C8y C     0.2483   -0.7241
            6   C8y C    -1.1828   -0.7207
            7   C8y C     0.9724    0.5172
            8   C8y C    -1.8966    0.5241
            9   C8y C     0.9655   -0.3103
            10  O5x O     0.2448   -1.5552
            11  C8x C    -1.8966   -0.3034
            12  O1a O    -1.1793   -1.5517
            13  C8y C     1.6931    0.9241
            14  O2a O    -2.6172    0.9379
            15  C8y C     1.6759   -0.7310
            16  C8x C     2.4035    0.5069
            17  O1a O     1.7000    1.7517
            18  C1a C    -3.3345    0.5241
            19  C8x C     2.3966   -0.3207
            20  O1a O     1.6690   -1.5586
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20    7   9 2
            21    8  11 1
            22   16  19 1


entry: C10054
name: --- - Calophyllin B - 6-(3,3-Dimethylallyl)-1,5-dihydroxyxanthone
formula: C18H16O4
kcf:
ATOM        22
            1   C8y C    -0.2000   -0.5241
            2   C8y C    -0.1897    0.3034
            3   C8y C    -0.9138   -0.9379
            4   C8x C     0.5138   -0.9448
            5   O2x O    -0.9069    0.7207
            6   C8y C     0.5310    0.7069
            7   C8y C    -1.6310   -0.5207
            8   O5x O    -0.9172   -1.7690
            9   C8x C     1.2345   -0.5379
            10  C8y C    -1.6276    0.3103
            11  C8y C     1.2414    0.2897
            12  O1a O     0.5379    1.5379
            13  C8y C    -2.3448   -0.9345
            14  C8x C    -2.3448    0.7207
            15  C1b C     1.9517    0.7069
            16  C8x C    -3.0655   -0.5207
            17  O1a O    -2.3414   -1.7655
            18  C8x C    -3.0655    0.3103
            19  C2b C     2.6690    0.2966
            20  C2c C     3.3862    0.7103
            21  C1a C     4.1034    0.3000
            22  C1a C     3.3828    1.5379
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13   10  14 1
            14   11  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   19  20 2
            20   20  21 1
            21   20  22 1
            22    7  10 2
            23    9  11 1
            24   16  18 1


entry: C10055
name: --- - Dehydrocycloguanandin
formula: C18H14O4
kcf:
ATOM        22
            1   C8y C     0.1621    0.0345
            2   C8y C     0.8828    0.4414
            3   C8y C     0.1552   -0.7931
            4   O2x O    -0.5552    0.4517
            5   C8y C     1.5897    0.0207
            6   O2x O     0.8931    1.2655
            7   C8y C    -0.5621   -1.2069
            8   C8x C     0.8655   -1.2138
            9   C8y C    -1.2724    0.0414
            10  C8x C     1.5862   -0.8034
            11  C2x C     2.3103    0.4207
            12  C1z C     1.6138    1.6690
            13  C8y C    -1.2759   -0.7862
            14  O5x O    -0.5655   -2.0379
            15  C8x C    -1.9862    0.4552
            16  C2x C     2.3207    1.2448
            17  C1a C     1.1966    2.3931
            18  C1a C     2.0241    2.3931
            19  C8y C    -1.9862   -1.2034
            20  C8x C    -2.7069    0.0414
            21  C8x C    -2.7069   -0.7862
            22  O1a O    -1.9862   -2.0345
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 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14    9  15 1
            15   11  16 2
            16   12  17 1
            17   12  18 1
            18   13  19 1
            19   15  20 2
            20   19  21 2
            21   19  22 1
            22    8  10 2
            23    9  13 2
            24   12  16 1
            25   20  21 1


entry: C10056
name: --- - Demethylbellidifolin - 1,3,5,8-Tetrahydroxyxanthone
formula: C13H8O6
kcf:
ATOM        19
            1   C8y C    -0.6379    0.5517
            2   C8y C    -0.6414   -0.2759
            3   O2x O     0.0828    0.9621
            4   C8x C    -1.3552    0.9655
            5   C8y C     0.0759   -0.6966
            6   C8y C    -1.3552   -0.6931
            7   C8y C     0.7966    0.5448
            8   C8y C    -2.0759    0.5517
            9   C8y C     0.7897   -0.2828
            10  O5x O     0.0724   -1.5276
            11  C8x C    -2.0759   -0.2759
            12  O1a O    -1.3517   -1.5241
            13  C8y C     1.5138    0.9517
            14  O1a O    -2.7931    0.9655
            15  C8y C     1.5000   -0.7034
            16  C8x C     2.2276    0.5345
            17  O1a O     1.5207    1.7793
            18  C8x C     2.2207   -0.2931
            19  O1a O     1.4931   -1.5310
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     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   13  17 1
            17   15  18 2
            18   15  19 1
            19    7   9 2
            20    8  11 1
            21   16  18 1


entry: C10057
name: --- - Hinokiflavone
formula: C30H18O10
comment: Biflavone
kcf:
ATOM        40
            1   C8y C     2.1793    0.6552
            2   C8y C     2.1828    1.4379
            3   C8y C     1.5069    0.2655
            4   C8y C     2.8517    0.2621
            5   O2x O     2.8586    1.8241
            6   C8x C     1.5069    1.8276
            7   C8y C     0.8310    0.6552
            8   O1a O     1.5103   -0.5138
            9   C8x C     3.5276    0.6517
            10  O5x O     2.8483   -0.5172
            11  C8y C     3.5310    1.4310
            12  C8y C     0.8310    1.4379
            13  O2a O     0.1552    0.2621
            14  C8y C     4.2103    1.8172
            15  O1a O     0.1552    1.8276
            16  C8y C    -0.6310   -0.1552
            17  C8x C     4.8828    1.4241
            18  C8x C     4.2103    2.5966
            19  C8x C    -0.6345   -0.9345
            20  C8x C    -1.3035    0.2379
            21  C8x C     5.5586    1.8103
            22  C8x C     4.8862    2.9828
            23  C8x C    -1.3103   -1.3241
            24  C8x C    -1.9828   -0.1483
            25  C8y C     5.5621    2.5897
            26  C8y C    -1.9828   -0.9276
            27  O1a O     6.2379    2.9759
            28  C8y C    -2.6621   -1.3138
            29  O2x O    -3.3345   -0.9207
            30  C8x C    -2.6621   -2.0966
            31  C8y C    -4.0103   -1.3103
            32  C8y C    -3.3414   -2.4828
            33  C8y C    -4.0138   -2.0897
            34  C8x C    -4.6862   -0.9207
            35  O5x O    -3.3448   -3.2621
            36  C8y C    -4.6862   -2.4793
            37  C8y C    -5.3621   -1.3103
            38  C8x C    -5.3621   -2.0897
            39  O1a O    -4.6828   -3.2586
            40  O1a O    -6.0379   -0.9172
BOND        45
            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 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 2
            17   14  18 1
            18   16  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   19  23 1
            23   20  24 2
            24   21  25 2
            25   23  26 2
            26   25  27 1
            27   26  28 1
            28   28  29 1
            29   28  30 2
            30   29  31 1
            31   30  32 1
            32   31  33 2
            33   31  34 1
            34   32  35 2
            35   33  36 1
            36   34  37 2
            37   36  38 2
            38   36  39 1
            39   37  40 1
            40    7  12 1
            41    9  11 2
            42   22  25 1
            43   24  26 1
            44   32  33 1
            45   37  38 1


entry: C10058
name: --- - Hispidulin - Dinatin - Scutellarein 6-methyl ether
formula: C16H12O6
comment: Flavone
kcf:
ATOM        22
            1   C8y C    -0.6586   -0.6724
            2   C8y C    -0.6552    0.1552
            3   C8y C    -1.3690   -1.0862
            4   C8y C     0.0586   -1.0897
            5   O2x O     0.0655    0.5690
            6   C8x C    -1.3690    0.5724
            7   C8y C    -2.0897   -0.6724
            8   O1a O    -1.3690   -1.9172
            9   C8x C     0.7793   -0.6793
            10  O5x O     0.0552   -1.9172
            11  C8y C     0.7828    0.1483
            12  C8y C    -2.0897    0.1552
            13  O2a O    -2.8034   -1.0862
            14  C8y C     1.5035    0.5621
            15  O1a O    -2.8034    0.5724
            16  C1a C    -3.5241   -0.6759
            17  C8x C     2.2172    0.1414
            18  C8x C     1.5069    1.3897
            19  C8x C     2.9345    0.5552
            20  C8x C     2.2241    1.8000
            21  C8y C     2.9379    1.3828
            22  O1a O     3.6586    1.7931
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 2
            17   14  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21   21  22 1
            22    7  12 1
            23    9  11 2
            24   20  21 1


entry: C10059
name: --- - 6-Deoxyjacareubin
formula: C18H14O5
kcf:
ATOM        23
            1   C8y C     0.2172   -0.3690
            2   C8y C     0.2241    0.4552
            3   C8y C     0.9310   -0.7931
            4   C8y C    -0.5000   -0.7862
            5   C8x C    -0.4931    0.8724
            6   O2x O     0.9448    0.8621
            7   C8y C     1.6414   -0.3828
            8   O5x O     0.9241   -1.6207
            9   C8y C    -1.2172   -0.3655
            10  O1a O    -0.5000   -1.6138
            11  C8y C    -1.2138    0.4621
            12  C8y C     1.6552    0.4448
            13  C8x C     2.3517   -0.8103
            14  C2x C    -1.9276   -0.7828
            15  O2x O    -1.9276    0.8759
            16  C8y C     2.3759    0.8448
            17  C8x C     3.0759   -0.4034
            18  C2x C    -2.6483   -0.3655
            19  C1z C    -2.6483    0.4621
            20  C8x C     3.0862    0.4241
            21  O1a O     2.3897    1.6724
            22  C1a C    -3.3690    0.0517
            23  C1a C    -3.3690    0.8759
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 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   16  21 1
            21   19  22 1
            22   19  23 1
            23    7  12 2
            24    9  11 1
            25   17  20 1
            26   18  19 1


entry: C10060
name: --- - 3,5-Dimethoxy-1,6-dihydroxyxanthone
formula: C15H12O6
kcf:
ATOM        21
            1   C8y C    -0.6517   -0.5276
            2   C8y C    -0.6483    0.3000
            3   C8y C     0.0655   -0.9448
            4   C8y C    -1.3655   -0.9414
            5   O2x O     0.0724    0.7138
            6   C8x C    -1.3655    0.7172
            7   C8y C     0.7793   -0.5310
            8   O5x O     0.0655   -1.7724
            9   C8x C    -2.0828   -0.5276
            10  O1a O    -1.3621   -1.7690
            11  C8y C     0.7862    0.2966
            12  C8y C    -2.0828    0.3000
            13  C8x C     1.4897   -0.9483
            14  C8y C     1.5069    0.7034
            15  O2a O    -2.8034    0.7172
            16  C8x C     2.2103   -0.5448
            17  C8y C     2.2172    0.2828
            18  O2a O     1.5138    1.5345
            19  C1a C    -3.5207    0.3034
            20  O1a O     2.9414    0.6931
            21  C1a C     2.2345    1.9379
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 2
            16   14  17 2
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   18  21 1
            21    7  11 2
            22    9  12 1
            23   16  17 1


entry: C10061
name: --- - Euxanthone - 1,7-Dihydroxyxanthone
formula: C13H8O4
kcf:
ATOM        17
            1   C8y C    -0.8000    0.6621
            2   C8y C    -0.8034   -0.1655
            3   O2x O    -0.0793    1.0759
            4   C8x C    -1.5138    1.0793
            5   C8y C    -0.0897   -0.5828
            6   C8y C    -1.5138   -0.5793
            7   C8y C     0.6345    0.6586
            8   C8x C    -2.2345    0.6621
            9   C8y C     0.6276   -0.1690
            10  O5x O    -0.0897   -1.4103
            11  C8x C    -2.2345   -0.1655
            12  O1a O    -1.5103   -1.4069
            13  C8x C     1.3552    1.0655
            14  C8x C     1.3414   -0.5862
            15  C8x C     2.0690    0.6448
            16  C8y C     2.0621   -0.1828
            17  O1a O     2.7759   -0.6000
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 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   13  15 2
            15   14  16 2
            16   16  17 1
            17    7   9 2
            18    8  11 1
            19   15  16 1


entry: C10062
name: --- - Gambogic acid
formula: C38H44O8
kcf:
ATOM        46
            1   O6a O     6.9000  -10.5417
            2   C6a C     7.6061  -10.1333
            3   C2c C     8.3164  -10.5417
            4   C1a C     9.0226  -10.1333
            5   C2b C     8.3164  -11.3583
            6   O6a O     7.6061   -9.3167
            7   C1b C     7.6895  -11.9292
            8   C1z C     6.9458  -11.9250
            9   C1z C     6.1605  -12.4957
            10  C2y C     6.1536  -13.3267
            11  C1y C     6.9570  -12.7053
            12  O2x O     5.4536  -12.0819
            13  C5x C     7.7310  -12.5046
            14  O2x O     6.5777  -11.1029
            15  C5x C     5.4398  -13.7371
            16  C2x C     6.8633  -13.7509
            17  C1z C     6.2857  -11.7651
            18  C1x C     6.7805  -13.1191
            19  C8y C     4.7288  -12.4888
            20  C1y C     7.5874  -13.3405
            21  O5x O     8.4747  -12.5059
            22  C8y C     4.7219  -13.3129
            23  O5x O     5.4329  -14.5647
            24  C1a C     5.6642  -11.3089
            25  C1a C     7.1154  -11.4311
            26  C8y C     4.0115  -12.0716
            27  C8y C     4.0046  -13.7302
            28  C8y C     3.2949  -12.4819
            29  C1b C     4.0046  -11.2405
            30  C8y C     3.2915  -13.3095
            31  O1a O     4.0012  -14.5612
            32  O2x O     2.5777  -12.0681
            33  C2b C     3.2949  -10.8267
            34  C2x C     2.5777  -13.7267
            35  C1z C     1.8564  -12.4819
            36  C2c C     3.2949  -10.0026
            37  C2x C     1.8564  -13.3095
            38  C1b C     1.1391  -12.0681
            39  C1a C     1.1357  -12.8922
            40  C1a C     2.5742   -9.5888
            41  C1a C     4.0046   -9.5888
            42  C1b C     0.4225  -12.4784
            43  C2b C    -0.2913  -12.0647
            44  C2c C    -1.0161  -12.4784
            45  C1a C    -1.7250  -12.0647
            46  C1a C    -1.0161  -13.3060
BOND        51
            1     3   4 1
            2     8   7 1
            3     3   5 2
            4     2   3 1
            5     2   6 2
            6     1   2 1
            7     5   7 1
            8     9   8 1 #Down
            9     9  10 1
            10    9  11 1 #Up
            11    9  12 1
            12    8  13 1
            13    8  14 1
            14   10  15 1
            15   10  16 2
            16   11  17 1
            17   11  18 1
            18   12  19 1
            19   20  13 1 #Down
            20   13  21 2
            21   15  22 1
            22   15  23 2
            23   17  24 1
            24   17  25 1
            25   19  26 1
            26   22  27 1
            27   26  28 2
            28   26  29 1
            29   27  30 2
            30   27  31 1
            31   28  32 1
            32   29  33 1
            33   30  34 1
            34   32  35 1
            35   33  36 2
            36   34  37 2
            37   35  38 1 #Up
            38   35  39 1 #Down
            39   36  40 1
            40   36  41 1
            41   38  42 1
            42   42  43 1
            43   43  44 2
            44   44  45 1
            45   44  46 1
            46   14  17 1
            47   16  20 1
            48   20  18 1 #Up
            49   19  22 2
            50   28  30 1
            51   35  37 1


entry: C10063
name: --- - Gartanin - 1,3,5,8-Tetrahydroxy-2,4-diprenylxanthone
formula: C23H24O6
kcf:
ATOM        29
            1   C8y C     0.1690   -0.6379
            2   C8y C     0.1724    0.1897
            3   C8y C     0.8862   -1.0586
            4   C8y C    -0.5448   -1.0552
            5   C8y C    -0.5448    0.6034
            6   O2x O     0.8931    0.6000
            7   C8y C     1.6035   -0.6414
            8   O5x O     0.8828   -1.8862
            9   C8y C    -1.2655   -0.6379
            10  O1a O    -0.5414   -1.8828
            11  C8y C    -1.2655    0.1897
            12  C1b C    -0.5414    1.4310
            13  C8y C     1.6103    0.1862
            14  C8y C     2.3138   -1.0655
            15  C1b C    -1.9759   -1.0552
            16  O1a O    -1.9793    0.6034
            17  C2b C     0.1759    1.8483
            18  C8y C     2.3310    0.5897
            19  C8x C     3.0345   -0.6552
            20  O1a O     2.3069   -1.8931
            21  C2b C    -2.6931   -0.6379
            22  C2c C     0.1759    2.6759
            23  C8x C     3.0448    0.1724
            24  O1a O     2.3379    1.4172
            25  C2c C    -3.4103   -1.0552
            26  C1a C     0.8966    3.0897
            27  C1a C    -0.5414    3.0897
            28  C1a C    -4.1276   -0.6379
            29  C1a C    -3.4103   -1.8828
BOND        31
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 2
            19   14  20 1
            20   15  21 1
            21   17  22 2
            22   18  23 2
            23   18  24 1
            24   21  25 2
            25   22  26 1
            26   22  27 1
            27   25  28 1
            28   25  29 1
            29    7  13 2
            30    9  11 1
            31   19  23 1


entry: C10064
name: --- - Gentiacaulein - 2,8-Dihydroxy-1,6-dimethoxyxanthone
formula: C15H12O6
kcf:
ATOM        21
            1   C8y C    -0.7862   -0.0931
            2   C8y C    -0.7828    0.7379
            3   C8y C    -0.0724   -0.5069
            4   C8y C    -1.5000   -0.5069
            5   O2x O    -0.0655    1.1483
            6   C8x C    -1.5000    1.1517
            7   C8y C     0.6448   -0.0966
            8   O5x O    -0.0759   -1.3379
            9   C8y C    -2.2172   -0.0931
            10  O2a O    -1.4966   -1.3345
            11  C8y C     0.6517    0.7310
            12  C8x C    -2.2172    0.7379
            13  C8y C     1.3552   -0.5138
            14  O1a O    -2.9379   -0.5069
            15  C1a C    -2.2138   -1.7517
            16  C8x C     1.3724    1.1379
            17  C8x C     2.0759   -0.1103
            18  O1a O     1.3483   -1.3448
            19  C8y C     2.0862    0.7172
            20  O2a O     2.8069    1.1276
            21  C1a C     3.5207    0.7034
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 2
            17   13  18 1
            18   16  19 2
            19   19  20 1
            20   20  21 1
            21    7  11 2
            22    9  12 1
            23   17  19 1


entry: C10065
name: --- - Gentisein - 1,3,7-Trihydroxyxanthone
formula: C13H8O5
kcf:
ATOM        18
            1   C8y C    -0.6345    0.6034
            2   C8y C    -0.6379   -0.2276
            3   O2x O     0.0828    1.0172
            4   C8x C    -1.3517    1.0207
            5   C8y C     0.0759   -0.6414
            6   C8y C    -1.3517   -0.6379
            7   C8y C     0.8000    0.5966
            8   C8y C    -2.0724    0.6034
            9   C8y C     0.7931   -0.2310
            10  O5x O     0.0759   -1.4690
            11  C8x C    -2.0724   -0.2276
            12  O1a O    -1.3517   -1.4690
            13  C8x C     1.5207    1.0069
            14  O1a O    -2.7862    1.0207
            15  C8x C     1.5069   -0.6483
            16  C8x C     2.2345    0.5828
            17  C8y C     2.2276   -0.2414
            18  O1a O     2.9379   -0.6621
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   15  17 2
            17   17  18 1
            18    7   9 2
            19    8  11 1
            20   16  17 1


entry: C10066
name: --- - Gentisin - 1,7-Dihydroxy-3-methoxyxanthone
formula: C14H10O5
kcf:
ATOM        19
            1   C8y C    -0.4517   -0.2586
            2   C8y C    -0.4483    0.5724
            3   C8y C     0.2621   -0.6724
            4   C8y C    -1.1655   -0.6690
            5   O2x O     0.2690    0.9862
            6   C8x C    -1.1655    0.9897
            7   C8y C     0.9759   -0.2621
            8   O5x O     0.2621   -1.5035
            9   C8x C    -1.8862   -0.2586
            10  O1a O    -1.1655   -1.5000
            11  C8y C     0.9828    0.5655
            12  C8y C    -1.8862    0.5724
            13  C8x C     1.6897   -0.6793
            14  C8x C     1.7035    0.9759
            15  O2a O    -2.6034    0.9897
            16  C8y C     2.4103   -0.2759
            17  C8x C     2.4172    0.5517
            18  C1a C    -3.3241    0.5724
            19  O1a O     3.1241   -0.6931
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 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 2
            16   14  17 2
            17   15  18 1
            18   16  19 1
            19    7  11 2
            20    9  12 1
            21   16  17 1


entry: C10067
name: --- - Irisxanthone
formula: C20H20O11
kcf:
ATOM        31
            1   C8y C    17.0417  -13.6607
            2   C8y C    17.0451  -12.8331
            3   C8y C    16.3314  -14.0745
            4   C8y C    17.7589  -14.0779
            5   O2x O    17.7658  -12.4193
            6   C8x C    16.3314  -12.4158
            7   C8y C    15.6107  -13.6607
            8   O1a O    16.3314  -14.9020
            9   C8y C    18.4762  -13.6641
            10  O5x O    17.7589  -14.9055
            11  C8y C    18.4831  -12.8365
            12  C8y C    15.6107  -12.8331
            13  C1y C    14.8900  -14.0745
            14  C8x C    19.1831  -14.0814
            15  C8y C    19.2003  -12.4296
            16  O1a O    14.8900  -12.4158
            17  O2x O    14.1693  -13.6607
            18  C1y C    14.8900  -14.9055
            19  C8x C    19.9038  -13.6779
            20  C8y C    19.9141  -12.8503
            21  O2a O    19.2072  -11.5986
            22  C1y C    13.4520  -14.0745
            23  C1y C    14.1693  -15.3227
            24  O1a O    15.6107  -15.3193
            25  O1a O    20.6348  -12.4400
            26  C1a C    19.9279  -11.1917
            27  C1y C    13.4520  -14.9055
            28  C1b C    12.7348  -13.6641
            29  O1a O    14.1727  -16.1538
            30  O1a O    12.7348  -15.3227
            31  O1a O    12.0141  -14.0779
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 1
            11    6  12 2
            12   13   7 1 #Up
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   13  18 1
            18   14  19 2
            19   15  20 2
            20   15  21 1
            21   17  22 1
            22   18  23 1
            23   18  24 1 #Down
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   27  30 1 #Down
            30   28  31 1
            31    7  12 1
            32    9  11 2
            33   19  20 1
            34   23  27 1


entry: C10068
name: --- - 6-Hydroxykaempferol
formula: C15H10O7
comment: Flavonol
kcf:
ATOM        22
            1   C8y C    -0.8793   -0.6552
            2   C8y C    -0.8793    0.1724
            3   C8y C    -0.1690   -1.0724
            4   C8y C    -1.5966   -1.0655
            5   O2x O    -0.1621    0.5828
            6   C8x C    -1.5966    0.5862
            7   C8y C     0.5552   -0.6621
            8   O5x O    -0.1724   -1.9000
            9   C8y C    -2.3138   -0.6586
            10  O1a O    -1.5966   -1.8966
            11  C8y C     0.5552    0.1690
            12  C8y C    -2.3172    0.1724
            13  O1a O     1.2655   -1.0759
            14  O1a O    -3.0276   -1.0759
            15  C8y C     1.2724    0.5828
            16  O1a O    -3.0310    0.5828
            17  C8x C     1.2724    1.4069
            18  C8x C     1.9862    0.1655
            19  C8x C     1.9862    1.8241
            20  C8x C     2.7069    0.5828
            21  C8y C     2.7069    1.4069
            22  O1a O     3.4241    1.8276
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   15  17 1
            17   15  18 2
            18   17  19 2
            19   18  20 1
            20   19  21 1
            21   21  22 1
            22    7  11 2
            23    9  12 1
            24   20  21 2


entry: C10069
name: --- - Isoathyriol - 6-Methoxy-1,3,7-trihydroxyxanthone
formula: C14H10O6
kcf:
ATOM        20
            1   C8y C    -0.9655    0.5241
            2   C8y C    -0.9690   -0.3034
            3   O2x O    -0.2483    0.9379
            4   C8x C    -1.6828    0.9414
            5   C8y C    -0.2552   -0.7207
            6   C8y C    -1.6828   -0.7172
            7   C8y C     0.4690    0.5172
            8   C8y C    -2.4000    0.5241
            9   C8y C     0.4621   -0.3069
            10  O5x O    -0.2586   -1.5483
            11  C8x C    -2.4000   -0.3034
            12  O1a O    -1.6793   -1.5448
            13  C8x C     1.1897    0.9276
            14  O1a O    -3.1207    0.9414
            15  C8x C     1.1724   -0.7276
            16  C8y C     1.9000    0.5069
            17  C8y C     1.8931   -0.3207
            18  O2a O     2.6241    0.9172
            19  O1a O     2.6103   -0.7414
            20  C1a C     3.3379    0.4931
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   15  17 2
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    7   9 2
            21    8  11 1
            22   16  17 1


entry: C10070
name: --- - Isogentisin - 1,3-Dihydroxy--7-methoxyxanthone
formula: C14H10O5
kcf:
ATOM        19
            1   C8y C    -0.8276    0.6172
            2   C8y C    -0.8310   -0.2138
            3   O2x O    -0.1103    1.0310
            4   C8x C    -1.5414    1.0345
            5   C8y C    -0.1172   -0.6276
            6   C8y C    -1.5414   -0.6241
            7   C8y C     0.6069    0.6103
            8   C8y C    -2.2621    0.6172
            9   C8y C     0.6000   -0.2172
            10  O5x O    -0.1172   -1.4586
            11  C8x C    -2.2621   -0.2138
            12  O1a O    -1.5414   -1.4552
            13  C8x C     1.3276    1.0207
            14  O1a O    -2.9828    1.0345
            15  C8x C     1.3138   -0.6345
            16  C8x C     2.0414    0.5966
            17  C8y C     2.0310   -0.2276
            18  O2a O     2.7483   -0.6483
            19  C1a C     3.4690   -0.2414
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     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   15  17 2
            17   17  18 1
            18   18  19 1
            19    7   9 2
            20    8  11 1
            21   16  17 1


entry: C10071
name: --- - 1-Isomangostin
formula: C24H26O6
kcf:
ATOM        30
            1   C8y C    -0.8034    0.4655
            2   C8y C    -1.5138    0.0517
            3   C8y C    -0.8000    1.2931
            4   C8y C    -0.0897    0.0483
            5   C8y C    -2.2345    0.4655
            6   O2x O    -1.5138   -0.7793
            7   O2x O    -0.0828    1.7069
            8   C8x C    -1.5138    1.7103
            9   C8y C     0.6276    0.4621
            10  O5x O    -0.0931   -0.7793
            11  C8y C    -2.2345    1.2931
            12  C1x C    -2.9552    0.0517
            13  C1z C    -2.2345   -1.1966
            14  C8y C     0.6345    1.2897
            15  C8y C     1.3379    0.0414
            16  O1a O    -2.9552    1.7103
            17  C1x C    -2.9552   -0.7793
            18  C1a C    -2.8276   -1.7793
            19  C1a C    -1.8276   -1.9103
            20  C8x C     1.3552    1.6965
            21  C8y C     2.0586    0.4483
            22  C1b C     1.3310   -0.7862
            23  C8y C     2.0690    1.2759
            24  O2a O     2.7759    0.0276
            25  C2b C     2.0483   -1.2103
            26  O1a O     2.7897    1.6862
            27  C1a C     3.4966    0.4345
            28  C2c C     2.0379   -2.0379
            29  C1a C     2.7552   -2.4586
            30  C1a C     1.3172   -2.4448
BOND        33
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   13  19 1
            19   14  20 1
            20   15  21 2
            21   15  22 1
            22   20  23 2
            23   21  24 1
            24   22  25 1
            25   23  26 1
            26   24  27 1
            27   25  28 2
            28   28  29 1
            29   28  30 1
            30    8  11 2
            31    9  14 2
            32   13  17 1
            33   21  23 1


entry: C10072
name: --- - 6-Hydroxyluteolin - 5,6,7,3',4'-Pentahydroxyflavone
formula: C15H10O7
comment: Flavone
kcf:
ATOM        22
            1   C8y C    -0.9138   -0.8276
            2   C8y C    -0.9103    0.0034
            3   C8y C    -0.2000   -1.2414
            4   C8y C    -1.6276   -1.2379
            5   O2x O    -0.1931    0.4138
            6   C8x C    -1.6276    0.4138
            7   C8x C     0.5207   -0.8310
            8   O5x O    -0.2034   -2.0724
            9   C8y C    -2.3448   -0.8310
            10  O1a O    -1.6276   -2.0655
            11  C8y C     0.5241   -0.0034
            12  C8y C    -2.3483    0.0034
            13  O1a O    -3.0621   -1.2448
            14  C8y C     1.2414    0.4138
            15  O1a O    -3.0655    0.4138
            16  C8x C     1.2414    1.2379
            17  C8x C     1.9552   -0.0034
            18  C8y C     1.9552    1.6552
            19  C8x C     2.6759    0.4138
            20  C8y C     2.6759    1.2379
            21  O1a O     1.9517    2.4793
            22  O1a O     3.3897    1.6552
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    9  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 2
            17   16  18 2
            18   17  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 1
            22    7  11 2
            23    9  12 1
            24   19  20 2


entry: C10073
name: --- - Hyperin - Quercetin 3-galactoside
formula: C21H20O12
comment: Flavonol O-glycoside
kcf:
ATOM        33
            1   C8y C    -0.6103    0.7724
            2   C8y C    -0.6138   -0.0517
            3   C8y C     0.1034    1.1828
            4   O2x O    -1.3241    1.1828
            5   C8y C    -1.3276   -0.4621
            6   O2a O     0.0931   -0.4690
            7   C8x C     0.1034    2.0035
            8   C8x C     0.8138    0.7724
            9   C8y C    -2.0345    0.7759
            10  C8y C    -2.0379   -0.0483
            11  O5x O    -1.3345   -1.2862
            12  C1y C     0.9655   -0.9517
            13  C8y C     0.8138    2.4207
            14  C8x C     1.5276    1.1828
            15  C8x C    -2.7483    1.1862
            16  C8y C    -2.7483   -0.4586
            17  O2x O     0.9690   -1.7724
            18  C1y C     1.6724   -0.5414
            19  C8y C     1.5276    2.0035
            20  O1a O     0.8103    3.2414
            21  C8y C    -3.4655    0.7759
            22  C8x C    -3.4621   -0.0517
            23  O1a O    -2.7483   -1.2828
            24  C1y C     1.6828   -2.1793
            25  C1y C     2.3862   -0.9448
            26  O1a O     1.6690    0.2828
            27  O1a O     2.2448    2.4207
            28  O1a O    -4.1828    1.1828
            29  C1y C     2.3897   -1.7655
            30  C1b C     1.6862   -3.0000
            31  O1a O     3.1000   -0.5345
            32  O1a O     3.1034   -2.1759
            33  O1a O     0.9759   -3.4138
BOND        36
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11   12   6 1 #Up
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   12  17 1
            17   12  18 1
            18   13  19 1
            19   13  20 1
            20   15  21 2
            21   16  22 2
            22   16  23 1
            23   17  24 1
            24   18  25 1
            25   18  26 1 #Down
            26   19  27 1
            27   21  28 1
            28   24  29 1
            29   24  30 1 #Up
            30   25  31 1 #Up
            31   29  32 1 #Up
            32   30  33 1
            33    9  10 2
            34   14  19 2
            35   21  22 1
            36   25  29 1


entry: C10074
name: --- - Jacareubin
formula: C18H14O6
kcf:
ATOM        24
            1   C8y C     0.0552   -0.4103
            2   C8y C     0.0621    0.4207
            3   C8y C     0.7724   -0.8276
            4   C8y C    -0.6552   -0.8241
            5   C8x C    -0.6552    0.8345
            6   O2x O     0.7793    0.8310
            7   C8y C     1.4897   -0.4138
            8   O5x O     0.7724   -1.6586
            9   C8y C    -1.3759   -0.4103
            10  O1a O    -0.6552   -1.6552
            11  C8y C    -1.3759    0.4207
            12  C8y C     1.4966    0.4138
            13  C8x C     2.2034   -0.8345
            14  C2x C    -2.0931   -0.8241
            15  O2x O    -2.0931    0.8345
            16  C8y C     2.2172    0.8207
            17  C8x C     2.9241   -0.4241
            18  C2x C    -2.8103   -0.4103
            19  C1z C    -2.8103    0.4207
            20  C8y C     2.9310    0.4000
            21  O1a O     2.2241    1.6483
            22  C1a C    -3.5276    0.8345
            23  C1a C    -3.5310    0.0069
            24  O1a O     3.6483    0.8069
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   16  21 1
            21   19  22 1
            22   19  23 1
            23   20  24 1
            24    7  12 2
            25    9  11 1
            26   17  20 1
            27   18  19 1


entry: C10075
name: --- - Lancerin - 4-C-Glucosyl-1,3,7-trihydroxyxanthone
formula: C19H18O10
kcf:
ATOM        29
            1   C1y C     3.3522  -11.6822
            2   O2x O     4.0703  -11.2704
            3   C1y C     4.0703  -10.4393
            4   C1y C     3.3505  -10.0237
            5   C1y C     2.6308  -10.4393
            6   C1y C     2.6308  -11.2704
            7   C8y C     3.3522  -12.5133
            8   C8y C     4.0694  -12.9305
            9   C8y C     4.0659  -13.7581
            10  O2x O     4.7832  -12.5167
            11  C8y C     2.6315  -12.9305
            12  C8y C     4.7763  -14.1753
            13  C8y C     3.3522  -14.1719
            14  C8y C     5.5004  -12.9339
            15  C8x C     2.6315  -13.7581
            16  O1a O     1.9142  -12.5133
            17  C8y C     5.4935  -13.7615
            18  O5x O     4.7763  -15.0029
            19  O1a O     3.3522  -14.9995
            20  C8x C     6.2211  -12.5270
            21  C8x C     6.2073  -14.1788
            22  C8x C     6.9349  -12.9477
            23  C8y C     6.9280  -13.7753
            24  O1a O     7.6418  -14.1926
            25  O1a O     1.9173  -11.6846
            26  O1a O     1.9163  -10.0268
            27  O1a O     3.3505   -9.1987
            28  C1b C     4.7848  -10.0268
            29  O1a O     4.7848   -9.2018
BOND        32
            1     1   7 1 #Up
            2     1   2 1
            3     8   7 1
            4     8   9 2
            5     8  10 1
            6     7  11 2
            7     9  12 1
            8     9  13 1
            9    10  14 1
            10   11  15 1
            11   11  16 1
            12   12  17 1
            13   12  18 2
            14   13  19 1
            15   14  20 1
            16   17  21 1
            17   20  22 2
            18   21  23 2
            19   23  24 1
            20   13  15 2
            21   14  17 2
            22   22  23 1
            23    2   3 1
            24    6  25 1 #Down
            25    3   4 1
            26    5  26 1 #Up
            27    4   5 1
            28    4  27 1 #Down
            29    5   6 1
            30    3  28 1 #Up
            31    6   1 1
            32   28  29 1


entry: C10076
name: --- - Macluraxanthone
formula: C23H22O6
kcf:
ATOM        29
            1   C8y C    -0.5414    0.4897
            2   C8y C     0.1724    0.0759
            3   C8y C    -1.2621    0.0759
            4   C1d C    -0.5414    1.3172
            5   C8y C     0.1690   -0.7517
            6   O2x O     0.8931    0.4862
            7   C8y C    -1.2621   -0.7517
            8   O2x O    -1.9828    0.4897
            9   C2b C    -1.2586    1.7345
            10  C1a C     0.1759    0.9069
            11  C1a C     0.1759    1.7379
            12  C8y C    -0.5414   -1.1690
            13  C8y C     0.8862   -1.1724
            14  C8y C     1.6103    0.0690
            15  C2x C    -1.9828   -1.1690
            16  C1z C    -2.6966    0.0759
            17  C2a C    -1.2586    2.5655
            18  O1a O    -0.5414   -2.0000
            19  C8y C     1.6035   -0.7552
            20  O5x O     0.8862   -2.0035
            21  C8y C     2.3310    0.4759
            22  C2x C    -2.6966   -0.7517
            23  C1a C    -3.4138    0.4897
            24  C1a C    -3.4172   -0.3379
            25  C8x C     2.3172   -1.1793
            26  C8y C     3.0448    0.0586
            27  O1a O     2.3379    1.3035
            28  C8x C     3.0379   -0.7690
            29  O1a O     3.7621    0.4621
BOND        32
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    7  15 1
            15    8  16 1
            16    9  17 2
            17   12  18 1
            18   13  19 1
            19   13  20 2
            20   14  21 1
            21   15  22 2
            22   16  23 1
            23   16  24 1
            24   19  25 1
            25   21  26 2
            26   21  27 1
            27   25  28 2
            28   26  29 1
            29    7  12 2
            30   14  19 2
            31   16  22 1
            32   26  28 1


entry: C10077
name: --- - Mangiferin
formula: C19H18O11
kcf:
ATOM        30
            1   C8y C    17.0315  -13.9000
            2   C8y C    17.0349  -13.0724
            3   C8y C    16.3211  -14.3172
            4   C8y C    17.7487  -14.3207
            5   O2x O    17.7556  -12.6621
            6   C8x C    16.3211  -12.6586
            7   C8y C    15.6004  -13.9000
            8   O1a O    16.3211  -15.1448
            9   C8y C    18.4659  -13.9034
            10  O5x O    17.7487  -15.1483
            11  C8y C    18.4728  -13.0759
            12  C8y C    15.6004  -13.0724
            13  C1y C    14.8797  -14.3172
            14  C8x C    19.1763  -14.3276
            15  C8x C    19.1901  -12.6724
            16  O1a O    14.8797  -12.6586
            17  O2x O    14.1591  -13.9000
            18  C1y C    14.8797  -15.1483
            19  C8y C    19.8935  -13.9172
            20  C8y C    19.9039  -13.0897
            21  C1y C    13.4418  -14.3172
            22  C1y C    14.1591  -15.5621
            23  O1a O    15.6004  -15.5586
            24  O1a O    20.6108  -14.3414
            25  O1a O    20.6246  -12.6828
            26  C1y C    13.4418  -15.1483
            27  C1b C    12.7246  -13.9034
            28  O1a O    14.1625  -16.3931
            29  O1a O    12.7246  -15.5621
            30  O1a O    12.0039  -14.3207
BOND        33
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12   13   7 1 #Up
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   13  18 1
            18   14  19 2
            19   15  20 2
            20   17  21 1
            21   18  22 1
            22   18  23 1 #Down
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 1 #Up
            28   26  29 1 #Down
            29   27  30 1
            30    7  12 1
            31    9  11 2
            32   19  20 1
            33   22  26 1


entry: C10078
name: --- - Hypolaetin - 8-Hydroxyluteolin
formula: C15H10O7
comment: Flavone
kcf:
ATOM        22
            1   C8y C    -0.9759   -0.9379
            2   C8y C    -0.9724   -0.1069
            3   C8y C    -0.2621   -1.3552
            4   C8y C    -1.6931   -1.3517
            5   O2x O    -0.2586    0.3000
            6   C8y C    -1.6931    0.3000
            7   C8x C     0.4552   -0.9414
            8   O5x O    -0.2690   -2.1862
            9   C8x C    -2.4103   -0.9414
            10  O1a O    -1.6897   -2.1793
            11  C8y C     0.4552   -0.1138
            12  C8y C    -2.4103   -0.1069
            13  O1a O    -1.6931    1.1310
            14  C8y C     1.1724    0.3000
            15  O1a O    -3.1345    0.3000
            16  C8x C     1.1724    1.1241
            17  C8x C     1.8862   -0.1138
            18  C8y C     1.8862    1.5448
            19  C8x C     2.6069    0.3000
            20  C8y C     2.6069    1.1241
            21  O1a O     1.8862    2.3690
            22  O1a O     3.3276    1.5448
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 2
            17   16  18 2
            18   17  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 1
            22    7  11 2
            23    9  12 1
            24   19  20 2


entry: C10079
name: --- - Isoetin - 5,7,2',4',5'-Pentahydroxyflavone
formula: C15H10O7
comment: Flavone
kcf:
ATOM        22
            1   C8y C    -1.1345   -0.0138
            2   C8y C    -1.1379   -0.8414
            3   O2x O    -0.4207    0.3931
            4   C8x C    -1.8552    0.3966
            5   C8y C    -0.4241   -1.2621
            6   C8y C    -1.8552   -1.2586
            7   C8y C     0.2931   -0.0172
            8   C8y C    -2.5759   -0.0138
            9   C8x C     0.2897   -0.8483
            10  O5x O    -0.4310   -2.0897
            11  C8x C    -2.5724   -0.8483
            12  O1a O    -1.8552   -2.0862
            13  C8y C     1.0103    0.3931
            14  O1a O    -3.2966    0.3931
            15  C8y C     1.7241   -0.0207
            16  C8x C     1.0103    1.2172
            17  C8x C     2.4448    0.3931
            18  O1a O     1.7241   -0.8448
            19  C8y C     1.7241    1.6379
            20  C8y C     2.4448    1.2172
            21  O1a O     1.7241    2.4655
            22  O1a O     3.1655    1.6414
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   13  15 2
            15   13  16 1
            16   15  17 1
            17   15  18 1
            18   16  19 2
            19   17  20 2
            20   19  21 1
            21   20  22 1
            22    7   9 2
            23    8  11 1
            24   19  20 1


entry: C10080
name: --- - Mangostin
formula: C24H26O6
kcf:
ATOM        30
            1   C8y C     0.8862    0.2655
            2   C8y C     0.8931    1.0931
            3   C8y C     1.6000   -0.1517
            4   C8y C     0.1690   -0.1448
            5   O2x O     0.1759    1.5138
            6   C8x C     1.6138    1.5035
            7   C8y C     2.3138    0.2517
            8   C1b C     1.5931   -0.9828
            9   C8y C    -0.5483    0.2690
            10  O5x O     0.1690   -0.9759
            11  C8y C    -0.5448    1.1000
            12  C8y C     2.3241    1.0793
            13  O2a O     3.0310   -0.1655
            14  C2b C     2.3034   -1.4034
            15  C8y C    -1.2586   -0.1414
            16  C8x C    -1.2586    1.5138
            17  O1a O     3.0448    1.4897
            18  C1a C     3.7517    0.2414
            19  C2c C     2.2931   -2.2345
            20  C8y C    -1.9793    0.2690
            21  O1a O    -1.2586   -0.9724
            22  C8y C    -1.9793    1.1000
            23  C1a C     3.0103   -2.6517
            24  C1a C     1.5759   -2.6379
            25  C1b C    -2.7000   -0.1448
            26  O1a O    -2.7000    1.5172
            27  C2b C    -3.4138    0.2655
            28  C2c C    -4.1310   -0.1483
            29  C1a C    -4.8483    0.2621
            30  C1a C    -4.1276   -0.9759
BOND        32
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 2
            19   15  20 2
            20   15  21 1
            21   16  22 2
            22   19  23 1
            23   19  24 1
            24   20  25 1
            25   22  26 1
            26   25  27 1
            27   27  28 2
            28   28  29 1
            29   28  30 1
            30    7  12 1
            31    9  11 2
            32   20  22 1


entry: C10081
name: --- - Mesuaxanthone A - 1,5-Dihydroxy-3-methoxyxanthone
formula: C14H10O5
kcf:
ATOM        19
            1   C8y C    -0.3793    0.4414
            2   C8y C    -0.3828   -0.3862
            3   O2x O     0.3414    0.8517
            4   C8x C    -1.0931    0.8552
            5   C8y C     0.3345   -0.8069
            6   C8y C    -1.0931   -0.8034
            7   C8y C     1.0586    0.4345
            8   C8y C    -1.8103    0.4414
            9   C8y C     1.0517   -0.3897
            10  O5x O     0.3345   -1.6345
            11  C8x C    -1.8103   -0.3862
            12  O1a O    -1.0931   -1.6310
            13  C8y C     1.7793    0.8414
            14  O2a O    -2.5276    0.8552
            15  C8x C     1.7655   -0.8138
            16  C8x C     2.4931    0.4241
            17  O1a O     1.7862    1.6690
            18  C1a C    -3.2483    0.4414
            19  C8x C     2.4862   -0.4034
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     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19    7   9 2
            20    8  11 1
            21   16  19 1


entry: C10082
name: --- - Mesuaxanthone B - 1,5,6-Trihydroxyxanthone
formula: C13H8O5
kcf:
ATOM        18
            1   C8y C     0.5517   -0.3655
            2   C8y C     0.5586    0.4621
            3   C8y C    -0.1655   -0.7793
            4   C8x C     1.2655   -0.7862
            5   O2x O    -0.1586    0.8793
            6   C8y C     1.2793    0.8655
            7   C8y C    -0.8828   -0.3621
            8   O5x O    -0.1655   -1.6103
            9   C8x C     1.9862   -0.3793
            10  C8y C    -0.8793    0.4690
            11  C8y C     1.9931    0.4483
            12  O1a O     1.2862    1.6965
            13  C8y C    -1.5897   -0.7759
            14  C8x C    -1.5897    0.8793
            15  O1a O     2.7138    0.8552
            16  C8x C    -2.3103   -0.3621
            17  O1a O    -1.5897   -1.6069
            18  C8x C    -2.3103    0.4690
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13   10  14 1
            14   11  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 2
            18    7  10 2
            19    9  11 1
            20   16  18 1


entry: C10083
name: --- - 2-O-Methylswertianin - 1,8-Dihydroxy-2,6-dimethoxyxanthone
formula: C15H12O6
kcf:
ATOM        21
            1   C8y C    -0.7207   -0.1724
            2   C8y C    -0.7172    0.6586
            3   C8y C    -0.0034   -0.5862
            4   C8y C    -1.4310   -0.5828
            5   O2x O     0.0034    1.0724
            6   C8x C    -1.4310    1.0724
            7   C8y C     0.7138   -0.1759
            8   O5x O    -0.0034   -1.4172
            9   C8y C    -2.1517   -0.1724
            10  O1a O    -1.4310   -1.4138
            11  C8y C     0.7207    0.6517
            12  C8x C    -2.1517    0.6586
            13  C8y C     1.4276   -0.5931
            14  O2a O    -2.8655   -0.5862
            15  C8x C     1.4414    1.0621
            16  C8x C     2.1483   -0.1897
            17  O1a O     1.4207   -1.4241
            18  C1a C    -3.5862   -0.1724
            19  C8y C     2.1552    0.6379
            20  O2a O     2.8724    1.0483
            21  C1a C     3.5897    0.6241
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   19  20 1
            20   20  21 1
            21    7  11 2
            22    9  12 1
            23   16  19 1


entry: C10084
name: --- - Isorhamnetin - 3-Methylquercetin - Quercetin 3'-methyl ether
formula: C16H12O7
comment: Flavonol
kcf:
ATOM        23
            1   C8y C    -1.2345   -0.9517
            2   C8y C    -1.2345   -0.1241
            3   C8y C    -0.4862   -1.3690
            4   C8y C    -1.9379   -1.3690
            5   O2x O    -0.4862    0.2897
            6   C8x C    -1.9379    0.2897
            7   C8y C     0.2138   -0.9517
            8   O5x O    -0.4862   -2.1931
            9   C8x C    -2.6345   -0.9517
            10  O1a O    -1.9379   -2.1931
            11  C8y C     0.2138   -0.1241
            12  C8y C    -2.6345   -0.1241
            13  O1a O     0.9172   -1.3690
            14  C8y C     0.9172    0.2897
            15  O1a O    -3.3793    0.2897
            16  C8x C     0.9172    1.1138
            17  C8x C     1.6655   -0.1241
            18  C8y C     1.6655    1.5276
            19  C8x C     2.3655    0.2897
            20  C8y C     2.3655    1.1138
            21  O2a O     1.6759    2.3517
            22  O1a O     3.0690    1.5276
            23  C1a C     2.3966    2.7552
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 2
            16   14  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23    7  11 2
            24    9  12 2
            25   19  20 1


entry: C10085
name: --- - Morellin
formula: C33H36O7
kcf:
ATOM        40
            1   C4a C     6.1685  -10.1791
            2   C2c C     6.8704  -10.5834
            3   C1a C     7.5683  -10.1791
            4   C2b C     6.8704  -11.3916
            5   O4a O     6.1685   -9.3667
            6   C1b C     6.2519  -11.9542
            7   C1z C     5.5123  -11.9500
            8   C1y C     5.5235  -12.7220
            9   C5x C     6.2892  -12.5254
            10  O2x O     5.1484  -11.1362
            11  C2x C     5.4340  -13.7592
            12  C1z C     4.8606  -11.7943
            13  C1x C     5.3512  -13.1316
            14  C1y C     6.1498  -13.3530
            15  O5x O     7.0287  -12.5267
            16  C1a C     4.2432  -11.3422
            17  C1a C     5.6819  -11.4603
            18  C2y C     4.7332  -13.3375
            19  C1z C     4.7332  -12.5125
            20  O2x O     4.0277  -12.0845
            21  C5x C     4.0105  -13.7471
            22  C8y C     3.3051  -12.4941
            23  C8y C     3.2982  -13.3237
            24  O5x O     4.0070  -14.5802
            25  C8y C     2.5816  -12.0741
            26  C8y C     2.5747  -13.7402
            27  C8y C     1.8589  -12.4872
            28  C1b C     2.5747  -11.2376
            29  C8y C     1.8555  -13.3203
            30  O1a O     2.5712  -14.5733
            31  O2x O     1.1397  -12.0707
            32  C2b C     1.8589  -10.8246
            33  C2x C     1.1397  -13.7367
            34  C1z C     0.4204  -12.4872
            35  C2c C     1.8589   -9.9915
            36  C2x C     0.4204  -13.3203
            37  C1a C    -0.3065  -12.0707
            38  C1a C    -0.3099  -12.9003
            39  C1a C     1.1362   -9.5750
            40  C1a C     2.5747   -9.5750
BOND        45
            1     2   4 2
            2     1   2 1
            3     1   5 2
            4     4   6 1
            5    19   7 1 #Down
            6    19   8 1 #Up
            7     7   9 1
            8     7  10 1
            9    18  11 2
            10    8  12 1
            11    8  13 1
            12   14   9 1 #Down
            13    9  15 2
            14   12  16 1
            15   12  17 1
            16   10  12 1
            17   11  14 1
            18   14  13 1 #Up
            19    2   3 1
            20   19  18 1
            21   19  20 1
            22   18  21 1
            23   20  22 1
            24   21  23 1
            25   21  24 2
            26   22  25 1
            27   23  26 1
            28   25  27 2
            29   25  28 1
            30   26  29 2
            31   26  30 1
            32   27  31 1
            33   28  32 1
            34   29  33 1
            35   31  34 1
            36   32  35 2
            37   33  36 2
            38   34  37 1
            39   34  38 1
            40   35  39 1
            41   35  40 1
            42   22  23 2
            43   27  29 1
            44   34  36 1
            45    7   6 1


entry: C10086
name: --- - Norathyriol - 1,3,6,7-Tetrahydroxyxanthone
formula: C13H8O6
kcf:
ATOM        19
            1   C8y C    -0.7897    0.5517
            2   C8y C    -0.7966   -0.2793
            3   O2x O    -0.0724    0.9655
            4   C8x C    -1.5069    0.9690
            5   C8y C    -0.0793   -0.6931
            6   C8y C    -1.5069   -0.6897
            7   C8y C     0.6448    0.5448
            8   C8y C    -2.2276    0.5517
            9   C8y C     0.6379   -0.2828
            10  O5x O    -0.0793   -1.5241
            11  C8x C    -2.2276   -0.2793
            12  O1a O    -1.5069   -1.5207
            13  C8x C     1.3655    0.9552
            14  O1a O    -2.9414    0.9690
            15  C8x C     1.3517   -0.7000
            16  C8y C     2.0793    0.5310
            17  C8y C     2.0724   -0.2966
            18  O1a O     2.7966    0.9414
            19  O1a O     2.7828   -0.7138
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     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   15  17 2
            17   16  18 1
            18   17  19 1
            19    7   9 2
            20    8  11 1
            21   16  17 1


entry: C10087
name: --- - Norlichexanthone
formula: C14H10O5
kcf:
ATOM        19
            1   C8y C    -0.7172    0.5931
            2   C8y C    -0.7207   -0.2345
            3   O2x O     0.0034    1.0069
            4   C8x C    -1.4310    1.0103
            5   C8y C    -0.0034   -0.6517
            6   C8y C    -1.4310   -0.6483
            7   C8y C     0.7207    0.5862
            8   C8y C    -2.1517    0.5931
            9   C8y C     0.7138   -0.2379
            10  O5x O    -0.0034   -1.4793
            11  C8x C    -2.1517   -0.2345
            12  C1a C    -1.4310   -1.4759
            13  C8x C     1.4414    0.9966
            14  O1a O    -2.8655    1.0103
            15  C8y C     1.4276   -0.6586
            16  C8y C     2.1552    0.5759
            17  C8x C     2.1483   -0.2517
            18  O1a O     1.4207   -1.4862
            19  O1a O     2.8724    0.9862
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     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   15  17 2
            17   15  18 1
            18   16  19 1
            19    7   9 2
            20    8  11 1
            21   16  17 1


entry: C10088
name: --- - Norswertianin - 1,2,6,8-Tetrahydroxyxanthone
formula: C13H8O6
kcf:
ATOM        19
            1   C8y C     0.7138   -0.1517
            2   C8y C     0.7207    0.6759
            3   C8y C    -0.0034   -0.5621
            4   C8y C     1.4276   -0.5690
            5   O2x O     0.0034    1.0931
            6   C8x C     1.4414    1.0828
            7   C8y C    -0.7207   -0.1483
            8   O5x O    -0.0034   -1.3931
            9   C8x C     2.1483   -0.1655
            10  O1a O     1.4207   -1.4000
            11  C8y C    -0.7172    0.6828
            12  C8y C     2.1552    0.6621
            13  C8y C    -1.4310   -0.5621
            14  C8x C    -1.4310    1.0966
            15  O1a O     2.8724    1.0724
            16  C8y C    -2.1517   -0.1483
            17  O1a O    -1.4310   -1.3897
            18  C8x C    -2.1517    0.6828
            19  O1a O    -2.8655   -0.5621
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 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 2
            18   16  19 1
            19    7  11 2
            20    9  12 1
            21   16  18 1


entry: C10089
name: --- - Norswertianolin
formula: C19H18O11
kcf:
ATOM        30
            1   C8y C     0.4000    0.6517
            2   C8y C     0.4069    1.4828
            3   C8y C    -0.3069    0.2414
            4   C8y C     1.1172    0.2379
            5   O2x O     1.1241    1.8966
            6   C8y C    -0.3069    1.9000
            7   O2a O    -0.3034   -0.5897
            8   C8x C    -1.0276    0.6517
            9   C8y C     1.8345    0.6483
            10  O5x O     1.1172   -0.5931
            11  C8y C     1.8414    1.4759
            12  C8x C    -1.0276    1.4828
            13  O1a O    -0.3069    2.7276
            14  C1y C    -1.0241   -1.0069
            15  C8y C     2.5483    0.2310
            16  C8x C     2.5621    1.8862
            17  O2x O    -1.7448   -0.5897
            18  C1y C    -1.0207   -1.8379
            19  C8x C     3.2690    0.6345
            20  O1a O     2.5414   -0.5966
            21  C8y C     3.2759    1.4621
            22  C1y C    -2.4621   -1.0069
            23  C1y C    -1.7414   -2.2517
            24  O1a O    -0.3034   -2.2483
            25  O1a O     4.0000    1.8724
            26  C1y C    -2.4621   -1.8379
            27  C1b C    -3.1828   -0.5931
            28  O1a O    -1.7414   -3.0793
            29  O1a O    -3.1793   -2.2517
            30  O1a O    -3.9000   -1.0103
BOND        33
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13   14   7 1 #Up
            14    9  15 1
            15   11  16 1
            16   14  17 1
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   16  21 2
            21   17  22 1
            22   18  23 1
            23   18  24 1 #Down
            24   21  25 1
            25   22  26 1
            26   22  27 1 #Up
            27   23  28 1 #Up
            28   26  29 1 #Down
            29   27  30 1
            30    8  12 1
            31    9  11 2
            32   19  21 1
            33   23  26 1


entry: C10090
name: --- - Psorospermin
formula: C19H16O6
kcf:
ATOM        25
            1   C8y C     0.0966   -0.0621
            2   C8y C    -0.6172    0.3517
            3   C8y C     0.0931   -0.8931
            4   O2x O     0.8172    0.3448
            5   C8y C    -1.3379   -0.0621
            6   C1x C    -0.7897    1.1655
            7   C8y C    -0.6172   -1.3103
            8   C8y C     0.8103   -1.3103
            9   C8y C     1.5345   -0.0690
            10  O2x O    -1.9552    0.4931
            11  C8x C    -1.3379   -0.8931
            12  C1y C    -1.6172    1.2552
            13  O2a O    -0.6172   -2.1379
            14  C8y C     1.5276   -0.8966
            15  O5x O     0.8103   -2.1414
            16  C8y C     2.2552    0.3345
            17  C1z C    -2.0345    1.9690
            18  C1a C    -1.3345   -2.5517
            19  C8x C     2.2414   -1.3172
            20  C8x C     2.9655   -0.0828
            21  O1a O     2.2621    1.1655
            22  C1x C    -2.0345    2.7931
            23  O2x O    -2.7517    2.3759
            24  C1a C    -1.3207    2.3897
            25  C8x C     2.9586   -0.9103
BOND        29
            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 1
            14    8  15 2
            15    9  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   16  20 2
            20   16  21 1
            21   17  22 1 #Down
            22   17  23 1
            23   17  24 1 #Up
            24   19  25 2
            25    7  11 2
            26    9  14 2
            27   10  12 1
            28   20  25 1
            29   22  23 1


entry: C10091
name: --- - Swerchirin - 5-O-Methylbellidifolin - 3,5-Dimethoxy-1,8-dihydroxyxanthone
formula: C15H12O6
kcf:
ATOM        21
            1   C8y C     0.8586    0.4138
            2   C8y C     0.8517   -0.4138
            3   C8y C     1.5793    0.8207
            4   O2x O     0.1414    0.8345
            5   C8y C     0.1345   -0.8241
            6   C8y C     1.5621   -0.8310
            7   C8x C     2.2862    0.4000
            8   O2a O     1.5862    1.6517
            9   C8y C    -0.5793    0.4207
            10  C8y C    -0.5828   -0.4103
            11  O5x O     0.1310   -1.6552
            12  C8x C     2.2793   -0.4276
            13  O1a O     1.5552   -1.6621
            14  C1a C     2.3034    2.0586
            15  C8x C    -1.2966    0.8345
            16  C8y C    -1.2966   -0.8241
            17  C8y C    -2.0172    0.4207
            18  C8x C    -2.0172   -0.4103
            19  O1a O    -1.2931   -1.6517
            20  O2a O    -2.7345    0.8379
            21  C1a C    -3.4483    0.4207
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   15  17 2
            17   16  18 2
            18   16  19 1
            19   17  20 1
            20   20  21 1
            21    7  12 1
            22    9  10 2
            23   17  18 1


entry: C10092
name: --- - Swertianin - 1,2,8-Trihydroxy-6-methoxyxanthone
formula: C14H10O6
kcf:
ATOM        20
            1   C8y C     0.5414    0.6414
            2   C8y C     0.5345   -0.1828
            3   O2x O    -0.1759    1.0621
            4   C8x C     1.2621    1.0517
            5   C8y C    -0.1828   -0.5966
            6   C8y C     1.2448   -0.6034
            7   C8y C    -0.8931    0.6483
            8   C8y C     1.9724    0.6310
            9   C8y C    -0.8966   -0.1793
            10  O5x O    -0.1862   -1.4241
            11  C8x C     1.9655   -0.1966
            12  O1a O     1.2379   -1.4310
            13  C8x C    -1.6103    1.0655
            14  O2a O     2.6966    1.0414
            15  C8y C    -1.6103   -0.5931
            16  C8x C    -2.3276    0.6483
            17  C1a C     3.4103    0.6172
            18  C8y C    -2.3276   -0.1793
            19  O1a O    -1.6069   -1.4207
            20  O1a O    -3.0483   -0.5931
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   14  17 1
            17   15  18 2
            18   15  19 1
            19   18  20 1
            20    7   9 2
            21    8  11 1
            22   16  18 1


entry: C10093
name: --- - Swertianolin - Bellidifolin-8-O-glucoside
formula: C20H20O11
kcf:
ATOM        31
            1   C8y C     6.7234   -4.9637
            2   C8y C     6.7268   -4.1326
            3   C8y C     6.0130   -5.3740
            4   C8y C     7.4406   -5.3775
            5   O2x O     7.4475   -3.7189
            6   C8y C     6.0130   -3.7189
            7   O2a O     6.0165   -6.2051
            8   C8x C     5.2924   -4.9637
            9   C8y C     8.1544   -4.9671
            10  O5x O     7.4372   -6.2085
            11  C8y C     8.1648   -4.1395
            12  C8x C     5.2924   -4.1326
            13  O1a O     6.0165   -2.8878
            14  C1y C     5.2992   -6.6223
            15  C8y C     8.8682   -5.3844
            16  C8x C     8.8820   -3.7326
            17  O2x O     4.5786   -6.2051
            18  C1y C     5.2992   -7.4533
            19  C8x C     9.5889   -4.9809
            20  O1a O     8.8613   -6.2154
            21  C8y C     9.5958   -4.1533
            22  C1y C     3.8579   -6.6223
            23  C1y C     4.5786   -7.8671
            24  O1a O     6.0165   -7.8637
            25  O2a O    10.3199   -3.7430
            26  C1y C     3.8579   -7.4533
            27  C1b C     3.1372   -6.2085
            28  O1a O     4.5786   -8.6947
            29  C1a C    11.0337   -4.1671
            30  O1a O     3.1406   -7.8671
            31  O1a O     2.4238   -6.6227
BOND        34
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13   14   7 1 #Up
            14    9  15 1
            15   11  16 1
            16   14  17 1
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   16  21 2
            21   17  22 1
            22   18  23 1
            23   18  24 1 #Down
            24   21  25 1
            25   22  26 1
            26   22  27 1 #Up
            27   23  28 1 #Up
            28   25  29 1
            29   26  30 1 #Down
            30    8  12 1
            31    9  11 2
            32   19  21 1
            33   23  26 1
            34   27  31 1


entry: C10094
name: --- - 1,3,5-Trihydroxyxanthone
formula: C13H8O5
kcf:
ATOM        18
            1   C8y C    -0.5552    0.4655
            2   C8y C    -0.5586   -0.3621
            3   O2x O     0.1655    0.8759
            4   C8x C    -1.2724    0.8793
            5   C8y C     0.1586   -0.7828
            6   C8y C    -1.2724   -0.7793
            7   C8y C     0.8793    0.4621
            8   C8y C    -1.9931    0.4655
            9   C8y C     0.8724   -0.3655
            10  O5x O     0.1552   -1.6103
            11  C8x C    -1.9931   -0.3621
            12  O1a O    -1.2690   -1.6069
            13  C8y C     1.5966    0.8655
            14  O1a O    -2.7103    0.8793
            15  C8x C     1.5828   -0.7897
            16  C8x C     2.3103    0.4483
            17  O1a O     1.6035    1.6965
            18  C8x C     2.3034   -0.3793
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   13  17 1
            17   15  18 2
            18    7   9 2
            19    8  11 1
            20   16  18 1


entry: C10095
name: --- - Tripteroside - Norathyriol-6-O-beta-D-glucoside
formula: C19H18O11
kcf:
ATOM        30
            1   C8y C    13.9661   -8.2100
            2   C8y C    13.9764   -7.4033
            3   C8y C    13.2732   -8.6079
            4   C8y C    14.6591   -8.6148
            5   O2x O    13.2801   -6.9951
            6   C8x C    14.6728   -7.0055
            7   C8y C    12.5767   -8.2066
            8   O5x O    13.2697   -9.4139
            9   C8x C    15.3589   -8.2163
            10  O1a O    14.6522   -9.4174
            11  C8y C    12.5802   -7.3964
            12  C8y C    15.3658   -7.4171
            13  C8x C    11.8837   -8.6044
            14  C8x C    11.8837   -6.9917
            15  O1a O    16.0691   -7.0193
            16  C8y C    11.1874   -8.2066
            17  C8y C    11.1874   -7.3964
            18  O1a O    10.4909   -8.6044
            19  O2a O    10.1951   -6.8250
            20  C1y C     9.2036   -7.3888
            21  O2x O     8.5038   -6.9840
            22  C1y C     9.2070   -8.1990
            23  C1y C     7.8073   -7.3888
            24  C1y C     8.5072   -8.6003
            25  O1a O     9.9001   -8.5974
            26  C1y C     7.8073   -8.1990
            27  C1b C     7.1074   -6.9875
            28  O1a O     8.5072   -9.4064
            29  O1a O     7.1109   -8.6003
            30  O1a O     6.4111   -7.3922
BOND        33
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 2
            16   14  17 2
            17   16  18 1
            18   17  19 1
            19   20  19 1 #Up
            20   20  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1 #Down
            25   23  26 1
            26   23  27 1 #Up
            27   24  28 1 #Up
            28   26  29 1 #Down
            29   27  30 1
            30    7  11 2
            31    9  12 1
            32   16  17 1
            33   24  26 1


