# compounds

entry: C10097
name: --- - Isoscutellarein - 8-Hydroxyapigenin
formula: C15H10O6
comment: Flavone
kcf:
ATOM        21
            1   C8y C    -0.8966   -0.8241
            2   C8y C    -0.8931    0.0034
            3   C8y C    -0.1793   -1.2414
            4   C8y C    -1.6035   -1.2379
            5   O2x O    -0.1724    0.4172
            6   C8y C    -1.6035    0.4207
            7   C8x C     0.5414   -0.8310
            8   O5x O    -0.1828   -2.0690
            9   C8x C    -2.3241   -0.8241
            10  O1a O    -1.6035   -2.0655
            11  C8y C     0.5448    0.0000
            12  C8y C    -2.3241    0.0034
            13  O1a O    -1.6000    1.2483
            14  C8y C     1.2655    0.4138
            15  O1a O    -3.0414    0.4207
            16  C8x C     1.9793   -0.0103
            17  C8x C     1.2690    1.2414
            18  C8x C     2.7000    0.4034
            19  C8x C     1.9862    1.6483
            20  C8y C     2.7034    1.2345
            21  O1a O     3.4241    1.6414
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    6  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   20  21 1
            21    7  11 2
            22    9  12 1
            23   19  20 1


entry: C10098
name: --- - Kaempferide - Kaempferol 4'-methyl ether
formula: C16H12O6
comment: Flavonol
kcf:
ATOM        22
            1   C8y C    -1.2103    0.0621
            2   C8y C    -1.2138   -0.7655
            3   O2x O    -0.4897    0.4759
            4   C8x C    -1.9241    0.4793
            5   C8y C    -0.4966   -1.1828
            6   C8y C    -1.9241   -1.1793
            7   C8y C     0.2276    0.0552
            8   C8y C    -2.6414    0.0621
            9   C8y C     0.2241   -0.7724
            10  O5x O    -0.5000   -2.0103
            11  C8x C    -2.6414   -0.7655
            12  O1a O    -1.9241   -2.0069
            13  C8y C     0.9483    0.4690
            14  O1a O    -3.3586    0.4793
            15  O1a O     0.9414   -1.1897
            16  C8x C     1.6621    0.0483
            17  C8x C     0.9483    1.2966
            18  C8x C     2.3828    0.4621
            19  C8x C     1.6690    1.7069
            20  C8y C     2.3862    1.2897
            21  O2a O     3.1034    1.7000
            22  C1a C     3.8207    1.2862
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    9  15 1
            15   13  16 2
            16   13  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21   21  22 1
            22    7   9 2
            23    8  11 1
            24   19  20 1


entry: C10099
name: --- - Kuwanone G
formula: C40H36O11
comment: Flavone
kcf:
ATOM        51
            1   C1y C     3.5576  -12.2280
            2   C1y C     2.8439  -11.8177
            3   C2x C     4.2749  -11.8177
            4   C1y C     2.8473  -10.9901
            5   C5a C     1.9680  -11.8039
            6   C2y C     4.2749  -10.9935
            7   C1x C     3.5611  -10.5797
            8   C8y C     1.5439  -11.0384
            9   O5a O     1.5163  -12.5556
            10  C1a C     4.9887  -10.5832
            11  C8y C     0.7197  -11.0280
            12  C8x C     1.9680  -10.3315
            13  C8x C     0.3163  -10.3039
            14  O1a O     0.2956  -11.7349
            15  C8x C     1.5680   -9.6108
            16  C8y C     0.7439   -9.5970
            17  O1a O     0.3439   -8.8763
            18  C8y C     2.8424  -10.0922
            19  C8y C     3.5576   -9.6832
            20  C8x C     2.1266   -9.6832
            21  C8x C     3.5576   -8.8591
            22  O1a O     4.2714  -10.0935
            23  C8x C     2.1266   -8.8591
            24  C8y C     2.8439   -8.4453
            25  O1a O     2.8439   -7.6289
            26  C8y C     3.5567  -13.0530
            27  C8y C     4.2680  -13.4660
            28  C8y C     4.2645  -14.2935
            29  O2x O     4.9852  -13.0591
            30  C8y C     2.8404  -13.4660
            31  C8y C     4.9783  -14.7073
            32  C8y C     3.5576  -14.7039
            33  C8y C     5.6990  -13.4728
            34  C8x C     2.8404  -14.2935
            35  O1a O     2.1266  -13.0556
            36  C8y C     5.6956  -14.2970
            37  O5x O     4.9749  -15.5315
            38  O1a O     3.5576  -15.5280
            39  C8y C     6.4128  -13.0625
            40  C1b C     6.4059  -14.7142
            41  C8y C     6.4163  -12.2418
            42  C8x C     7.1266  -13.4797
            43  C2b C     6.4025  -15.5384
            44  C8x C     7.1335  -11.8315
            45  O1a O     5.7025  -11.8246
            46  C8x C     7.8404  -13.0728
            47  C2c C     7.1163  -15.9556
            48  C8y C     7.8439  -12.2453
            49  C1a C     7.1128  -16.7797
            50  C1a C     7.8335  -15.5453
            51  O1a O     8.5611  -11.8384
BOND        56
            1    24  25 1
            2    23  24 1
            3     5   9 2
            4     1  26 1 #Down
            5     6  10 1
            6     8  11 2
            7     8  12 1
            8    11  13 1
            9    11  14 1
            10   12  15 2
            11   13  16 2
            12   16  17 1
            13    6   7 1
            14   15  16 1
            15    4  18 1 #Down
            16    1   2 1
            17    1   3 1
            18    2   4 1
            19    2   5 1 #Up
            20    3   6 2
            21    4   7 1
            22    5   8 1
            23   18  19 2
            24   18  20 1
            25   19  21 1
            26   19  22 1
            27   20  23 2
            28   21  24 2
            29   27  26 1
            30   27  28 2
            31   27  29 1
            32   26  30 2
            33   28  31 1
            34   28  32 1
            35   29  33 1
            36   30  34 1
            37   30  35 1
            38   31  36 1
            39   31  37 2
            40   32  38 1
            41   33  39 1
            42   36  40 1
            43   39  41 1
            44   39  42 2
            45   40  43 1
            46   41  44 2
            47   41  45 1
            48   42  46 1
            49   43  47 2
            50   44  48 1
            51   47  49 1
            52   47  50 1
            53   48  51 1
            54   32  34 2
            55   33  36 2
            56   46  48 2


entry: C10100
name: --- - Kuwanone H
formula: C45H44O11
comment: Flavone
kcf:
ATOM        56
            1   C1y C     4.7875  -12.2320
            2   C1y C     4.0737  -11.8182
            3   C2x C     5.5047  -11.8182
            4   C1y C     4.0772  -10.9941
            5   C5a C     3.1978  -11.8044
            6   C2y C     5.5047  -10.9941
            7   C1x C     4.7909  -10.5803
            8   C8y C     2.7737  -11.0389
            9   O5a O     2.7461  -12.5561
            10  C1a C     6.2185  -10.5837
            11  C8y C     1.9496  -11.0286
            12  C8x C     3.1978  -10.3320
            13  C8y C     1.5461  -10.3044
            14  O1a O     1.5254  -11.7355
            15  C8x C     2.7978   -9.6113
            16  C8y C     1.9737   -9.5975
            17  C1b C     0.7220  -10.2906
            18  O1a O     1.5737   -8.8768
            19  C2b C     0.2978  -10.9975
            20  C2c C    -0.5263  -10.9837
            21  C1a C    -0.9504  -11.6906
            22  C1a C    -0.9263  -10.2630
            23  C8y C     4.0716  -10.0974
            24  C8y C     4.7875   -9.6837
            25  C8x C     3.3565   -9.6837
            26  C8x C     4.7875   -8.8596
            27  O1a O     5.5013  -10.0941
            28  C8x C     3.3565   -8.8596
            29  C8y C     4.0737   -8.4458
            30  O1a O     4.0737   -7.6283
            31  C8y C     4.7867  -13.0570
            32  C8y C     5.4978  -13.4665
            33  C8y C     5.4944  -14.2941
            34  O2x O     6.2151  -13.0596
            35  C8y C     4.0703  -13.4665
            36  C8y C     6.2082  -14.7079
            37  C8y C     4.7875  -14.7044
            38  C8y C     6.9289  -13.4734
            39  C8x C     4.0703  -14.2941
            40  O1a O     3.3565  -13.0561
            41  C8y C     6.9254  -14.2975
            42  O5x O     6.2047  -15.5320
            43  O1a O     4.7875  -15.5320
            44  C8y C     7.6427  -13.0630
            45  C1b C     7.6358  -14.7148
            46  C8y C     7.6461  -12.2424
            47  C8x C     8.3565  -13.4837
            48  C2b C     7.6323  -15.5389
            49  C8x C     8.3634  -11.8320
            50  O1a O     6.9323  -11.8286
            51  C8x C     9.0703  -13.0734
            52  C2c C     8.3461  -15.9561
            53  C8y C     9.0737  -12.2492
            54  C1a C     8.3427  -16.7803
            55  C1a C     9.0634  -15.5458
            56  O1a O     9.7909  -11.8389
BOND        61
            1    23  25 1
            2    24  26 1
            3    24  27 1
            4    25  28 2
            5    26  29 2
            6    29  30 1
            7    28  29 1
            8     5   9 2
            9     1  31 1 #Down
            10    6  10 1
            11    8  11 2
            12    8  12 1
            13   11  13 1
            14   11  14 1
            15   12  15 2
            16   13  16 2
            17   13  17 1
            18   16  18 1
            19   17  19 1
            20   19  20 2
            21   20  21 1
            22   20  22 1
            23    6   7 1
            24   15  16 1
            25    4  23 1 #Down
            26    1   2 1
            27    1   3 1
            28    2   4 1
            29    2   5 1 #Up
            30    3   6 2
            31    4   7 1
            32    5   8 1
            33   23  24 2
            34   32  31 1
            35   32  33 2
            36   32  34 1
            37   31  35 2
            38   33  36 1
            39   33  37 1
            40   34  38 1
            41   35  39 1
            42   35  40 1
            43   36  41 1
            44   36  42 2
            45   37  43 1
            46   38  44 1
            47   41  45 1
            48   44  46 1
            49   44  47 2
            50   45  48 1
            51   46  49 2
            52   46  50 1
            53   47  51 1
            54   48  52 2
            55   49  53 1
            56   52  54 1
            57   52  55 1
            58   53  56 1
            59   37  39 2
            60   38  41 2
            61   51  53 2


entry: C10101
name: --- - (-)-Usnic acid - (S)-Usnic acid - (S)-usnate
formula: C18H16O7
kcf:
ATOM        25
            1   C1z C     0.5690    0.3966
            2   C8y C    -0.7966    0.4000
            3   C2y C     0.5655   -0.3966
            4   C5x C     1.2586    0.7897
            5   C1a C     0.5483    1.2379
            6   C8y C    -0.8000   -0.3931
            7   C8y C    -1.4793    0.7966
            8   O2x O    -0.1138   -0.7931
            9   C2x C     1.2552   -0.7931
            10  C2y C     1.9414    0.3897
            11  O5x O     1.2621    1.6138
            12  C8y C    -1.4793   -0.7862
            13  C8y C    -2.1690    0.4000
            14  O1a O    -1.4793    1.5931
            15  C2y C     1.9414   -0.4000
            16  C5a C     2.6586    0.8000
            17  C8y C    -2.1690   -0.3931
            18  C5a C    -1.4793   -1.6138
            19  C1a C    -2.8828    0.8138
            20  O1a O     2.6552   -0.8138
            21  C1a C     3.3724    0.3862
            22  O5a O     2.6621    1.6241
            23  O1a O    -2.8828   -0.8034
            24  C1a C    -2.1931   -2.0276
            25  O5a O    -0.7655   -2.0241
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 2
            11    6  12 1
            12    7  13 2
            13    7  14 1
            14    9  15 1
            15   10  16 1
            16   12  17 2
            17   12  18 1
            18   13  19 1
            19   15  20 1
            20   16  21 1
            21   16  22 2
            22   17  23 1
            23   18  24 1
            24   18  25 2
            25    6   8 1
            26   10  15 2
            27   13  17 1


entry: C10102
name: --- - Lucenin-2 - Luteolin 6,8-di-C-glucoside
formula: C27H30O16
comment: Flavone C-glycoside
kcf:
ATOM        43
            1   C1y C     2.6792  -15.4375
            2   C1y C     2.6792  -16.2625
            3   C1y C     3.3954  -16.6750
            4   O2x O     4.1074  -16.2625
            5   C1y C     4.1074  -15.4375
            6   C1y C     3.3954  -15.0250
            7   C8y C     3.3964  -17.5000
            8   C8y C     4.1091  -17.9142
            9   C8y C     2.6780  -17.9142
            10  C8y C     4.1056  -18.7418
            11  O2x O     4.8297  -17.5004
            12  C8y C     2.6780  -18.7418
            13  O1a O     1.9608  -17.5004
            14  C8y C     3.3918  -19.1556
            15  C8y C     4.8228  -19.1591
            16  C8y C     5.5470  -17.9177
            17  C1y C     1.9608  -19.1556
            18  O1a O     3.3918  -19.9797
            19  C8x C     5.5435  -18.7487
            20  O5x O     4.8194  -19.9866
            21  C8y C     6.2677  -17.5039
            22  O2x O     1.2504  -18.7418
            23  C1y C     1.9608  -19.9797
            24  C8x C     6.2677  -16.6763
            25  C8x C     6.9815  -17.9246
            26  C1y C     0.5332  -19.1556
            27  C1y C     1.2504  -20.3901
            28  O1a O     2.6780  -20.3901
            29  C8y C     6.9884  -16.2625
            30  C8x C     7.7022  -17.5108
            31  C1y C     0.5332  -19.9797
            32  C1b C    -0.1806  -18.7418
            33  O1a O     1.2504  -21.2177
            34  C8y C     7.7056  -16.6797
            35  O1a O     6.9884  -15.4384
            36  O1a O    -0.1806  -20.3935
            37  O1a O    -0.8944  -19.1522
            38  O1a O     8.4194  -16.2694
            39  O1a O     1.9649  -16.6754
            40  O1a O     1.9649  -15.0246
            41  O1a O     3.3964  -14.2000
            42  C1b C     4.8221  -15.0255
            43  O1a O     4.8228  -14.2005
BOND        47
            1     5   6 1
            2     6   1 1
            3     8  10 2
            4     8  11 1
            5     9  12 1
            6     9  13 1
            7    10  14 1
            8    10  15 1
            9    11  16 1
            10   17  12 1 #Up
            11   14  18 1
            12   15  19 1
            13   15  20 2
            14   16  21 1
            15   17  22 1
            16   17  23 1
            17   21  24 1
            18   21  25 2
            19   22  26 1
            20   23  27 1
            21   23  28 1 #Down
            22   24  29 2
            23   25  30 1
            24   26  31 1
            25   26  32 1 #Up
            26   27  33 1 #Up
            27   29  34 1
            28   29  35 1
            29   31  36 1 #Down
            30   32  37 1
            31   34  38 1
            32   12  14 2
            33   16  19 2
            34   27  31 1
            35   30  34 2
            36    7   8 1
            37    7   9 2
            38    3   7 1 #Up
            39    2  39 1 #Down
            40    1   2 1
            41    1  40 1 #Up
            42    2   3 1
            43    6  41 1 #Down
            44    3   4 1
            45    5  42 1 #Up
            46    4   5 1
            47   42  43 1


entry: C10103
name: --- - Luteolin 7-O-(6''-malonylglucoside)
formula: C24H22O14
kcf:
ATOM        38
            1   C8y C     1.6759    0.0552
            2   C8y C     1.6724   -0.7241
            3   O2x O     2.3517    0.4414
            4   C8x C     1.0035    0.4448
            5   C8y C     2.3448   -1.1172
            6   C8y C     1.0035   -1.1138
            7   C8y C     3.0241    0.0483
            8   C8y C     0.3276    0.0552
            9   C8x C     3.0207   -0.7310
            10  O5x O     2.3414   -1.8931
            11  C8x C     0.3276   -0.7241
            12  O1a O     1.0069   -1.8931
            13  C8y C     3.7000    0.4345
            14  O2a O    -0.3483    0.4483
            15  C8x C     3.7000    1.2103
            16  C8x C     4.3690    0.0414
            17  C1y C    -1.1586    0.0552
            18  C8y C     4.3759    1.5966
            19  C8x C     5.0448    0.4276
            20  O2x O    -1.8310    0.4448
            21  C1y C    -1.1586   -0.7241
            22  C8y C     5.0483    1.2069
            23  O1a O     4.3793    2.3759
            24  C1y C    -2.5069    0.0552
            25  C1y C    -1.8310   -1.1138
            26  O1a O    -0.4862   -1.1138
            27  O1a O     5.7241    1.5931
            28  C1y C    -2.5069   -0.7241
            29  C1b C    -3.1793    0.4448
            30  O1a O    -1.8310   -1.8931
            31  O1a O    -3.1793   -1.1138
            32  O7a O    -3.8552    0.0552
            33  C7a C    -4.5276    0.4448
            34  C1b C    -5.2035    0.0552
            35  O7a O    -4.5276    1.2241
            36  C6a C    -5.8759    0.4448
            37  O6a O    -5.8759    1.2241
            38  O6a O    -6.5517    0.0552
BOND        41
            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 1
            15   13  16 2
            16   17  14 1 #Up
            17   15  18 2
            18   16  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 1
            22   18  23 1
            23   20  24 1
            24   21  25 1
            25   21  26 1 #Down
            26   22  27 1
            27   24  28 1
            28   24  29 1 #Up
            29   25  30 1 #Up
            30   28  31 1 #Down
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 2
            35   34  36 1
            36   36  37 1
            37   36  38 2
            38    7   9 2
            39    8  11 1
            40   19  22 2
            41   25  28 1


entry: C10104
name: --- - 6-Methoxyluteolin 7-rhamnoside
formula: C22H22O11
comment: Flavone
kcf:
ATOM        33
            1   C8y C     4.8716  -13.3514
            2   C8y C     4.8750  -12.5273
            3   C8y C     4.1647  -13.7618
            4   C8y C     5.5888  -13.7652
            5   C8x C     4.1647  -12.1100
            6   O2x O     5.5957  -12.1135
            7   C8y C     3.4509  -13.3514
            8   O1a O     4.1647  -14.5824
            9   C8x C     6.3060  -13.3583
            10  O5x O     5.5853  -14.5859
            11  C8y C     3.4509  -12.5273
            12  C8y C     6.3095  -12.5342
            13  O2a O     2.7405  -13.7618
            14  O2a O     2.7129  -12.0721
            15  C8y C     7.0233  -12.1204
            16  C1a C     2.0302  -13.3549
            17  C1y C     1.8440  -11.6135
            18  C8x C     7.0233  -11.2962
            19  C8x C     7.7371  -12.5411
            20  C1y C     1.1405  -12.0376
            21  O2x O     1.8267  -10.7962
            22  C8y C     7.7405  -10.8859
            23  C8x C     8.4543  -12.1273
            24  C1y C     0.4233  -11.6445
            25  O1a O     1.1578  -12.8583
            26  C1y C     1.1095  -10.3962
            27  C8y C     8.4543  -11.2997
            28  O1a O     7.7440  -10.0652
            29  C1y C     0.4060  -10.8238
            30  O1a O    -0.2767  -12.0686
            31  O1a O     9.1681  -10.8928
            32  O1a O    -0.3112  -10.4273
            33  C1a C     1.0941   -9.5714
BOND        36
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   17  14 1 #Up
            17   15  18 1
            18   15  19 2
            19   17  20 1
            20   17  21 1
            21   18  22 2
            22   19  23 1
            23   20  24 1
            24   20  25 1 #Down
            25   21  26 1
            26   22  27 1
            27   22  28 1
            28   24  29 1
            29   24  30 1 #Down
            30   27  31 1
            31   29  32 1 #Up
            32    7  11 1
            33    9  12 2
            34   23  27 2
            35   26  29 1
            36   26  33 1 #Down


entry: C10105
name: --- - Morin - 3,5,7,2',4'-Pentahydroxyflavone
formula: C15H10O7
comment: Flavonol
kcf:
ATOM        22
            1   C8y C    -1.1103   -0.6724
            2   C8y C    -1.1069    0.1552
            3   C8y C    -0.3966   -1.0897
            4   C8y C    -1.8241   -1.0862
            5   O2x O    -0.3862    0.5690
            6   C8x C    -1.8241    0.5724
            7   C8y C     0.3207   -0.6793
            8   O5x O    -0.4000   -1.9172
            9   C8x C    -2.5448   -0.6724
            10  O1a O    -1.8241   -1.9138
            11  C8y C     0.3241    0.1517
            12  C8y C    -2.5448    0.1552
            13  O1a O     1.0379   -1.0931
            14  C8y C     1.0448    0.5621
            15  O1a O    -3.2621    0.5724
            16  C8y C     1.7586    0.1414
            17  C8x C     1.0448    1.3897
            18  C8x C     2.4793    0.5552
            19  O1a O     1.7552   -0.6862
            20  C8x C     1.7655    1.8000
            21  C8y C     2.4828    1.3862
            22  O1a O     3.2034    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 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   21  22 1
            22    7  11 2
            23    9  12 1
            24   20  21 1


entry: C10106
name: --- - Morusin
formula: C25H24O6
comment: Flavone
kcf:
ATOM        31
            1   C8y C    -0.8517    0.1724
            2   C8y C    -0.8552   -0.6517
            3   C8y C    -1.5621    0.5828
            4   O2x O    -0.1345    0.5828
            5   C8y C    -0.1414   -1.0655
            6   C8y C    -1.5621   -1.0621
            7   C8y C    -2.2793    0.1724
            8   C2x C    -1.5552    1.4103
            9   C8y C     0.5759    0.1690
            10  C8y C     0.5724   -0.6586
            11  O5x O    -0.1448   -1.8931
            12  C8x C    -2.2793   -0.6517
            13  O1a O    -1.5621   -1.8897
            14  O2x O    -2.9931    0.5931
            15  C2x C    -2.2690    1.8276
            16  C8y C     1.2931    0.5759
            17  C1b C     1.2862   -1.0724
            18  C1z C    -2.9897    1.4172
            19  C8y C     2.0035    0.1586
            20  C8x C     1.2966    1.4000
            21  C2b C     1.2828   -1.8966
            22  C1a C    -3.7000    1.8345
            23  C1a C    -3.0241    2.3828
            24  C8x C     2.7207    0.5690
            25  O1a O     2.0000   -0.6655
            26  C8x C     2.0103    1.8103
            27  C2c C     1.9966   -2.3138
            28  C8y C     2.7241    1.3931
            29  C1a C     1.9931   -3.1379
            30  C1a C     2.7103   -1.9035
            31  O1a O     3.4414    1.8035
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     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 2
            15    9  16 1
            16   10  17 1
            17   14  18 1
            18   16  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 1
            22   18  23 1
            23   19  24 1
            24   19  25 1
            25   20  26 2
            26   21  27 2
            27   24  28 2
            28   27  29 1
            29   27  30 1
            30   28  31 1
            31    7  12 1
            32    9  10 2
            33   15  18 1
            34   26  28 1


entry: C10107
name: --- - Myricetin - 3,5,7,3',4',5'-Hexahydroxyflavone
formula: C15H10O8
comment: Flavonol
kcf:
ATOM        23
            1   C8y C     3.9781  -12.2897
            2   C8y C     3.9781  -13.1138
            3   O2x O     4.6954  -11.8897
            4   C8x C     3.2747  -11.8897
            5   C8y C     4.6954  -13.5379
            6   C8y C     3.2747  -13.5379
            7   C8y C     5.4161  -12.3138
            8   C8y C     2.5540  -12.3138
            9   C8y C     5.4161  -13.1138
            10  O5x O     4.6954  -14.3586
            11  C8x C     2.5540  -13.1138
            12  O1a O     3.2747  -14.3586
            13  C8y C     6.1299  -11.8897
            14  O1a O     1.8195  -11.9103
            15  O1a O     6.1505  -13.5138
            16  C8x C     6.8540  -12.2897
            17  C8x C     6.1299  -11.0655
            18  C8y C     7.5747  -11.8897
            19  C8y C     6.8540  -10.6586
            20  C8y C     7.5747  -11.0655
            21  O1a O     8.3057  -12.2897
            22  O1a O     6.8540   -9.8414
            23  O1a O     8.3057  -10.6586
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 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 1
            16   13  17 2
            17   16  18 2
            18   17  19 1
            19   18  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23    7   9 2
            24    8  11 1
            25   19  20 2


entry: C10108
name: --- - Myricitrin - Myricetin 3-O-rhamnoside
formula: C21H20O12
comment: Flavonol O-glycoside
kcf:
ATOM        33
            1   C1y C     6.2423  -12.8164
            2   C1y C     6.9534  -12.3924
            3   O2x O     6.2527  -13.6415
            4   C1y C     7.6715  -12.8036
            5   O1a O     6.9462  -11.5690
            6   C1y C     6.9693  -14.0439
            7   C1y C     7.6758  -13.6254
            8   O1a O     8.3809  -12.3826
            9   C1a C     6.9736  -14.8657
            10  O1a O     8.3937  -14.0325
            11  O2a O     5.4859  -12.3431
            12  C8y C     4.7807  -11.1044
            13  C8y C     4.7773  -11.9279
            14  C8y C     5.4973  -10.6906
            15  O2x O     4.0746  -10.6837
            16  C8y C     4.0677  -12.3341
            17  C8x C     6.2111  -11.1113
            18  C8x C     5.5008   -9.8672
            19  C8y C     3.3581  -11.0975
            20  C8y C     3.3546  -11.9245
            21  O5x O     4.0608  -13.1609
            22  C8y C     6.9276  -10.6975
            23  C8y C     6.2180   -9.4611
            24  C8x C     2.6449  -10.6803
            25  C8y C     2.6449  -12.3306
            26  C8y C     6.9310   -9.8741
            27  O1a O     7.6406  -11.1182
            28  O1a O     6.2214   -8.6376
            29  C8y C     1.9284  -11.0975
            30  C8x C     1.9284  -11.9245
            31  O1a O     2.6484  -13.1574
            32  O1a O     7.6475   -9.4680
            33  O1a O     1.2154  -10.6803
BOND        36
            1     6   7 1
            2     1  11 1 #Up
            3     1   2 1
            4     1   3 1
            5     2   4 1
            6     2   5 1 #Down
            7     3   6 1
            8     4   7 1
            9     4   8 1 #Down
            10    6   9 1 #Down
            11    7  10 1 #Up
            12   12  13 2
            13   12  14 1
            14   12  15 1
            15   13  16 1
            16   13  11 1
            17   14  17 2
            18   14  18 1
            19   15  19 1
            20   16  20 1
            21   16  21 2
            22   17  22 1
            23   18  23 2
            24   19  24 1
            25   20  25 1
            26   22  26 2
            27   22  27 1
            28   23  28 1
            29   24  29 2
            30   25  30 2
            31   25  31 1
            32   26  32 1
            33   29  33 1
            34   19  20 2
            35   23  26 1
            36   29  30 1


entry: C10109
name: --- - Neocarlinoside
formula: C26H28O15
comment: Flavone C-glycoside
kcf:
ATOM        41
            1   C8y C     0.5310   -0.0276
            2   C8y C    -0.1862    0.3862
            3   C8y C     0.5241   -0.8586
            4   O2x O     1.2483    0.3862
            5   C1y C    -0.1655    1.2138
            6   C8y C    -0.9069   -0.0276
            7   C8y C    -0.1862   -1.2690
            8   C8y C     1.2414   -1.2724
            9   C8y C     1.9621   -0.0345
            10  C1y C    -0.8690    1.6448
            11  O2x O     0.5586    1.6035
            12  C8y C    -0.9069   -0.8586
            13  O1a O    -1.6241    0.3897
            14  O1a O    -0.1862   -2.1000
            15  C8x C     1.9586   -0.8655
            16  O5x O     1.2379   -2.1034
            17  C8y C     2.6828    0.3793
            18  C1y C    -0.8483    2.4655
            19  O1a O    -1.5931    1.2483
            20  C1x C     0.5828    2.4310
            21  C1y C    -1.6207   -1.2690
            22  C8x C     2.6828    1.2069
            23  C8x C     3.3966   -0.0414
            24  C1y C    -0.1207    2.8621
            25  O1a O    -1.5517    2.8966
            26  O2x O    -2.3345   -0.8586
            27  C1y C    -1.6207   -2.0966
            28  C8y C     3.4034    1.6138
            29  C8x C     4.1172    0.3690
            30  O1a O    -0.1000    3.6862
            31  C1y C    -3.0517   -1.2690
            32  C1y C    -2.3345   -2.5069
            33  O1a O    -0.9069   -2.5069
            34  C8y C     4.1207    1.2000
            35  O1a O     3.4069    2.4414
            36  C1y C    -3.0517   -2.0966
            37  C1b C    -3.7655   -0.8586
            38  O1a O    -2.3345   -3.3310
            39  O1a O     4.8414    1.6103
            40  O1a O    -3.7655   -2.5069
            41  O1a O    -4.4793   -1.2690
BOND        45
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     5   2 1 #Down
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   10  19 1 #Down
            19   11  20 1
            20   21  12 1 #Up
            21   17  22 1
            22   17  23 2
            23   18  24 1
            24   18  25 1 #Up
            25   21  26 1
            26   21  27 1
            27   22  28 2
            28   23  29 1
            29   24  30 1 #Up
            30   26  31 1
            31   27  32 1
            32   27  33 1 #Down
            33   28  34 1
            34   28  35 1
            35   31  36 1
            36   31  37 1 #Up
            37   32  38 1 #Up
            38   34  39 1
            39   36  40 1 #Down
            40   37  41 1
            41    7  12 2
            42    9  15 2
            43   20  24 1
            44   29  34 2
            45   32  36 1


entry: C10110
name: --- - Neoschaftoside
formula: C26H28O14
comment: Flavone C-glycoside
kcf:
ATOM        40
            1   C8y C     0.6172    0.0345
            2   C8y C    -0.1000    0.4483
            3   C8y C     0.6103   -0.7966
            4   O2x O     1.3345    0.4483
            5   C1y C    -0.0793    1.2759
            6   C8y C    -0.8207    0.0345
            7   C8y C    -0.1000   -1.2069
            8   C8y C     1.3276   -1.2103
            9   C8y C     2.0483    0.0276
            10  C1y C    -0.7828    1.7069
            11  O2x O     0.6448    1.6655
            12  C8y C    -0.8207   -0.7966
            13  O1a O    -1.5379    0.4517
            14  O1a O    -0.1000   -2.0379
            15  C8x C     2.0448   -0.8034
            16  O5x O     1.3241   -2.0414
            17  C8y C     2.7690    0.4414
            18  C1y C    -0.7621    2.5276
            19  O1a O    -1.5069    1.3103
            20  C1x C     0.6690    2.4931
            21  C1y C    -1.5345   -1.2069
            22  C8x C     2.7690    1.2690
            23  C8x C     3.4828    0.0207
            24  C1y C    -0.0345    2.9241
            25  O1a O    -1.4655    2.9586
            26  O2x O    -2.2483   -0.7966
            27  C1y C    -1.5345   -2.0345
            28  C8x C     3.4897    1.6759
            29  C8x C     4.2034    0.4310
            30  O1a O    -0.0138    3.7483
            31  C1y C    -2.9655   -1.2069
            32  C1y C    -2.2483   -2.4448
            33  O1a O    -0.8207   -2.4448
            34  C8y C     4.2069    1.2621
            35  C1y C    -2.9655   -2.0345
            36  C1b C    -3.6793   -0.7966
            37  O1a O    -2.2483   -3.2690
            38  O1a O     4.9276    1.6724
            39  O1a O    -3.6793   -2.4448
            40  O1a O    -4.3931   -1.2069
BOND        44
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     5   2 1 #Down
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   10  19 1 #Down
            19   11  20 1
            20   21  12 1 #Up
            21   17  22 1
            22   17  23 2
            23   18  24 1
            24   18  25 1 #Up
            25   21  26 1
            26   21  27 1
            27   22  28 2
            28   23  29 1
            29   24  30 1 #Up
            30   26  31 1
            31   27  32 1
            32   27  33 1 #Down
            33   28  34 1
            34   31  35 1
            35   31  36 1 #Up
            36   32  37 1 #Up
            37   34  38 1
            38   35  39 1 #Down
            39   36  40 1
            40    7  12 2
            41    9  15 2
            42   20  24 1
            43   29  34 2
            44   32  35 1


entry: C10111
name: --- - Nevadensin
formula: C18H16O7
comment: Flavone
kcf:
ATOM        25
            1   C8y C    -0.6931   -0.0310
            2   C8y C    -0.6966   -0.8586
            3   C8y C    -1.4069    0.3862
            4   O2x O     0.0276    0.3828
            5   C8y C    -1.4069   -1.2724
            6   C8y C     0.0207   -1.2724
            7   C8y C    -2.1241   -0.0310
            8   O2a O    -1.4069    1.2138
            9   C8y C     0.7448   -0.0345
            10  C8y C    -2.1241   -0.8586
            11  O1a O    -1.4069   -2.0966
            12  C8x C     0.7414   -0.8655
            13  O5x O     0.0172   -2.1000
            14  O1a O    -2.8379    0.3828
            15  C1a C    -2.1207    1.6241
            16  C8y C     1.4655    0.3793
            17  O2a O    -2.8379   -1.2724
            18  C8x C     2.1828   -0.0414
            19  C8x C     1.4655    1.2069
            20  C1a C    -3.5517   -0.8586
            21  C8x C     2.9035    0.3724
            22  C8x C     2.1862    1.6207
            23  C8y C     2.9035    1.2034
            24  O2a O     3.6207    1.6138
            25  C1a C     4.3345    1.2000
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 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   16  18 2
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 2
            22   21  23 2
            23   23  24 1
            24   24  25 1
            25    7  10 1
            26    9  12 2
            27   22  23 1


entry: C10112
name: --- - Nobiletin - Hexamethoxyflavone - 5,6,7,8,3',4'-Hexamethoxyflavone
formula: C21H22O8
comment: Flavone
kcf:
ATOM        29
            1   C8y C    -0.6759   -0.9517
            2   C8y C    -0.6724   -0.1207
            3   C8y C    -1.3897   -1.3655
            4   C8y C     0.0414   -1.3690
            5   C8y C    -1.3897    0.2931
            6   O2x O     0.0483    0.2897
            7   C8y C    -2.1069   -0.9517
            8   O2a O    -1.3862   -2.1966
            9   C8x C     0.7621   -0.9552
            10  O5x O     0.0379   -2.2000
            11  C8y C    -2.1069   -0.1207
            12  O2a O    -1.3862    1.1207
            13  C8y C     0.7655   -0.1276
            14  O2a O    -2.8241   -1.3655
            15  C1a C    -2.1034   -2.6103
            16  O2a O    -2.8241    0.2931
            17  C1a C    -2.1069    1.5379
            18  C8y C     1.4862    0.2828
            19  C1a C    -3.5414   -0.9517
            20  C1a C    -3.5379   -0.1207
            21  C8x C     1.4862    1.1103
            22  C8x C     2.2000   -0.1345
            23  C8y C     2.2069    1.5241
            24  C8x C     2.9172    0.2759
            25  C8y C     2.9207    1.1035
            26  O2a O     2.2103    2.3517
            27  O2a O     3.6414    1.5172
            28  C1a C     2.9276    2.7621
            29  C1a C     4.3552    1.1035
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     4  10 2
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   16  20 1
            20   18  21 1
            21   18  22 2
            22   21  23 2
            23   22  24 1
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29    7  11 1
            30    9  13 2
            31   24  25 2


entry: C10113
name: --- - Norwogonin - 5,7,8-Trihydroxyflavone
formula: C15H10O5
comment: Flavone
kcf:
ATOM        20
            1   C8y C    -0.7207   -0.7414
            2   C8y C    -0.7172    0.0862
            3   C8y C    -0.0069   -1.1586
            4   C8y C    -1.4345   -1.1552
            5   O2x O     0.0000    0.5000
            6   C8y C    -1.4345    0.5034
            7   C8x C     0.7138   -0.7483
            8   O5x O    -0.0103   -1.9862
            9   C8x C    -2.1552   -0.7414
            10  O1a O    -1.4345   -1.9828
            11  C8y C     0.7172    0.0793
            12  C8y C    -2.1552    0.0862
            13  O1a O    -1.4345    1.3310
            14  C8y C     1.4379    0.4931
            15  O1a O    -2.8690    0.5034
            16  C8x C     2.1552    0.0724
            17  C8x C     1.4414    1.3207
            18  C8x C     2.8690    0.4862
            19  C8x C     2.1621    1.7310
            20  C8x C     2.8724    1.3138
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    6  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: C10114
name: --- - Orientin - Luteolin 8-C-glucoside
formula: C21H20O11
comment: Flavone C-glycoside
kcf:
ATOM        32
            1   C1y C     2.2713  -10.4707
            2   C1y C     2.2713  -11.2957
            3   C1y C     2.9875  -11.7082
            4   O2x O     3.6995  -11.2957
            5   C1y C     3.6995  -10.4707
            6   C1y C     2.9875  -10.0582
            7   C8y C     2.9885  -12.5332
            8   C8y C     3.7057  -12.9504
            9   C8y C     3.7023  -13.7815
            10  O2x O     4.4264  -12.5366
            11  C8y C     2.2712  -12.9504
            12  C8y C     4.4195  -14.1953
            13  C8y C     2.9885  -14.1918
            14  C8y C     5.1436  -12.9573
            15  C8x C     2.2712  -13.7815
            16  O1a O     1.5540  -12.5332
            17  C8x C     5.1402  -13.7884
            18  O5x O     4.4161  -15.0263
            19  O1a O     2.9919  -15.0228
            20  C8y C     5.8643  -12.5435
            21  C8x C     5.8643  -11.7159
            22  C8x C     6.5781  -12.9642
            23  C8y C     6.5850  -11.3056
            24  C8x C     7.2954  -12.5504
            25  C8y C     7.2988  -11.7228
            26  O1a O     6.5885  -10.4780
            27  O1a O     8.0195  -11.3125
            28  O1a O     1.5570  -11.7086
            29  O1a O     1.5570  -10.0578
            30  O1a O     2.9885   -9.2332
            31  C1b C     4.4143  -10.0587
            32  O1a O     4.4149   -9.2337
BOND        35
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     7  11 2
            5     9  12 1
            6     9  13 1
            7    10  14 1
            8    11  15 1
            9    11  16 1
            10   12  17 1
            11   12  18 2
            12   13  19 1
            13   14  20 1
            14   20  21 1
            15   20  22 2
            16   21  23 2
            17   22  24 1
            18   23  25 1
            19   23  26 1
            20   25  27 1
            21   13  15 2
            22   14  17 2
            23   24  25 2
            24    8   7 1
            25    8   9 2
            26    8  10 1
            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: C10115
name: --- - Oxyayanin A
formula: C18H16O8
comment: Flavonol
kcf:
ATOM        26
            1   C8y C     0.2207    0.0655
            2   C8y C     0.9379    0.4759
            3   C8y C     0.2172   -0.7621
            4   O2x O    -0.4931    0.4828
            5   C8y C     1.6552    0.0586
            6   C8x C     0.9414    1.3035
            7   C8y C    -0.5000   -1.1759
            8   O2a O     0.9310   -1.1828
            9   C8y C    -1.2138    0.0724
            10  C8x C     2.3759    0.4690
            11  O1a O     1.6483   -0.7724
            12  C8y C     1.6621    1.7172
            13  C8y C    -1.2172   -0.7552
            14  O5x O    -0.5034   -2.0069
            15  C1a C     0.9276   -2.0103
            16  C8x C    -1.9310    0.4862
            17  C8y C     2.3793    1.2966
            18  O1a O     1.6655    2.5448
            19  C8y C    -1.9310   -1.1724
            20  C8y C    -2.6517    0.0724
            21  O2a O     3.1000    1.7103
            22  C8x C    -2.6517   -0.7552
            23  O1a O    -1.9276   -2.0035
            24  O2a O    -3.3690    0.4862
            25  C1a C     3.8172    1.2897
            26  C1a C    -4.0862    0.0724
BOND        28
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 2
            14    8  15 1
            15    9  16 1
            16   10  17 2
            17   12  18 1
            18   13  19 1
            19   16  20 2
            20   17  21 1
            21   19  22 2
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   24  26 1
            26    9  13 2
            27   12  17 1
            28   20  22 1


entry: C10116
name: --- - Oxyayanin B
formula: C18H16O8
comment: Flavonol
kcf:
ATOM        26
            1   C8y C    -1.0552   -0.7931
            2   C8y C    -1.0517    0.0379
            3   C8y C    -0.3379   -1.2069
            4   C8y C    -1.7655   -1.2034
            5   O2x O    -0.3310    0.4517
            6   C8x C    -1.7655    0.4517
            7   C8y C     0.3828   -0.8000
            8   O5x O    -0.3414   -2.0345
            9   C8y C    -2.4828   -0.7931
            10  O1a O    -1.7655   -2.0310
            11  C8y C     0.3862    0.0310
            12  C8y C    -2.4828    0.0379
            13  O2a O     1.0966   -1.2138
            14  O1a O    -3.1966   -1.2069
            15  C8y C     1.1069    0.4448
            16  O2a O    -3.2000    0.4483
            17  C1a C     1.8103   -0.8069
            18  C8x C     1.1069    1.2724
            19  C8x C     1.8241    0.0241
            20  C1a C    -3.9138    0.0345
            21  C8y C     1.8276    1.6862
            22  C8x C     2.5448    0.4379
            23  C8y C     2.5448    1.2690
            24  O1a O     1.8276    2.5103
            25  O2a O     3.2621    1.6793
            26  C1a C     3.9759    1.2655
BOND        28
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   15  18 1
            18   15  19 2
            19   16  20 1
            20   18  21 2
            21   19  22 1
            22   21  23 1
            23   21  24 1
            24   23  25 1
            25   25  26 1
            26    7  11 2
            27    9  12 1
            28   22  23 2


entry: C10117
name: --- - Pachypodol - Quercetin 3,7,3'-trimethyl ether
formula: C18H16O7
comment: Flavonol
kcf:
ATOM        25
            1   C8y C     0.3172   -0.0828
            2   C8y C     1.0379    0.3276
            3   C8y C     0.3138   -0.9103
            4   O2x O    -0.4000    0.3345
            5   C8x C     1.0379    1.1552
            6   C8x C     1.7517   -0.0897
            7   C8y C    -0.4069   -1.3241
            8   O2a O     1.0310   -1.3310
            9   C8y C    -1.1207   -0.0759
            10  C8y C     1.7586    1.5690
            11  C8x C     2.4690    0.3207
            12  C8y C    -1.1241   -0.9034
            13  O5x O    -0.4103   -2.1552
            14  C1a C     1.7517   -0.9172
            15  C8x C    -1.8345    0.3379
            16  C8y C     2.4724    1.1483
            17  O2a O     1.7621    2.3966
            18  C8y C    -1.8345   -1.3207
            19  C8y C    -2.5552   -0.0759
            20  O1a O     3.1931    1.5621
            21  C1a C     2.4793    2.8069
            22  C8x C    -2.5552   -0.9034
            23  O1a O    -1.8345   -2.1517
            24  O2a O    -3.2690    0.3379
            25  C1a C    -3.9897   -0.0759
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   17  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   24  25 1
            25    9  12 2
            26   11  16 2
            27   19  22 1


entry: C10118
name: --- - Patuletin - Quercetagetin 6-methyl ether
formula: C16H12O8
comment: Flavonol
kcf:
ATOM        24
            1   C8y C    -0.8138   -0.7379
            2   C8y C    -0.8103    0.0897
            3   C8y C    -1.5276   -1.1517
            4   C8y C    -0.0966   -1.1552
            5   O2x O    -0.0897    0.5034
            6   C8x C    -1.5276    0.5069
            7   C8y C    -2.2414   -0.7379
            8   O1a O    -1.5241   -1.9759
            9   C8y C     0.6241   -0.7448
            10  O5x O    -0.1000   -1.9793
            11  C8y C     0.6276    0.0828
            12  C8y C    -2.2414    0.0897
            13  O2a O    -2.9552   -1.1517
            14  O1a O     1.3345   -1.1621
            15  C8y C     1.3483    0.4966
            16  O1a O    -2.9586    0.5000
            17  C1a C    -3.6724   -0.7379
            18  C8x C     1.3483    1.3276
            19  C8x C     2.0655    0.0793
            20  C8y C     2.0690    1.7414
            21  C8x C     2.7828    0.4931
            22  C8y C     2.7862    1.3241
            23  O1a O     2.0690    2.5655
            24  O1a O     3.5034    1.7345
BOND        26
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            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   15  18 1
            18   15  19 2
            19   18  20 2
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   22  24 1
            24    7  12 1
            25    9  11 2
            26   21  22 2


entry: C10119
name: --- - Pedalitin
formula: C16H12O7
comment: Flavone
kcf:
ATOM        23
            1   C8y C    -0.7552   -0.8207
            2   C8y C    -0.7517    0.0069
            3   C8y C    -1.4655   -1.2379
            4   C8y C    -0.0379   -1.2414
            5   O2x O    -0.0310    0.4172
            6   C8x C    -1.4655    0.4207
            7   C8y C    -2.1862   -0.8207
            8   O1a O    -1.4655   -2.0690
            9   C8x C     0.6828   -0.8276
            10  O5x O    -0.0414   -2.0724
            11  C8y C     0.6862    0.0000
            12  C8y C    -2.1862    0.0069
            13  O1a O    -2.9000   -1.2379
            14  C8y C     1.4069    0.4103
            15  O2a O    -2.9000    0.4207
            16  C8x C     1.4069    1.2379
            17  C8x C     2.1207   -0.0069
            18  C1a C    -3.6207    0.0069
            19  C8y C     2.1276    1.6517
            20  C8x C     2.8379    0.4034
            21  C8y C     2.8414    1.2310
            22  O1a O     2.1310    2.4793
            23  O1a O     3.5621    1.6448
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     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   14  16 1
            16   14  17 2
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   19  21 1
            21   19  22 1
            22   21  23 1
            23    7  12 1
            24    9  11 2
            25   20  21 2


entry: C10120
name: --- - Pinoquercetin - 6-C-Methylquercetin
formula: C16H12O7
comment: Flavonol
kcf:
ATOM        23
            1   C8y C    -0.9690    0.0517
            2   C8y C    -0.9690   -0.7586
            3   O2x O    -0.2448    0.4690
            4   C8x C    -1.6828    0.4690
            5   C8y C    -0.2448   -1.1828
            6   C8y C    -1.6828   -1.1828
            7   C8y C     0.4724    0.0517
            8   C8y C    -2.3966    0.0517
            9   C8y C     0.4724   -0.7586
            10  O5x O    -0.2448   -2.0172
            11  C8y C    -2.3966   -0.7586
            12  O1a O    -1.6828   -2.0172
            13  C8y C     1.1759    0.4690
            14  O1a O    -3.1310    0.4552
            15  O1a O     1.1897   -1.1690
            16  C1a C    -3.1138   -1.1690
            17  C8x C     1.1759    1.2828
            18  C8x C     1.8931    0.0517
            19  C8y C     1.8931    1.7035
            20  C8x C     2.6138    0.4690
            21  C8y C     2.6138    1.2828
            22  O1a O     1.8931    2.5241
            23  O1a O     3.3483    1.6759
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 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   11  16 1
            16   13  17 2
            17   13  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21   19  22 1
            22   21  23 1
            23    7   9 2
            24    8  11 1
            25   20  21 1


entry: C10121
name: --- - Primetin - 5,8-Dihydroxyflavone
formula: C15H10O4
comment: Flavone
kcf:
ATOM        19
            1   C8y C    -0.8724   -0.7207
            2   C8y C    -0.8724    0.1172
            3   C8y C    -0.1517   -1.1310
            4   C8y C    -1.5828   -1.1310
            5   O2x O    -0.1517    0.5276
            6   C8y C    -1.5828    0.5276
            7   C8x C     0.5621   -0.7034
            8   O5x O    -0.1517   -1.9552
            9   C8x C    -2.3000   -0.7034
            10  O1a O    -1.5828   -1.9552
            11  C8y C     0.5621    0.0966
            12  C8x C    -2.3000    0.0966
            13  O1a O    -1.5828    1.3483
            14  C8y C     1.2828    0.5138
            15  C8x C     1.2828    1.3483
            16  C8x C     2.0035    0.0966
            17  C8x C     1.9897    1.7621
            18  C8x C     2.7241    0.5138
            19  C8x C     2.7241    1.3483
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    6  13 1
            13   11  14 1
            14   14  15 2
            15   14  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: C10122
name: --- - Quercetagetin - 6-Hydroxyquercetin
formula: C15H10O8
comment: Flavonol
kcf:
ATOM        23
            1   C8y C    -0.9690    0.0586
            2   C8y C    -0.9724   -0.7690
            3   O2x O    -0.2483    0.4724
            4   C8x C    -1.6862    0.4759
            5   C8y C    -0.2552   -1.1862
            6   C8y C    -1.6862   -1.1828
            7   C8y C     0.4690    0.0517
            8   C8y C    -2.4000    0.0586
            9   C8y C     0.4655   -0.7759
            10  O5x O    -0.2586   -2.0103
            11  C8y C    -2.4000   -0.7690
            12  O1a O    -1.6828   -2.0069
            13  C8y C     1.1897    0.4655
            14  O1a O    -3.1172    0.4690
            15  O1a O     1.1759   -1.1931
            16  O1a O    -3.1138   -1.1828
            17  C8x C     1.1897    1.2966
            18  C8x C     1.9069    0.0483
            19  C8y C     1.9103    1.7103
            20  C8x C     2.6241    0.4621
            21  C8y C     2.6276    1.2931
            22  O1a O     1.9103    2.5345
            23  O1a O     3.3448    1.7035
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 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   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   9 2
            24    8  11 1
            25   20  21 2


entry: C10123
name: --- - Adenocarpine
formula: C19H24N2O
kcf:
ATOM        22
            1   C2y C     0.9759    1.0862
            2   C1y C     1.6931    1.5000
            3   C2x C     0.9759    0.2586
            4   C1x C     0.2586    1.5035
            5   C1x C     1.6931    2.3276
            6   N1x N     2.4103    1.0828
            7   N1y N     0.2552   -0.1552
            8   C1x C    -0.4586    1.0897
            9   C1x C     2.4103    2.7414
            10  C1x C     3.1310    1.5000
            11  C5a C     0.2586   -0.9759
            12  C1x C    -0.4586    0.2586
            13  C1x C     3.1310    2.3276
            14  C2b C    -0.4552   -1.3862
            15  O5a O     0.9793   -1.3862
            16  C2b C    -1.1690   -0.9724
            17  C8y C    -1.8862   -1.3828
            18  C8x C    -1.8828   -2.2138
            19  C8x C    -2.6069   -0.9690
            20  C8x C    -2.6000   -2.6276
            21  C8x C    -3.3241   -1.3897
            22  C8x C    -3.3207   -2.2207
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    9  13 1
            13   11  14 1
            14   11  15 2
            15   14  16 2
            16   16  17 1
            17   17  18 2
            18   17  19 1
            19   18  20 1
            20   19  21 2
            21   20  22 2
            22    8  12 1
            23   10  13 1
            24   21  22 1


entry: C10124
name: --- - Alexine
formula: C8H15NO4
kcf:
ATOM        13
            1   N1y N    -0.3310   -0.3828
            2   C1y C    -0.3345    0.4414
            3   C1y C     0.4517   -0.6345
            4   C1x C    -1.1172   -0.6414
            5   C1y C     0.4483    0.7000
            6   C1y C    -1.1207    0.6966
            7   C1y C     0.9345    0.0345
            8   C1b C     0.4483   -1.4552
            9   C1x C    -1.6069    0.0241
            10  O1a O     0.4448    1.5276
            11  O1a O    -1.1276    1.5241
            12  O1a O     1.7552    0.0345
            13  O1a O     1.1586   -1.8690
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 #Up
            8     4   9 1
            9     5  10 1 #Up
            10    6  11 1 #Down
            11    7  12 1 #Down
            12    8  13 1
            13    5   7 1
            14    6   9 1


entry: C10125
name: --- - Ammodendrine - Spherocarpine
formula: C12H20N2O
kcf:
ATOM        15
            1   C2y C    -0.1414    0.3034
            2   C1y C     0.5759    0.7138
            3   C2x C    -0.1448   -0.5241
            4   C1x C    -0.8621    0.7172
            5   C1x C     0.5759    1.5414
            6   N1x N     1.2897    0.3000
            7   N1y N    -0.8621   -0.9414
            8   C1x C    -1.5793    0.3069
            9   C1x C     1.2897    1.9586
            10  C1x C     2.0069    0.7138
            11  C1x C    -1.5793   -0.5241
            12  C5a C    -0.8586   -1.7621
            13  C1x C     2.0069    1.5414
            14  C1a C    -1.5759   -2.1724
            15  O5a O    -0.1379   -2.1724
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    9  13 1
            13   12  14 1
            14   12  15 2
            15    8  11 1
            16   10  13 1


entry: C10126
name: --- - Anatabine - (-)-Anatabine
formula: C10H12N2
kcf:
ATOM        12
            1   C8y C    -0.3552   -0.2069
            2   C1y C     0.3552    0.2069
            3   C8x C    -1.0759    0.2069
            4   C8x C    -0.3552   -1.0345
            5   C1x C     0.3552    1.0345
            6   N1x N     1.0759   -0.2069
            7   C8x C    -1.7931   -0.2069
            8   N5x N    -1.0759   -1.4517
            9   C2x C     1.0759    1.4517
            10  C1x C     1.7931    0.2069
            11  C8x C    -1.7931   -1.0345
            12  C2x C     1.7931    1.0345
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 2
            12    8  11 2
            13   10  12 1


entry: C10127
name: --- - Anibine
formula: C11H9NO3
kcf:
ATOM        15
            1   C8y C     0.0000   -0.1103
            2   C8y C    -0.7172   -0.5241
            3   C8x C     0.0000    0.7207
            4   O7x O     0.7207   -0.5276
            5   C8x C    -1.4345   -0.1069
            6   C8x C    -0.7172   -1.3552
            7   C8y C     0.7207    1.1310
            8   C8y C     1.4379   -0.1103
            9   C8x C    -2.1552   -0.5241
            10  N5x N    -1.4345   -1.7655
            11  C8x C     1.4379    0.7207
            12  O2a O     0.7172    1.9586
            13  O7x O     2.1483   -0.5276
            14  C8x C    -2.1552   -1.3552
            15  C1a C     1.4345    2.3793
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 2
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   12  15 1
            15    8  11 1
            16   10  14 2


entry: C10128
name: --- - Arecaidine
formula: C7H11NO2
kcf:
ATOM        10
            1   C2y C     0.2172    0.2897
            2   C1x C     0.2172   -0.5379
            3   C2x C    -0.5000    0.7034
            4   C6a C     0.9310    0.7034
            5   N1y N    -0.5000   -0.9552
            6   C1x C    -1.2172    0.2897
            7   O6a O     1.6483    0.2966
            8   O6a O     0.9276    1.5310
            9   C1x C    -1.2172   -0.5379
            10  C1a C    -0.5069   -1.7828
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    6   9 1


entry: C10129
name: --- - Arecoline
formula: C8H13NO2
kcf:
ATOM        11
            1   C2y C     0.0034    0.2276
            2   C1x C     0.0034   -0.6034
            3   C2x C    -0.7138    0.6379
            4   C7a C     0.7138    0.6379
            5   N1y N    -0.7138   -1.0207
            6   C1x C    -1.4310    0.2276
            7   O7a O     1.4310    0.2310
            8   O7a O     0.7103    1.4690
            9   C1x C    -1.4310   -0.6034
            10  C1a C    -0.7207   -1.8483
            11  C1a C     2.1483    0.6483
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    6   9 1


entry: C10130
name: --- - Astrocasine
formula: C20H26N2O
kcf:
ATOM        23
            1   C1y C    10.7724  -10.5236
            2   C8y C     9.7927  -10.9008
            3   N1y N    11.5004  -10.8794
            4   C1x C    10.7893   -9.6539
            5   C8y C     9.8168  -11.7290
            6   C8x C     9.0643  -10.5069
            7   C1x C    12.2081  -10.4719
            8   C5x C    11.6288  -11.6974
            9   C1x C    11.4970   -9.2435
            10  C2x C    10.2514  -12.2846
            11  C8x C     9.1092  -12.1566
            12  C8x C     8.3643  -10.9421
            13  C1y C    12.2081   -9.6539
            14  C2x C    11.1561  -12.3051
            15  O5x O    12.4115  -11.9078
            16  C8x C     8.3885  -11.7669
            17  C1y C    12.9122   -9.2504
            18  N1y N    13.6198   -9.6573
            19  C1x C    12.9122   -8.4324
            20  C1x C    14.3275   -9.2504
            21  C1a C    13.6164  -10.4753
            22  C1x C    13.6198   -8.0249
            23  C1x C    14.3275   -8.4324
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    8  15 2
            15   11  16 2
            16   13  17 1
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23    9  13 1
            24   10  14 2
            25   12  16 1
            26   22  23 1


entry: C10131
name: --- - Astrophylline
formula: C19H26N2O
kcf:
ATOM        22
            1   C1x C     9.2432   -9.5902
            2   C8x C     8.2552   -9.9716
            3   N1y N     9.9796   -9.9503
            4   C1x C     9.2602   -8.7122
            5   C8y C     8.2793  -10.8082
            6   C8x C     7.5185   -9.5736
            7   C1x C    10.6956   -9.5385
            8   C5a C    10.1038  -10.7766
            9   C1x C     9.9762   -8.2977
            10  C2b C     8.7139  -11.3680
            11  C8x C     7.5634  -11.2400
            12  C8x C     6.8102  -10.0129
            13  C1y C    10.6956   -8.7122
            14  C2b C     9.6311  -11.3884
            15  O5a O    10.8990  -10.9911
            16  C8x C     6.8344  -10.8461
            17  C1y C    11.4039   -8.3046
            18  N1x N    12.1198   -8.7156
            19  C1x C    11.4039   -7.4783
            20  C1x C    12.8316   -8.3046
            21  C1x C    12.1198   -7.0665
            22  C1x C    12.8316   -7.4783
BOND        24
            1     1   3 1
            2     1   4 1
            3     2   5 2
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     4   9 1
            8     5  10 1
            9     5  11 1
            10    6  12 2
            11    7  13 1
            12    8  14 1
            13    8  15 2
            14   11  16 2
            15   13  17 1
            16   17  18 1
            17   17  19 1
            18   18  20 1
            19   19  21 1
            20   20  22 1
            21    9  13 1
            22   10  14 2
            23   12  16 1
            24   21  22 1


entry: C10133
name: --- - Brunfelsamidine
formula: C5H7N3
kcf:
ATOM        8
            1   C8x C    16.4898  -16.1020
            2   C8y C    16.1932  -15.3254
            3   N4x N    15.8408  -16.6199
            4   C8x C    15.3650  -15.3668
            5   C8x C    15.1512  -16.1676
            6   C2c C    16.6433  -14.6298
            7   N1a N    17.4713  -14.6738
            8   N2a N    16.2695  -13.8902
BOND        8
            1     2   4 1
            2     3   5 1
            3     4   5 2
            4     2   6 1
            5     1   2 2
            6     6   7 1
            7     1   3 1
            8     6   8 2


entry: C10134
name: --- - Buchananine
formula: C12H15NO7
kcf:
ATOM        20
            1   C1y C    17.3863  -14.5559
            2   C1y C    17.3863  -15.3793
            3   O2x O    18.1029  -14.1387
            4   C1b C    16.6725  -14.1387
            5   C1y C    18.1029  -15.7889
            6   O1a O    16.6656  -15.7855
            7   C1y C    18.8160  -14.5559
            8   O7a O    15.9595  -14.5525
            9   C1y C    18.8160  -15.3793
            10  O1a O    18.0960  -16.6158
            11  O1a O    19.5255  -14.1352
            12  C7a C    15.2464  -14.1352
            13  O1a O    19.5255  -15.7889
            14  C8y C    14.5367  -14.5490
            15  O7a O    15.2430  -13.3117
            16  C8x C    13.8203  -14.1318
            17  C8x C    14.5402  -15.3759
            18  C8x C    13.1072  -14.5490
            19  N5x N    13.8237  -15.7855
            20  C8x C    13.1072  -15.3759
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Down
            11    8  12 1
            12    9  13 1 #Down
            13   12  14 1
            14   12  15 2
            15   14  16 2
            16   14  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20    7   9 1
            21   19  20 1


entry: C10135
name: --- - Carpaine
formula: C28H50N2O4
kcf:
ATOM        34
            1   C1y C     3.2241    0.1966
            2   C1y C     3.2276    1.0276
            3   C1x C     2.5035   -0.2103
            4   O7x O     3.9345   -0.2138
            5   N1x N     2.5103    1.4483
            6   C1a C     3.9379    1.4517
            7   C1x C     1.7862    0.2034
            8   C7x C     3.9345   -1.0379
            9   C1y C     1.7897    1.0345
            10  C1x C     3.2172   -1.4483
            11  O7x O     4.6517   -1.4552
            12  C1x C     1.0724    1.4517
            13  C1x C     2.5035   -1.0345
            14  C1x C     0.3552    1.0345
            15  C1x C     1.7862   -1.4448
            16  C1x C    -0.3552    1.4517
            17  C1x C     1.0690   -1.0276
            18  C1x C    -1.0724    1.0345
            19  C1x C     0.3517   -1.4414
            20  C1x C    -1.7897    1.4517
            21  C1x C    -0.3621   -1.0241
            22  C1x C    -2.5069    1.0345
            23  C1x C    -1.0690   -1.4483
            24  C1x C    -3.2241    1.4517
            25  C1y C    -1.7828   -1.0345
            26  C7x C    -3.9379    1.0345
            27  N1x N    -2.5000   -1.4483
            28  C1x C    -1.7828   -0.2034
            29  O7x O    -3.9379    0.2069
            30  O7x O    -4.6621    1.4517
            31  C1y C    -3.2172   -1.0345
            32  C1x C    -2.5000    0.2069
            33  C1y C    -3.2172   -0.2034
            34  C1a C    -3.9379   -1.4448
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     8  10 1
            10    8  11 2
            11    9  12 1 #Up
            12   10  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   25  23 1 #Up
            25   24  26 1
            26   25  27 1
            27   25  28 1
            28   26  29 1
            29   26  30 2
            30   27  31 1
            31   28  32 1
            32   33  29 1 #Up
            33   31  34 1 #Up
            34    7   9 1
            35   31  33 1
            36   32  33 1


entry: C10136
name: --- - Cassine
formula: C18H35NO2
kcf:
ATOM        21
            1   C1y C    12.4592  -15.0805
            2   N1x N    11.7454  -14.6633
            3   C1x C    12.4592  -15.9115
            4   C1b C    13.1730  -14.6633
            5   C1y C    11.0247  -15.0805
            6   C1x C    11.7454  -16.3219
            7   C1b C    13.8902  -15.0805
            8   C1y C    11.0247  -15.9115
            9   C1a C    10.3040  -14.6701
            10  C1b C    14.6074  -14.6701
            11  O1a O    10.3040  -16.3219
            12  C1b C    15.3247  -15.0839
            13  C1b C    16.0350  -14.6736
            14  C1b C    16.7523  -15.0908
            15  C1b C    17.4695  -14.6770
            16  C1b C    18.1867  -15.0943
            17  C1b C    18.9040  -14.6805
            18  C1b C    19.6212  -15.0977
            19  C5a C    20.3350  -14.6805
            20  C1a C    21.0523  -15.0977
            21  O5a O    20.3316  -13.8529
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1 #Up
            9     7  10 1
            10    8  11 1 #Up
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21    6   8 1


entry: C10137
name: --- - Codonopsine
formula: C14H21NO4
kcf:
ATOM        19
            1   C8y C     0.0034   -0.0621
            2   C1y C    -0.7690    0.2345
            3   C8x C     0.7241    0.3483
            4   C8x C    -0.0034   -0.8897
            5   C1y C    -0.9828    1.0379
            6   N1y N    -1.4690   -0.2138
            7   C8y C     1.4379   -0.0690
            8   C8x C     0.7138   -1.3103
            9   C1y C    -1.8103    1.0793
            10  O1a O    -0.3966    1.6310
            11  C1y C    -2.1138    0.3069
            12  C1a C    -1.4724   -1.0414
            13  C8y C     1.4345   -0.8966
            14  O2a O     2.1517    0.3483
            15  O1a O    -2.4069    1.6759
            16  C1a C    -2.9172    0.0966
            17  O2a O     2.1483   -1.3103
            18  C1a C     2.8690   -0.0655
            19  C1a C     2.8621   -0.9000
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1 #Down
            10    6  11 1
            11    6  12 1
            12    7  13 2
            13    7  14 1
            14    9  15 1 #Up
            15   11  16 1 #Down
            16   13  17 1
            17   14  18 1
            18   17  19 1
            19    8  13 1
            20    9  11 1


entry: C10138
name: --- - gamma-Coniceine
formula: C8H15N
kcf:
ATOM        9
            1   C2y C     0.0000    0.1828
            2   C1x C     0.0000   -0.6448
            3   N2x N    -0.7138    0.6000
            4   C1b C     0.7138    0.6000
            5   C1x C    -0.7138   -1.0586
            6   C1x C    -1.4310    0.1828
            7   C1b C     1.4310    0.1828
            8   C1x C    -1.4310   -0.6448
            9   C1a C     2.1483    0.6000
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     6   8 1


entry: C10139
name: --- - Cryptophorine
formula: C17H27NO
kcf:
ATOM        19
            1   C1y C    13.1790  -15.2966
            2   N1y N    12.4617  -14.8793
            3   C1x C    13.1790  -16.1241
            4   C2b C    13.8928  -14.8793
            5   C1y C    11.7411  -15.2966
            6   C1a C    12.4549  -14.0517
            7   C1x C    12.4617  -16.5379
            8   C2b C    14.6100  -15.2966
            9   C1y C    11.7411  -16.1241
            10  C1a C    11.0204  -14.8828
            11  C2b C    15.3238  -14.8828
            12  O1a O    11.0204  -16.5379
            13  C2b C    16.0376  -15.3000
            14  C2b C    16.7549  -14.8897
            15  C2b C    17.4721  -15.3034
            16  C2b C    18.1893  -14.8931
            17  C2b C    18.9031  -15.3103
            18  C1b C    19.6204  -14.8966
            19  C1a C    20.3376  -15.3138
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1 #Down
            10    8  11 1
            11    9  12 1 #Down
            12   11  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 1
            19    7   9 1


entry: C10140
name: --- - Cucurbitine
formula: C5H10N2O2
kcf:
ATOM        9
            1   C1z C    11.7064   -6.6436
            2   C6a C    11.9839   -5.8685
            3   C1x C    10.8801   -6.6677
            4   C1x C    11.9811   -7.4241
            5   N1a N    12.5275   -6.7146
            6   O6a O    12.7980   -5.7237
            7   O6a O    11.4450   -5.2406
            8   C1x C    10.6499   -7.4613
            9   N1x N    11.3290   -7.9293
BOND        9
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     4   9 1
            9     8   9 1


entry: C10141
name: --- - Deoxymannojirimycin - DMJ
formula: C6H13NO4
kcf:
ATOM        11
            1   C1y C    15.9422  -14.2700
            2   C1y C    15.9664  -15.0971
            3   N1x N    16.6402  -13.8356
            4   C1b C    15.2166  -13.8772
            5   C1y C    16.6887  -15.4935
            6   O1a O    15.2652  -15.5385
            7   C1x C    17.3727  -14.2281
            8   O1a O    14.5119  -14.3152
            9   C1y C    17.3969  -15.0553
            10  O1a O    16.7198  -16.3205
            11  O1a O    18.1295  -15.4513
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    9  11 1 #Up
            11    7   9 1


entry: C10142
name: --- - Dioscorine
formula: C13H19NO2
kcf:
ATOM        16
            1   C1z C    12.5600   -8.5794
            2   C1y C    11.8435   -8.1629
            3   C1x C    12.5635   -9.4236
            4   C1x C    12.5600   -7.7457
            5   O7x O    13.2835   -9.0001
            6   C1x C    11.1133   -8.5794
            7   C1x C    11.4125   -8.8898
            8   C1y C    11.8435   -9.8443
            9   C2y C    13.2870   -7.3292
            10  C7x C    14.0069   -8.5829
            11  N1y N    11.1133   -9.4236
            12  C1x C    12.1359   -9.3105
            13  C2x C    14.0069   -7.7457
            14  C1a C    13.2801   -6.4885
            15  O7x O    14.7303   -9.0001
            16  C1a C    10.3857   -9.8408
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    9  13 2
            13    9  14 1
            14   10  15 2
            15   11  16 1
            16    8  11 1
            17    8  12 1 #Up
            18   13  10 1


entry: C10143
name: --- - DMDP - 2,5-Dihydroxymethyl-3,4-dihydroxypyrrolidine
formula: C6H13NO4
kcf:
ATOM        11
            1   C1y C    -0.6517   -0.3069
            2   C1y C    -0.4379    0.4897
            3   N1x N     0.0379   -0.7586
            4   C1b C    -1.3759   -0.7172
            5   C1y C     0.3862    0.5310
            6   O1a O    -1.0276    1.0793
            7   C1y C     0.6828   -0.2414
            8   O1a O    -2.0966   -0.3000
            9   O1a O     0.9724    1.1207
            10  C1b C     1.3966   -0.6552
            11  O1a O     2.1138   -0.2345
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 1 #Down
            9     7  10 1 #Up
            10   10  11 1
            11    5   7 1


entry: C10144
name: --- - Fagomine
formula: C6H13NO3
kcf:
ATOM        10
            1   C1y C    10.6870   -6.1211
            2   C1y C    10.6825   -6.9522
            3   N1x N    11.4065   -5.7147
            4   C1b C     9.9755   -5.7069
            5   C1y C    11.3974   -7.3698
            6   O1a O     9.9664   -7.3688
            7   C1x C    12.1249   -6.1290
            8   O1a O     9.2559   -6.1167
            9   C1x C    12.1203   -6.9601
            10  O1a O    11.3997   -8.2009
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7   9 1


entry: C10145
name: --- - Funebrine
formula: C18H24N2O5
kcf:
ATOM        25
            1   N4y N     0.6862    0.9034
            2   C1y C     0.6828    0.0793
            3   C8y C     0.0310    1.4069
            4   C8y C     1.3655    1.3724
            5   C7x C     1.5069    0.1207
            6   C1y C     0.4655   -0.7138
            7   C2b C    -0.6793    0.9931
            8   C8x C     0.3034    2.1828
            9   C8x C     1.1310    2.1655
            10  C1b C     2.0759    0.9586
            11  O7x O     1.8000   -0.6552
            12  O7x O     2.2207    0.5379
            13  C1y C     1.1552   -1.1690
            14  C1a C    -0.2552   -1.1241
            15  N2b N    -0.6793    0.1724
            16  O1a O     2.7897    1.3724
            17  C1a C     1.1483   -1.9897
            18  C1y C    -1.3931   -0.2414
            19  C7x C    -1.1655   -1.0379
            20  C1y C    -2.2172   -0.2138
            21  O7x O    -1.8517   -1.4966
            22  O7x O    -0.5862   -1.6207
            23  C1y C    -2.5000   -0.9862
            24  C1a C    -2.8069    0.3759
            25  C1a C    -3.2172   -1.3931
BOND        27
            1     2   1 1 #Down
            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 2
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 2
            15   10  16 1
            16   13  17 1 #Down
            17   18  15 1 #Down
            18   18  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   20  24 1 #Up
            24   23  25 1 #Down
            25    8   9 1
            26   11  13 1
            27   21  23 1


entry: C10146
name: --- - Fusaric acid
formula: C10H13NO2
kcf:
ATOM        13
            1   C8y C    10.8569   -7.8073
            2   C8x C    10.8505   -8.6383
            3   N5x N    10.1393   -7.3915
            4   C6a C    11.5772   -7.4025
            5   C8x C    10.1267   -9.0500
            6   C8x C     9.4189   -7.7963
            7   O6a O    12.2912   -7.8182
            8   O6a O    11.5869   -6.5715
            9   C8y C     9.4126   -8.6274
            10  C1b C     8.6956   -9.0322
            11  C1b C     7.9850   -8.6130
            12  C1b C     7.2647   -9.0179
            13  C1a C     6.5541   -8.5951
BOND        13
            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     4   8 2
            8     5   9 2
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    6   9 1


entry: C10147
name: --- - Gerrardine
formula: C11H19NO2S4
kcf:
ATOM        18
            1   C1y C    -0.6655    0.1586
            2   C1y C    -1.4552   -0.0966
            3   N1y N     0.0034   -0.3276
            4   C1x C    -0.4103    0.9414
            5   C1y C    -2.1241    0.3897
            6   S3x S    -1.7103   -0.8793
            7   C1y C     0.6690    0.1552
            8   C1a C    -0.0069   -1.1517
            9   C1x C     0.4172    0.9414
            10  C1x C    -2.7931   -0.0966
            11  O1a O    -2.1310    1.2172
            12  S3x S    -2.5345   -0.8793
            13  C1y C     1.4552   -0.1000
            14  C1y C     2.1241    0.3862
            15  S3x S     1.7103   -0.8828
            16  C1x C     2.7931   -0.1000
            17  O1a O     2.1172    1.2138
            18  S3x S     2.5345   -0.8862
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   14  17 1 #Up
            17   15  18 1
            18    7   9 1
            19   10  12 1
            20   16  18 1


entry: C10148
name: --- - Girgensonine
formula: C13H16N2O
kcf:
ATOM        16
            1   C1c C     0.5828   -0.1276
            2   C8y C    -0.1345   -0.5414
            3   N1y N     0.5862    0.6966
            4   C3b C     1.3000   -0.5448
            5   C8x C    -0.8552   -0.1241
            6   C8x C    -0.1310   -1.3724
            7   C1x C    -0.1345    1.1103
            8   C1x C     1.3035    1.1103
            9   N3a N     2.0172   -0.9586
            10  C8x C    -1.5724   -0.5414
            11  C8x C    -0.8517   -1.7862
            12  C1x C    -0.1345    1.9379
            13  C1x C     1.3035    1.9379
            14  C8y C    -1.5724   -1.3724
            15  C1x C     0.5862    2.3552
            16  O1a O    -2.2931   -1.7793
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Either
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 3
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13   10  14 1
            14   12  15 1
            15   14  16 1
            16   11  14 2
            17   13  15 1


entry: C10149
name: --- - Guvacine
formula: C6H9NO2
kcf:
ATOM        9
            1   C2y C     0.1621    0.0897
            2   C2x C    -0.5552    0.5069
            3   C1x C     0.1621   -0.7379
            4   C6a C     0.8759    0.5069
            5   C1x C    -1.2759    0.0897
            6   N1x N    -0.5552   -1.1517
            7   O6a O     1.5931    0.0966
            8   O6a O     0.8690    1.3379
            9   C1x C    -1.2759   -0.7379
BOND        9
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6   9 1


entry: C10150
name: --- - Harzianopyridone
formula: C14H19NO5
kcf:
ATOM        20
            1   C8y C    -0.1414    0.1276
            2   C8y C    -0.8552    0.5414
            3   C8y C    -0.1414   -0.7034
            4   C5a C     0.5724    0.5379
            5   C8y C    -1.5759    0.1276
            6   O1a O    -0.8655    1.3724
            7   N4x N    -0.8552   -1.1172
            8   O5x O     0.5724   -1.1172
            9   C1c C     1.2897    0.1207
            10  O5a O     0.5690    1.3690
            11  C8y C    -1.5759   -0.7034
            12  O2a O    -2.2897    0.5414
            13  C1b C     2.0069    0.5345
            14  C1a C     1.2862   -0.7069
            15  O2a O    -2.2897   -1.1172
            16  C1a C    -3.0069    0.1310
            17  C2b C     2.7241    0.1172
            18  C1a C    -3.0069   -0.7034
            19  C2b C     3.4345    0.5310
            20  C1a C     4.1517    0.1138
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 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    9  13 1
            13    9  14 1 #Up
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   15  18 1
            18   17  19 2
            19   19  20 1
            20    7  11 1


entry: C10151
name: --- - 3-Hydroxystachydrine
formula: C7H13NO3
kcf:
ATOM        11
            1   C1y C    11.3717   -8.4923
            2   N2y N    11.6148   -9.2710 #+
            3   C1y C    12.0299   -8.0280
            4   C6a C    10.6877   -8.1581
            5   C1x C    12.4244   -9.2753
            6   C1a C    11.9583   -9.9951
            7   C1a C    10.7727   -9.2601
            8   C1x C    12.6777   -8.5046
            9   O1a O    12.0396   -7.2573
            10  O6a O    10.6917   -7.2554
            11  O0  O     9.8668   -8.6866 #-
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 2
            10    4  11 1
            11    5   8 1


entry: C10152
name: --- - (-)-Hygroline
formula: C8H17NO
kcf:
ATOM        10
            1   C1y C    14.6143  -10.2908
            2   N1y N    13.9419   -9.8046
            3   C1x C    14.3592  -11.0770
            4   C1b C    15.3281   -9.8736
            5   C1x C    13.2730  -10.2908
            6   C1a C    13.9350   -8.9736
            7   C1x C    13.5281  -11.0770
            8   C1c C    16.0454  -10.2874
            9   C1a C    16.7626   -9.8736
            10  O1a O    16.0419  -11.1150
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     8   9 1
            9     8  10 1 #Up
            10    5   7 1


entry: C10153
name: --- - Isolobinine
formula: C18H25NO2
kcf:
ATOM        21
            1   C1y C    16.0284  -13.5489
            2   N1y N    15.3147  -13.9627
            3   C1b C    16.7422  -13.9558
            4   C1x C    16.0284  -12.7213
            5   C1y C    14.5940  -13.5489
            6   C1a C    15.3043  -14.7903
            7   C5a C    17.4560  -13.5455
            8   C2x C    15.3147  -12.3041
            9   C2x C    14.5940  -12.7213
            10  C1b C    13.8767  -13.9627
            11  C8y C    18.1733  -13.9524
            12  O5a O    17.4526  -12.7144
            13  C1c C    13.1595  -13.5489
            14  C8x C    18.1664  -14.7834
            15  C8x C    18.8940  -13.5455
            16  C1b C    12.4422  -13.9627
            17  O1a O    13.1560  -12.7213
            18  C8x C    18.8836  -15.2041
            19  C8x C    19.6078  -13.9593
            20  C1a C    11.7319  -13.5489
            21  C8x C    19.6043  -14.7903
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    7  12 2
            12   10  13 1
            13   11  14 2
            14   11  15 1
            15   13  16 1
            16   13  17 1 #Either
            17   14  18 1
            18   15  19 2
            19   16  20 1
            20   18  21 2
            21    8   9 2
            22   19  21 1


entry: C10154
name: --- - Juliflorine
formula: C40H75N3O2
kcf:
ATOM        45
            1   C1y C     8.8016  -12.3106
            2   C1x C     8.8016  -13.9474
            3   C2x C     8.0981  -12.7195
            4   C1b C     8.7940  -11.4925
            5   C2y C     8.0946  -13.5342
            6   C1b C     8.0912  -11.0833
            7   C1b C     7.2800  -13.5342
            8   C1b C     7.3875  -11.4925
            9   C1b C     6.5728  -13.9474
            10  C1b C     6.6763  -11.0833
            11  C1b C     5.8651  -13.5453
            12  C1b C     5.9727  -11.4925
            13  C1b C     5.1581  -13.9468
            14  C1b C     5.2614  -11.0833
            15  C1b C     4.4468  -13.5487
            16  C1b C     4.5621  -11.4925
            17  C1b C     3.7474  -13.9502
            18  C1b C     3.8543  -11.0833
            19  C1b C     3.0431  -13.5522
            20  C1b C     3.1508  -11.4925
            21  C1b C     2.3361  -13.9537
            22  C1b C     2.4437  -11.0833
            23  C1b C     1.6283  -13.5556
            24  C1y C     1.6214  -11.0833
            25  C1b C     0.9212  -13.9571
            26  N1x N     0.9178  -11.4959
            27  C1x C     1.6222  -10.2686
            28  C1y C     0.2177  -13.5591
            29  C1y C     0.2073  -11.0902
            30  C1x C     0.9109   -9.8597
            31  N1x N    -0.4860  -13.9606
            32  C1x C     0.2177  -12.7444
            33  C1y C     0.2039  -10.2755
            34  C1a C    -0.4998  -11.4925
            35  C1y C    -1.1930  -13.5591
            36  C1x C    -0.4860  -12.3278
            37  O1a O    -0.5108   -9.8597
            38  C1y C    -1.1930  -12.7444
            39  C1a C    -1.9041  -13.9571
            40  O1a O    -1.9041  -12.3278
            41  C1y C     9.5083  -12.7206
            42  N1y N     9.5121  -13.5418
            43  C1x C    10.9353  -13.5351
            44  C1x C    10.9315  -12.7139
            45  C1x C    10.2159  -12.3046
BOND        48
            1     2   5 1
            2     4   6 1
            3     5   7 1
            4     6   8 1
            5     7   9 1
            6     8  10 1
            7     9  11 1
            8    10  12 1
            9    11  13 1
            10   12  14 1
            11   13  15 1
            12   14  16 1
            13   15  17 1
            14   16  18 1
            15   17  19 1
            16   18  20 1
            17   19  21 1
            18   20  22 1
            19   21  23 1
            20   24  22 1 #Up
            21   23  25 1
            22   24  26 1
            23   24  27 1
            24   25  28 1
            25   26  29 1
            26   27  30 1
            27   28  31 1
            28   28  32 1
            29   29  33 1
            30   29  34 1 #Up
            31   31  35 1
            32   32  36 1
            33   33  37 1 #Up
            34   35  38 1
            35   35  39 1 #Up
            36   38  40 1 #Up
            37    3   5 2
            38   30  33 1
            39   36  38 1
            40   41   1 1
            41   42   2 1
            42    1   3 1
            43    1   4 1 #Either
            44   41  42 1
            45   43  44 1
            46   44  45 1
            47   45  41 1
            48   42  43 1


entry: C10155
name: --- - Lentiginosine
formula: C8H15NO2
kcf:
ATOM        11
            1   C1x C     4.0624  -13.2267
            2   C1x C     4.0624  -11.6583
            3   C1x C     3.3826  -12.8337
            4   C1x C     3.3826  -12.0513
            5   C1y C     4.7393  -12.0513
            6   N1y N     4.7415  -12.8330
            7   C1x C     6.1009  -12.8291
            8   C1y C     6.0987  -12.0475
            9   C1y C     5.4179  -11.6586
            10  O1a O     5.4157  -10.8711
            11  O1a O     6.7787  -11.6539
BOND        12
            1     6   1 1
            2     5   2 1
            3     1   3 1
            4     2   4 1
            5     5   6 1
            6     7   8 1
            7     8   9 1
            8     9   5 1
            9     6   7 1
            10    3   4 1
            11    9  10 1 #Down
            12    8  11 1 #Up


entry: C10156
name: --- - Lobelanidine
formula: C22H29NO2
kcf:
ATOM        25
            1   C1y C    15.5953  -14.3786
            2   N1y N    16.3125  -14.7924
            3   C1b C    14.8780  -14.7924
            4   C1x C    15.5953  -13.5510
            5   C1y C    17.0297  -14.3820
            6   C1a C    16.3091  -15.6199
            7   C1c C    14.1608  -14.3820
            8   C1x C    16.3159  -13.1372
            9   C1b C    17.7470  -14.7924
            10  C1x C    17.0297  -13.5544
            11  C8y C    13.4539  -14.7958
            12  O1a O    14.1573  -13.5544
            13  C1c C    18.4608  -14.3786
            14  C8x C    13.4539  -15.6234
            15  C8x C    12.7366  -14.3820
            16  C8y C    19.1746  -14.7924
            17  O1a O    18.4573  -13.5510
            18  C8x C    12.7366  -16.0406
            19  C8x C    12.0159  -14.7958
            20  C8x C    19.1711  -15.6199
            21  C8x C    19.8953  -14.3820
            22  C8x C    12.0159  -15.6234
            23  C8x C    19.8884  -16.0406
            24  C8x C    20.6125  -14.7992
            25  C8x C    20.6091  -15.6268
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    7  12 1 #Down
            12    9  13 1
            13   11  14 1
            14   11  15 2
            15   13  16 1
            16   13  17 1 #Down
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   21  24 2
            24   23  25 2
            25    8  10 1
            26   19  22 2
            27   24  25 1


entry: C10157
name: --- - Lobelanine
formula: C22H25NO2
kcf:
ATOM        25
            1   C1y C    15.5953  -14.3786
            2   N1y N    16.3125  -14.7924
            3   C1b C    14.8780  -14.7924
            4   C1x C    15.5953  -13.5510
            5   C1y C    17.0297  -14.3820
            6   C1a C    16.3091  -15.6199
            7   C5a C    14.1608  -14.3820
            8   C1x C    16.3159  -13.1372
            9   C1b C    17.7470  -14.7924
            10  C1x C    17.0297  -13.5544
            11  C8y C    13.4539  -14.7958
            12  O5a O    14.1573  -13.5544
            13  C5a C    18.4608  -14.3786
            14  C8x C    13.4539  -15.6234
            15  C8x C    12.7366  -14.3820
            16  C8y C    19.1746  -14.7924
            17  O5a O    18.4573  -13.5510
            18  C8x C    12.7366  -16.0406
            19  C8x C    12.0159  -14.7958
            20  C8x C    19.1711  -15.6199
            21  C8x C    19.8953  -14.3820
            22  C8x C    12.0159  -15.6234
            23  C8x C    19.8884  -16.0406
            24  C8x C    20.6125  -14.7992
            25  C8x C    20.6091  -15.6268
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    7  12 2
            12    9  13 1
            13   11  14 1
            14   11  15 2
            15   13  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   21  24 2
            24   23  25 2
            25    8  10 1
            26   19  22 2
            27   24  25 1


entry: C10158
name: --- - Mearsine
formula: C9H13NO
kcf:
ATOM        11
            1   C1y C    -0.0793   -0.0310
            2   C1y C     0.7690   -0.5379
            3   C5x C    -0.9690   -0.5000
            4   C2y C    -0.0793    0.7069
            5   C1x C     1.2000    0.0690
            6   C1a C     0.7655   -1.3690
            7   C1x C    -0.5552    0.1483
            8   O5x O    -0.9724   -1.3310
            9   N2x N     0.3621    1.1517
            10  C1a C    -0.8000    1.1241
            11  C1y C     0.3655    0.5690
BOND        12
            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 2
            9     4  10 1
            10    5  11 1
            11    7  11 1
            12    9  11 1


entry: C10159
name: --- - (+)-N-Methylconiine
formula: C9H19N
kcf:
ATOM        10
            1   C1y C    15.9557  -14.5844
            2   N1y N    15.2385  -14.1740
            3   C1x C    15.9557  -15.4154
            4   C1b C    16.6695  -14.1775
            5   C1x C    14.5247  -14.5844
            6   C1a C    15.2316  -13.3430
            7   C1x C    15.2385  -15.8292
            8   C1b C    17.3868  -14.5878
            9   C1x C    14.5247  -15.4154
            10  C1a C    18.1040  -14.1809
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     8  10 1
            10    7   9 1


entry: C10160
name: --- - Myosmine
formula: C9H10N2
kcf:
ATOM        11
            1   C2y C     0.5034    0.2897
            2   C8y C    -0.2138   -0.1207
            3   C1x C     0.5897    1.1103
            4   N2x N     1.2552   -0.0448
            5   C8x C    -0.9241    0.2897
            6   C8x C    -0.2138   -0.9483
            7   C1x C     1.3966    1.2828
            8   C1x C     1.8103    0.5690
            9   C8x C    -1.6414   -0.1207
            10  N5x N    -0.9241   -1.3586
            11  C8x C    -1.6414   -0.9483
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    9  11 1
            11    7   8 1
            12   10  11 2


entry: C10161
name: --- - Nicotyrine - beta-Nicotyrine
formula: C10H10N2
kcf:
ATOM        12
            1   C8y C     0.4034    0.3655
            2   C8y C    -0.3172   -0.0517
            3   N4y N     1.1552    0.0276
            4   C8x C     0.4897    1.1931
            5   C8x C    -1.0345    0.3655
            6   C8x C    -0.3172   -0.8793
            7   C8x C     1.7138    0.6448
            8   C1a C     1.1517   -0.8000
            9   C8x C     1.3000    1.3621
            10  C8x C    -1.7552   -0.0517
            11  N5x N    -1.0345   -1.2966
            12  C8x C    -1.7552   -0.8793
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11   10  12 1
            12    7   9 2
            13   11  12 2


entry: C10162
name: --- - Nigrifactin
formula: C12H17N
kcf:
ATOM        13
            1   C2y C    -1.2069    0.0690
            2   C2b C    -0.5000    0.4793
            3   C1x C    -1.2069   -0.7621
            4   N2x N    -1.9241    0.4862
            5   C2b C     0.2172    0.0621
            6   C1x C    -1.9241   -1.1724
            7   C1x C    -2.6448    0.0690
            8   C2b C     0.9345    0.4759
            9   C1x C    -2.6448   -0.7621
            10  C2b C     1.6517    0.0586
            11  C2b C     2.3690    0.4724
            12  C2b C     3.0828    0.0552
            13  C1a C     3.8000    0.4690
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     8  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13    7   9 1


entry: C10163
name: --- - Nitramine
formula: C10H19NO
kcf:
ATOM        12
            1   C1z C    14.3907  -10.9939
            2   C1y C    14.3957  -10.1704
            3   C1x C    13.6767  -10.5868
            4   C1x C    15.1043  -11.4127
            5   C1x C    14.3981  -11.8164
            6   C1x C    15.1053   -9.7607
            7   O1a O    13.6705   -9.7690
            8   C1x C    12.9671  -10.9965
            9   C1x C    15.8216  -10.9994
            10  N1x N    13.6822  -12.2346
            11  C1x C    15.8206  -10.1725
            12  C1x C    12.9681  -11.8234
BOND        13
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     1   5 1 #Down
            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    8  12 1
            12    9  11 1
            13   10  12 1


entry: C10164
name: --- - Picolinic acid - 2-Pyridinecarboxylic acid
formula: C6H5NO2
kcf:
ATOM        9
            1   C8y C    16.3107  -14.1903
            2   C8x C    16.3066  -15.0178
            3   N5x N    15.5954  -13.7730
            4   C6a C    17.0265  -13.7835
            5   C8x C    15.5873  -15.4315
            6   C8x C    14.8727  -14.1832
            7   O6a O    17.7348  -14.2006
            8   O6a O    17.0270  -12.9558
            9   C8x C    14.8687  -15.0108
BOND        9
            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 2
            8     5   9 1
            9     6   9 2


entry: C10165
name: --- - Pinidine - Piperidine, 2-methyl-6-(1-propenyl)-, (2R-(2alpha,6alpha(E)))- - (-)-Pinidine
formula: C9H17N
kcf:
ATOM        10
            1   C1y C    11.6047   -9.0009
            2   N1x N    10.8917   -8.5878
            3   C1x C    11.6047   -9.8242
            4   C2b C    12.3143   -8.5913
            5   C1y C    10.1751   -9.0009
            6   C1x C    10.8917  -10.2380
            7   C2b C    13.0275   -9.0043
            8   C1x C    10.1751   -9.8242
            9   C1a C     9.4544   -8.5878
            10  C1a C    13.7405   -8.5947
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 1 #Up
            9     7  10 1
            10    6   8 1


entry: C10166
name: --- - Piplartine - Piperlongumine
formula: C17H19NO5
kcf:
ATOM        23
            1   C8y C     2.2388  -13.1419
            2   C8y C     2.2388  -13.9730
            3   C8x C     2.9595  -12.7316
            4   O2a O     1.5216  -12.7316
            5   C8y C     2.9595  -14.3902
            6   O2a O     1.5216  -14.3902
            7   C8y C     3.6733  -13.1419
            8   C1a C     0.8078  -13.1385
            9   C8x C     3.6733  -13.9730
            10  O2a O     2.9560  -15.2143
            11  C1a C     0.8078  -13.9730
            12  C2b C     4.3836  -12.7316
            13  C1a C     2.2388  -15.6212
            14  C2b C     5.1009  -13.1385
            15  C5a C     5.8181  -12.7247
            16  O5a O     6.5325  -13.1374
            17  N1y N     5.8183  -11.8997
            18  C5x C     6.5301  -11.4912
            19  C2x C     6.5304  -10.6662
            20  C2x C     5.8160  -10.2535
            21  C1x C     5.1014  -10.6658
            22  C1x C     5.1012  -11.4908
            23  O5x O     7.2440  -11.9047
BOND        24
            1     5   9 1
            2     5  10 1
            3     6  11 1
            4     7  12 1
            5    10  13 1
            6    12  14 2
            7    14  15 1
            8     7   9 2
            9    15  16 2
            10    1   2 1
            11   15  17 1
            12    1   3 2
            13    1   4 1
            14    2   5 2
            15    2   6 1
            16    3   7 1
            17   17  18 1
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 1
            22   22  17 1
            23    4   8 1
            24   18  23 2


entry: C10167
name: --- - (+)-Prosopinine
formula: C18H35NO3
kcf:
ATOM        22
            1   C1y C    13.4669  -14.1345
            2   N1x N    12.7531  -13.7172
            3   C1x C    13.4669  -14.9621
            4   C1b C    14.1807  -13.7172
            5   C1y C    12.0324  -14.1345
            6   C1x C    12.7531  -15.3759
            7   C1b C    14.8980  -14.1310
            8   C1y C    12.0324  -14.9621
            9   C1b C    11.3117  -13.7172
            10  C1b C    15.6117  -13.7138
            11  O1a O    11.3117  -15.3724
            12  O1a O    10.5911  -14.1310
            13  C1b C    16.3290  -14.1241
            14  C1b C    17.0462  -13.7103
            15  C1b C    17.7635  -14.1207
            16  C1b C    18.4807  -13.7034
            17  C1b C    19.1911  -14.1172
            18  C1b C    19.9083  -13.7000
            19  C5a C    20.6255  -14.1138
            20  C1b C    21.3428  -13.6966
            21  O5a O    20.6221  -14.9414
            22  C1a C    22.0600  -14.1103
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1 #Up
            9     7  10 1
            10    8  11 1 #Down
            11    9  12 1
            12   10  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21   20  22 1
            22    6   8 1


entry: C10168
name: --- - Pseudoconhydrine
formula: C8H17NO
kcf:
ATOM        10
            1   C1y C    10.3922   -7.6936
            2   C1x C    10.3922   -8.5212
            3   N1x N     9.6750   -7.2764
            4   C1b C    11.1060   -7.2799
            5   C1x C     9.6750   -8.9350
            6   C1x C     8.9543   -7.6936
            7   C1b C    11.8233   -7.6971
            8   C1y C     8.9543   -8.5212
            9   C1a C    12.5405   -7.2833
            10  O1a O     8.2336   -8.9316
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     8  10 1 #Down
            10    6   8 1


entry: C10169
name: --- - Ruspolinone
formula: C14H19NO3
kcf:
ATOM        18
            1   C8y C    -0.1414   -0.0345
            2   C8x C    -0.8586    0.3828
            3   C5a C     0.5690    0.3793
            4   C8x C    -0.1414   -0.8621
            5   C8y C    -1.5793   -0.0345
            6   C1b C     1.2862   -0.0379
            7   O5a O     0.5655    1.2069
            8   C8x C    -0.8586   -1.2759
            9   C8y C    -1.5793   -0.8621
            10  O2a O    -2.2966    0.3828
            11  C1y C     2.0035    0.3724
            12  O2a O    -2.2966   -1.2759
            13  C1a C    -3.0138   -0.0345
            14  C1x C     2.2621    1.1586
            15  N1x N     2.6655   -0.1172
            16  C1a C    -3.0138   -0.8621
            17  C1x C     3.0862    1.1552
            18  C1x C     3.3379    0.3690
BOND        19
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   11  15 1
            15   12  16 1
            16   14  17 1
            17   15  18 1
            18    8   9 1
            19   17  18 1


entry: C10170
name: --- - (-)-Santiaguine
formula: C38H48N4O2
kcf:
ATOM        44
            1   C1y C     7.8770   -6.3221
            2   C1y C     7.8770   -5.4911
            3   C1y C     7.0460   -6.3221
            4   C8y C     8.5977   -6.7324
            5   C1y C     7.0460   -5.4911
            6   C5a C     8.5943   -5.0807
            7   C5a C     6.3357   -6.7324
            8   C8x C     9.3184   -6.3152
            9   C8x C     8.5977   -7.5635
            10  C8y C     6.3357   -5.0738
            11  N1y N     8.5908   -4.2566
            12  O5a O     9.3150   -5.4876
            13  N1y N     6.3357   -7.5600
            14  O5a O     5.6184   -6.3117
            15  C8x C    10.0391   -6.7359
            16  C8x C     9.3150   -7.9842
            17  C8x C     5.6184   -5.4876
            18  C8x C     6.3357   -4.2462
            19  C2x C     9.3081   -3.8428
            20  C1x C     7.8736   -3.8393
            21  C2x C     5.6184   -7.9738
            22  C1x C     7.0529   -7.9669
            23  C8x C    10.0357   -7.5669
            24  C8x C     4.9012   -5.0773
            25  C8x C     5.6150   -3.8324
            26  C2y C     9.3115   -3.0117
            27  C1x C     7.8736   -3.0117
            28  C2y C     5.6219   -8.8083
            29  C1x C     7.0598   -8.7945
            30  C8x C     4.9012   -4.2497
            31  C1y C    10.0288   -2.6049
            32  C1x C     8.5908   -2.5980
            33  C1y C     4.9115   -9.2221
            34  C1x C     6.3460   -9.2152
            35  C1x C    10.0288   -1.7762
            36  N1x N    10.7426   -3.0152
            37  C1x C     4.9150  -10.0497
            38  N1x N     4.1908   -8.8118
            39  C1x C    10.7426   -1.3650
            40  C1x C    11.4633   -2.6049
            41  C1x C     4.1977  -10.4704
            42  C1x C     3.4736   -9.2290
            43  C1x C    11.4633   -1.7762
            44  C1x C     3.4770  -10.0566
BOND        50
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 2
            14    8  15 1
            15    9  16 2
            16   10  17 2
            17   10  18 1
            18   11  19 1
            19   11  20 1
            20   13  21 1
            21   13  22 1
            22   15  23 2
            23   17  24 1
            24   18  25 2
            25   19  26 2
            26   20  27 1
            27   21  28 2
            28   22  29 1
            29   24  30 2
            30   26  31 1
            31   26  32 1
            32   28  33 1
            33   28  34 1
            34   31  35 1
            35   31  36 1
            36   33  37 1
            37   33  38 1
            38   35  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   39  43 1
            43   41  44 1
            44    3   5 1
            45   16  23 1
            46   25  30 1
            47   27  32 1
            48   29  34 1
            49   40  43 1
            50   42  44 1


entry: C10171
name: --- - (-)-Sedamine
formula: C14H21NO
kcf:
ATOM        16
            1   C1y C     7.6540   -6.9181
            2   C1b C     8.3643   -7.3319
            3   N1y N     6.9368   -7.3319
            4   C1x C     7.6540   -6.0940
            5   C1c C     9.0781   -6.9181
            6   C1x C     6.2230   -6.9181
            7   C1a C     6.9436   -8.1560
            8   C1x C     6.9368   -5.6802
            9   C8y C     9.7919   -7.3319
            10  O1a O     9.0816   -6.0940
            11  C1x C     6.2230   -6.0940
            12  C8x C    10.5057   -6.9181
            13  C8x C     9.7885   -8.1560
            14  C8x C    11.2230   -7.3319
            15  C8x C    10.5057   -8.5733
            16  C8x C    11.2230   -8.1595
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Down
            10    6  11 1
            11    9  12 2
            12    9  13 1
            13   12  14 1
            14   13  15 2
            15   14  16 2
            16    8  11 1
            17   15  16 1


entry: C10172
name: --- - Stachydrine
formula: C7H13NO2
kcf:
ATOM        10
            1   C6a C     3.8983  -11.6839
            2   O6a O     3.8543  -10.7717
            3   O0  O     3.0656  -12.2211 #-
            4   C1y C     4.4964  -12.0941
            5   N2y N     4.7677  -12.8413 #+
            6   C1x C     5.1244  -11.6046
            7   C1x C     5.5667  -12.8119
            8   C1a C     5.1323  -13.5922
            9   C1a C     3.9608  -12.8252
            10  C1x C     5.7849  -12.0471
BOND        10
            1     1   2 2
            2     1   3 1
            3     4   5 1
            4     4   6 1
            5     5   7 1
            6     5   8 1
            7     5   9 1
            8     6  10 1
            9     7  10 1
            10    4   1 1 #Down


entry: C10173
name: --- - Swainsonine
formula: C8H15NO3
kcf:
ATOM        12
            1   C1x C     4.0609  -13.3529
            2   C1y C     4.0609  -11.7837
            3   C1x C     3.3846  -12.9634
            4   C1x C     3.3846  -12.1767
            5   O1a O     4.0582  -11.0013
            6   C1y C     4.7414  -12.1767
            7   N1y N     4.7371  -12.9624
            8   C1x C     6.0963  -12.9698
            9   C1y C     6.1005  -12.1841
            10  C1y C     5.4231  -11.7896
            11  O1a O     5.4274  -11.0063
            12  O1a O     6.7796  -11.7962
BOND        13
            1     7   1 1
            2     6   2 1
            3     1   3 1
            4     2   4 1
            5     6   7 1
            6     8   9 1
            7     9  10 1
            8    10   6 1
            9     7   8 1
            10    2   5 1 #Up
            11   10  11 1 #Down
            12    3   4 1
            13    9  12 1 #Down


entry: C10174
name: --- - Trichostachine
formula: C16H17NO3
kcf:
ATOM        20
            1   C8y C    -2.8207    0.1241
            2   C8y C    -2.8207   -0.7069
            3   C8x C    -2.1000    0.5345
            4   O2x O    -3.6069    0.3759
            5   C8x C    -2.1000   -1.1241
            6   O2x O    -3.6034   -0.9621
            7   C8y C    -1.3862    0.1241
            8   C1x C    -4.0966   -0.2966
            9   C8x C    -1.3828   -0.7069
            10  C2b C    -0.6690    0.5310
            11  C2b C     0.0448    0.1172
            12  C2b C     0.7621    0.5276
            13  C2b C     1.4793    0.1138
            14  C5a C     2.1966    0.5241
            15  N1y N     2.9103    0.1103
            16  O5a O     2.1931    1.3517
            17  C1x C     3.5828    0.6000
            18  C1x C     3.1690   -0.6793
            19  C1x C     4.2552    0.1103
            20  C1x C     4.0000   -0.6793
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 2
            13   13  14 1
            14   14  15 1
            15   14  16 2
            16   15  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20    6   8 1
            21    7   9 1
            22   19  20 1


entry: C10175
name: --- - Quercetin 3-(2G-xylosylrutinoside)
formula: C32H38O20
comment: Flavonol
kcf:
ATOM        52
            1   C1x C    20.4946  -16.1235
            2   C1y C    21.2012  -15.7047
            3   C1y C    21.1979  -14.8771
            4   C1y C    20.4846  -14.4734
            5   C1y C    19.7681  -14.8896
            6   O2x O    19.7749  -15.7121
            7   O1a O    21.9203  -16.1142
            8   O1a O    21.9082  -14.4614
            9   O1a O    20.4759  -13.6489
            10  O2a O    18.9048  -14.3717
            11  C1y C    16.7716  -15.6031
            12  C1y C    17.4841  -16.0109
            13  O2x O    16.7719  -14.7852
            14  C1b C    16.0626  -16.0176
            15  C1y C    18.1930  -15.6051
            16  O1a O    17.4838  -16.8375
            17  C1y C    17.4833  -14.3695
            18  O2a O    16.0593  -16.8337
            19  C1y C    18.1917  -14.7815
            20  O1a O    18.9074  -16.0100
            21  C1y C    16.0930  -17.8384
            22  C1y C    16.8015  -18.2505
            23  O2x O    15.3803  -18.2495
            24  C1y C    16.8014  -19.0693
            25  O1a O    17.5131  -17.8357
            26  C1y C    15.3812  -19.0720
            27  C1y C    16.0939  -19.4799
            28  O1a O    17.5171  -19.4789
            29  C1a C    14.6689  -19.4783
            30  O1a O    16.0972  -20.2999
            31  O2a O    17.4813  -13.5320
            32  C8y C    16.7431  -12.3072
            33  C8y C    16.7397  -13.1245
            34  C8y C    17.4541  -11.9079
            35  O2x O    16.0328  -11.8968
            36  C8y C    16.0259  -13.5313
            37  C8x C    17.4541  -11.0941
            38  C8x C    18.1534  -12.3176
            39  C8y C    15.3259  -12.3038
            40  C8y C    15.3224  -13.1176
            41  O5x O    16.0224  -14.3485
            42  C8y C    18.1603  -10.6831
            43  C8x C    18.8680  -11.9148
            44  C8x C    14.6224  -11.8933
            45  C8y C    14.6224  -13.5278
            46  C8y C    18.8714  -11.0975
            47  O1a O    18.1638   -9.8676
            48  C8y C    13.9197  -12.3038
            49  C8x C    13.9197  -13.1176
            50  O1a O    14.6259  -14.3450
            51  O1a O    19.5776  -10.6900
            52  O1a O    13.2052  -11.8933
BOND        57
            1    21  22 1
            2    21  23 1
            3    22  24 1
            4    22  25 1 #Down
            5    23  26 1
            6    24  27 1
            7    24  28 1 #Down
            8    26  29 1 #Down
            9    27  30 1 #Up
            10   17  19 1
            11   26  27 1
            12   17  31 1 #Up
            13    1   2 1
            14    2   3 1
            15    3   4 1
            16    4   5 1
            17    5   6 1
            18    6   1 1
            19    2   7 1 #Down
            20    3   8 1 #Up
            21    4   9 1 #Down
            22    5  10 1 #Up
            23   11  12 1
            24   11  13 1
            25   11  14 1 #Up
            26   12  15 1
            27   12  16 1 #Down
            28   13  17 1
            29   14  18 1
            30   15  19 1
            31   15  20 1 #Up
            32   21  18 1 #Up
            33   19  10 1 #Down
            34   34  37 1
            35   34  38 2
            36   35  39 1
            37   36  40 1
            38   36  41 2
            39   37  42 2
            40   38  43 1
            41   39  44 1
            42   40  45 1
            43   42  46 1
            44   42  47 1
            45   44  48 2
            46   45  49 2
            47   45  50 1
            48   46  51 1
            49   48  52 1
            50   39  40 2
            51   43  46 2
            52   48  49 1
            53   33  31 1
            54   32  33 2
            55   32  34 1
            56   32  35 1
            57   33  36 1


entry: C10176
name: --- - Rhamnetin - Quercetin 7-methyl ether
formula: C16H12O7
comment: Flavonol
kcf:
ATOM        23
            1   C8y C    -0.9379    0.0069
            2   C8y C    -0.9414   -0.8207
            3   O2x O    -0.2172    0.4172
            4   C8x C    -1.6552    0.4207
            5   C8y C    -0.2241   -1.2414
            6   C8y C    -1.6552   -1.2379
            7   C8y C     0.5000    0.0000
            8   C8y C    -2.3759    0.0069
            9   C8y C     0.4966   -0.8276
            10  O5x O    -0.2276   -2.0690
            11  C8x C    -2.3759   -0.8207
            12  O1a O    -1.6517   -2.0690
            13  C8y C     1.2207    0.4103
            14  O2a O    -3.0897    0.4207
            15  O1a O     1.2138   -1.2483
            16  C8x C     1.2207    1.2379
            17  C8x C     1.9345   -0.0069
            18  C1a C    -3.8069    0.0069
            19  C8y C     1.9414    1.6517
            20  C8x C     2.6517    0.4034
            21  C8y C     2.6552    1.2310
            22  O1a O     1.9448    2.4793
            23  O1a O     3.3759    1.6448
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 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 1
            16   13  17 2
            17   14  18 1
            18   16  19 2
            19   17  20 1
            20   19  21 1
            21   19  22 1
            22   21  23 1
            23    7   9 2
            24    8  11 1
            25   20  21 2


entry: C10177
name: --- - Robinetin - 5-Deoxymyricetin
formula: C15H10O7
comment: Flavonol
kcf:
ATOM        22
            1   C8y C     0.0966   -0.0931
            2   C8y C     0.8172    0.3172
            3   O2x O    -0.6172    0.3241
            4   C8y C     0.0931   -0.9207
            5   C8x C     1.5310   -0.1000
            6   C8x C     0.8172    1.1448
            7   C8y C    -1.3379   -0.0862
            8   C8y C    -0.6241   -1.3345
            9   O1a O     0.8103   -1.3414
            10  C8y C     2.2517    0.3103
            11  C8y C     1.5379    1.5586
            12  C8y C    -1.3414   -0.9138
            13  C8x C    -2.0517    0.3276
            14  O5x O    -0.6276   -2.1621
            15  C8y C     2.2552    1.1379
            16  O1a O     2.9690   -0.1069
            17  O1a O     1.5414    2.3862
            18  C8x C    -2.0517   -1.3310
            19  C8y C    -2.7724   -0.0862
            20  O1a O     2.9759    1.5517
            21  C8x C    -2.7724   -0.9138
            22  O1a O    -3.4931    0.3276
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     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   10  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 2
            19   15  20 1
            20   18  21 2
            21   19  22 1
            22    8  12 1
            23   11  15 1
            24   19  21 1


entry: C10178
name: --- - Robinin
formula: C33H40O19
comment: Flavonol O-glycoside
kcf:
ATOM        52
            1   C1y C    17.5197  -16.7351
            2   C1y C    18.2284  -17.1472
            3   O2x O    17.5232  -15.9139
            4   C1b C    16.8143  -17.1427
            5   C1y C    18.9370  -16.7342
            6   O1a O    18.2310  -17.9647
            7   C1y C    18.2328  -15.5105
            8   O2a O    16.7963  -18.0596
            9   C1y C    18.9373  -15.9184
            10  O1a O    19.6456  -17.1463
            11  O2a O    18.2454  -14.6727
            12  C1y C    16.7978  -19.0406
            13  O1a O    19.6466  -15.5156
            14  C1y C    17.4933  -19.4569
            15  O2x O    16.0841  -19.4307
            16  C1y C    17.4792  -20.2676
            17  O1a O    18.2065  -19.0594
            18  C1y C    16.0740  -20.2430
            19  C1y C    16.7737  -20.6635
            20  O1a O    18.1758  -20.6863
            21  C1a C    15.3586  -20.6359
            22  O1a O    16.7995  -21.4770
            23  C8y C    17.5293  -13.4353
            24  C8y C    17.5259  -14.2526
            25  O2x O    16.8266  -13.0292
            26  C8y C    18.2438  -13.0319
            27  C8y C    16.8197  -14.6637
            28  C8y C    16.1155  -13.4319
            29  C8x C    18.9438  -13.4457
            30  C8x C    18.2438  -12.2181
            31  C8y C    16.1121  -14.2457
            32  O5x O    16.8163  -15.4809
            33  C8x C    15.4163  -13.0258
            34  C8x C    19.6542  -13.0388
            35  C8x C    18.9507  -11.8112
            36  C8y C    15.4163  -14.6602
            37  C8y C    14.6983  -13.4319
            38  C8y C    19.6576  -12.2215
            39  C8x C    14.6983  -14.2457
            40  O1a O    15.4163  -15.4775
            41  O2a O    13.9190  -12.9422
            42  O1a O    20.3680  -11.8181
            43  C1y C    13.0948  -13.4871
            44  C1y C    13.0948  -14.3043
            45  O2x O    12.3955  -13.0802
            46  C1y C    12.3955  -14.7147
            47  O1a O    13.8094  -14.7147
            48  C1y C    11.6810  -13.4871
            49  C1y C    11.6810  -14.3043
            50  O1a O    12.3955  -15.5361
            51  C1a C    10.9749  -13.0802
            52  O1a O    10.9749  -14.7147
BOND        57
            1     3   7 1
            2     4   8 1
            3     5   9 1
            4     5  10 1 #Up
            5     7  11 1 #Up
            6    12   8 1 #Up
            7     9  13 1 #Down
            8    12  14 1
            9    12  15 1
            10   14  16 1
            11   14  17 1 #Down
            12   15  18 1
            13   16  19 1
            14   16  20 1 #Down
            15   18  21 1 #Down
            16   19  22 1 #Up
            17    7   9 1
            18   18  19 1
            19    1   2 1
            20    1   3 1
            21    1   4 1 #Up
            22    2   5 1
            23    2   6 1 #Up
            24   23  24 2
            25   23  25 1
            26   23  26 1
            27   24  27 1
            28   25  28 1
            29   26  29 2
            30   26  30 1
            31   27  31 1
            32   27  32 2
            33   28  33 1
            34   29  34 1
            35   30  35 2
            36   31  36 1
            37   33  37 2
            38   34  38 2
            39   36  39 2
            40   36  40 1
            41   37  41 1
            42   38  42 1
            43   43  41 1 #Up
            44   43  44 1
            45   43  45 1
            46   44  46 1
            47   44  47 1 #Down
            48   45  48 1
            49   46  49 1
            50   46  50 1 #Down
            51   48  51 1 #Down
            52   49  52 1 #Up
            53   28  31 2
            54   35  38 1
            55   37  39 1
            56   48  49 1
            57   24  11 1


entry: C10179
name: --- - Robustaflavone - 3',6''-Biapigenin
formula: C30H18O10
comment: Biflavone
kcf:
ATOM        40
            1   C8y C     2.1724    0.0414
            2   C8y C     1.4552   -0.3655
            3   O2x O     2.8828   -0.3724
            4   C8x C     2.1759    0.8724
            5   C8y C     0.7379    0.0483
            6   C8y C     1.4517   -1.1897
            7   C8y C     2.8793   -1.2000
            8   C8y C     1.4586    1.2931
            9   C8y C     0.7414    0.8724
            10  O1a O     0.0172   -0.3621
            11  C8x C     2.1655   -1.6103
            12  O5x O     0.7310   -1.6035
            13  C8y C     3.5966   -1.6172
            14  O1a O     1.4621    2.1207
            15  C8y C     0.0241    1.2931
            16  C8x C     3.5897   -2.4483
            17  C8x C     4.3138   -1.2069
            18  C8x C    -0.6966    0.8793
            19  C8y C     0.0276    2.1241
            20  C8x C     4.3069   -2.8621
            21  C8x C     5.0310   -1.6276
            22  C8y C    -1.4103    1.3000
            23  C8x C    -0.6897    2.5379
            24  O1a O     0.7483    2.5310
            25  C8y C     5.0276   -2.4552
            26  C8y C    -2.1310    0.8897
            27  C8x C    -1.4103    2.1276
            28  O1a O     5.7414   -2.8724
            29  O2x O    -2.8448    1.3069
            30  C8x C    -2.1345    0.0586
            31  C8y C    -3.5655    0.8931
            32  C8y C    -2.8517   -0.3517
            33  C8y C    -3.5690    0.0655
            34  C8x C    -4.2828    1.3103
            35  O5x O    -2.8552   -1.1793
            36  C8y C    -4.2828   -0.3483
            37  C8y C    -5.0034    0.8931
            38  C8x C    -5.0034    0.0655
            39  O1a O    -4.2793   -1.1759
            40  O1a O    -5.7207    1.3103
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 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   13  17 1
            17   15  18 1
            18   15  19 2
            19   16  20 1
            20   17  21 2
            21   18  22 2
            22   19  23 1
            23   19  24 1
            24   20  25 2
            25   22  26 1
            26   22  27 1
            27   25  28 1
            28   26  29 1
            29   26  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  11 2
            41    8   9 1
            42   21  25 1
            43   23  27 2
            44   32  33 1
            45   37  38 1


entry: C10180
name: --- - Santin
formula: C18H16O7
kcf:
ATOM        25
            1   C8y C    -0.9793   -0.6586
            2   C8y C    -0.9759    0.1724
            3   C8y C    -0.2621   -1.0724
            4   C8y C    -1.6931   -1.0690
            5   O2x O    -0.2552    0.5862
            6   C8x C    -1.6931    0.5897
            7   C8y C     0.4552   -0.6655
            8   O5x O    -0.2655   -1.9035
            9   C8y C    -2.4103   -0.6586
            10  O1a O    -1.6897   -1.9000
            11  C8y C     0.4586    0.1655
            12  C8y C    -2.4103    0.1724
            13  O2a O     1.1724   -1.0793
            14  O2a O    -3.1310   -1.0690
            15  C8y C     1.1793    0.5793
            16  O1a O    -3.1310    0.5897
            17  C1a C     1.8897   -0.6690
            18  C1a C    -3.8483   -0.6586
            19  C8x C     1.8931    0.1586
            20  C8x C     1.1793    1.4069
            21  C8x C     2.6138    0.5724
            22  C8x C     1.9000    1.8172
            23  C8y C     2.6172    1.4000
            24  O2a O     3.3379    1.8103
            25  C1a C     4.0552    1.3931
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 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 2
            19   15  20 1
            20   19  21 1
            21   20  22 2
            22   21  23 2
            23   23  24 1
            24   24  25 1
            25    7  11 2
            26    9  12 1
            27   22  23 1


entry: C10181
name: --- - Schaftoside
formula: C26H28O14
comment: Flavone C-glycoside
kcf:
ATOM        40
            1   C1y C     4.4802  -17.8142
            2   C1y C     4.4802  -18.6392
            3   C1y C     5.1964  -19.0517
            4   O2x O     5.9084  -18.6392
            5   C1x C     5.9084  -17.8142
            6   C1y C     5.1964  -17.4017
            7   C8y C     5.1974  -19.8767
            8   C8y C     5.9036  -20.2905
            9   C8y C     5.9001  -21.1139
            10  O2x O     6.6200  -19.8802
            11  C8y C     4.4808  -20.2905
            12  C8y C     5.1974  -21.5270
            13  C8y C     6.6132  -21.5305
            14  C8y C     7.3373  -20.2974
            15  C8y C     4.4774  -21.1139
            16  O1a O     3.7643  -19.8767
            17  O1a O     5.1974  -22.3539
            18  C8x C     7.3338  -21.1208
            19  O5x O     6.6097  -22.3539
            20  C8y C     8.0539  -19.8871
            21  C1y C     3.7609  -21.5270
            22  C8x C     8.7635  -20.3043
            23  C8x C     8.0539  -19.0637
            24  O2x O     3.0513  -21.1139
            25  C1y C     3.7609  -22.3539
            26  C8x C     9.4800  -19.8940
            27  C8x C     8.7704  -18.6540
            28  C1y C     2.3347  -21.5270
            29  C1y C     3.0513  -22.7642
            30  O1a O     4.4774  -22.7642
            31  C8y C     9.4834  -19.0706
            32  C1y C     2.3347  -22.3539
            33  C1b C     1.6182  -21.1139
            34  O1a O     3.0513  -23.5911
            35  O1a O    10.2000  -18.6609
            36  O1a O     1.6182  -22.7642
            37  O1a O     0.9010  -21.5270
            38  O1a O     3.7659  -19.0521
            39  O1a O     3.7659  -17.4013
            40  O1a O     5.1974  -16.5767
BOND        44
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   1 1
            6     8   9 2
            7     8  10 1
            8     7  11 2
            9     9  12 1
            10    9  13 1
            11   10  14 1
            12   11  15 1
            13   11  16 1
            14   12  17 1
            15   13  18 1
            16   13  19 2
            17   14  20 1
            18   21  15 1 #Up
            19   20  22 2
            20   20  23 1
            21   21  24 1
            22   21  25 1
            23   22  26 1
            24   23  27 2
            25   24  28 1
            26   25  29 1
            27   25  30 1 #Down
            28   26  31 2
            29   28  32 1
            30   28  33 1 #Up
            31   29  34 1 #Up
            32   31  35 1
            33   32  36 1 #Down
            34   33  37 1
            35   12  15 2
            36   14  18 2
            37   27  31 1
            38   29  32 1
            39    8   7 1
            40    2  38 1 #Down
            41    3   7 1 #Up
            42    1  39 1 #Up
            43    1   2 1
            44    6  40 1 #Up


entry: C10182
name: --- - Sciadopitysin
formula: C33H24O10
comment: Biflavone
kcf:
ATOM        43
            1   C8y C     6.5613  -14.7169
            2   C8y C     6.5613  -13.8893
            3   C8y C     7.2751  -15.1342
            4   O2x O     5.8441  -15.1273
            5   C8y C     5.8441  -13.4721
            6   C8y C     7.2820  -13.4755
            7   C8y C     7.2717  -15.9583
            8   C8y C     7.9958  -14.7204
            9   C8y C     5.8406  -15.9514
            10  C8x C     5.1268  -13.8824
            11  C8y C     5.8475  -12.6445
            12  C8x C     7.9992  -13.8928
            13  O1a O     7.2855  -12.6480
            14  C8x C     6.5544  -16.3652
            15  O5x O     7.9889  -16.3755
            16  O1a O     8.7130  -15.1411
            17  C8y C     5.1199  -16.3618
            18  C8y C     4.4096  -13.4652
            19  C8x C     5.1337  -12.2238
            20  O2a O     6.5682  -12.2307
            21  C8x C     4.4027  -15.9445
            22  C8x C     5.1165  -17.1893
            23  C8y C     3.6958  -13.8755
            24  C8x C     4.4130  -12.6376
            25  C1a C     6.5717  -11.3997
            26  C8x C     3.6889  -16.3548
            27  C8x C     4.3958  -17.6031
            28  O2x O     2.9786  -13.4583
            29  C8x C     3.6924  -14.7031
            30  C8y C     3.6820  -17.1824
            31  C8y C     2.2579  -13.8686
            32  C8y C     2.9717  -15.1169
            33  O2a O     2.9613  -17.5962
            34  C8y C     2.2544  -14.6962
            35  C8x C     1.5406  -13.4549
            36  O5x O     2.9682  -15.9480
            37  C8y C     1.5406  -15.1135
            38  C8y C     0.8199  -13.8686
            39  C8x C     0.8199  -14.6962
            40  O1a O     1.5441  -15.9445
            41  O2a O     0.1027  -13.4549
            42  C1a C    -0.6180  -13.8686
            43  C1a C     2.2479  -17.1820
BOND        48
            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
            48   33  43 1


entry: C10183
name: --- - Scullcapflavone II
formula: C19H18O8
comment: Flavone
kcf:
ATOM        27
            1   C8y C    -0.4793    0.0966
            2   C8y C    -0.4828   -0.7310
            3   C8y C    -1.1931    0.5138
            4   O2x O     0.2379    0.5103
            5   C8y C    -1.1931   -1.1448
            6   C8y C     0.2310   -1.1483
            7   C8y C    -1.9138    0.0966
            8   O2a O    -1.1931    1.3414
            9   C8y C     0.9552    0.0897
            10  C8y C    -1.9138   -0.7310
            11  O1a O    -1.1931   -1.9759
            12  C8x C     0.9517   -0.7379
            13  O5x O     0.2276   -1.9759
            14  O2a O    -2.6345    0.5138
            15  C1a C    -1.9069    1.7552
            16  C8y C     1.6759    0.5034
            17  O2a O    -2.6345   -1.1448
            18  C1a C    -3.3517    0.0966
            19  C8y C     2.3897    0.0828
            20  C8y C     1.6759    1.3310
            21  C1a C    -3.3517   -0.7345
            22  C8x C     3.1103    0.4966
            23  O2a O     2.3862   -0.7483
            24  C8x C     2.3966    1.7414
            25  O1a O     0.9586    1.7448
            26  C8x C     3.1138    1.3241
            27  C1a C     3.1000   -1.1621
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     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   14  18 1
            18   16  19 2
            19   16  20 1
            20   17  21 1
            21   19  22 1
            22   19  23 1
            23   20  24 2
            24   20  25 1
            25   22  26 2
            26   23  27 1
            27    7  10 1
            28    9  12 2
            29   24  26 1


entry: C10184
name: --- - Scutellarein - Isocarthamidin - 6-Hydroxyapigenin
formula: C15H10O6
comment: Flavone
kcf:
ATOM        21
            1   C8y C    -0.8207    0.1241
            2   C8y C    -0.8241   -0.7069
            3   O2x O    -0.1000    0.5379
            4   C8x C    -1.5345    0.5414
            5   C8y C    -0.1069   -1.1207
            6   C8y C    -1.5345   -1.1172
            7   C8y C     0.6138    0.1172
            8   C8y C    -2.2552    0.1241
            9   C8x C     0.6103   -0.7103
            10  O5x O    -0.1103   -1.9517
            11  C8y C    -2.2552   -0.7069
            12  O1a O    -1.5345   -1.9483
            13  C8y C     1.3345    0.5310
            14  O1a O    -2.9759    0.5414
            15  O1a O    -2.9759   -1.1172
            16  C8x C     2.0483    0.1103
            17  C8x C     1.3345    1.3586
            18  C8x C     2.7690    0.5241
            19  C8x C     2.0552    1.7690
            20  C8y C     2.7724    1.3517
            21  O1a O     3.4931    1.7621
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    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   20  21 1
            21    7   9 2
            22    8  11 1
            23   19  20 1


entry: C10185
name: --- - Sexangularetin - Herbacetin 8-methyl ether
formula: C16H12O7
comment: Flavonol
kcf:
ATOM        23
            1   C8y C    -0.8414   -0.0138
            2   C8y C    -0.8448   -0.8414
            3   C8y C    -1.5586    0.4034
            4   O2x O    -0.1207    0.4000
            5   C8y C    -0.1276   -1.2586
            6   C8y C    -1.5586   -1.2552
            7   C8y C    -2.2793   -0.0138
            8   O2a O    -1.5586    1.2310
            9   C8y C     0.5897   -0.0207
            10  C8y C     0.5862   -0.8483
            11  O5x O    -0.1345   -2.0862
            12  C8x C    -2.2793   -0.8414
            13  O1a O    -1.5552   -2.0828
            14  O1a O    -2.9966    0.4034
            15  C1a C    -2.2724    1.6448
            16  C8y C     1.3103    0.3931
            17  O1a O     1.3035   -1.2655
            18  C8x C     2.0241   -0.0276
            19  C8x C     1.3138    1.2207
            20  C8x C     2.7448    0.3862
            21  C8x C     2.0310    1.6310
            22  C8y C     2.7483    1.2138
            23  O1a O     3.4690    1.6241
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     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   16  18 2
            18   16  19 1
            19   18  20 1
            20   19  21 2
            21   20  22 2
            22   22  23 1
            23    7  12 1
            24    9  10 2
            25   21  22 1


entry: C10186
name: --- - Sinensetin - 5,6,7,3',4'-Pentamethoxyflavone
formula: C20H20O7
comment: Flavone
kcf:
ATOM        27
            1   C8y C     3.9849  -13.1883
            2   C8y C     3.2711  -13.6055
            3   C8y C     3.9884  -12.3607
            4   C8y C     4.6987  -13.6089
            5   C8y C     2.5504  -13.1883
            6   O2a O     3.2711  -14.4331
            7   O2x O     4.7056  -11.9503
            8   C8x C     3.2711  -11.9469
            9   C8x C     5.4159  -13.1951
            10  O5x O     4.6953  -14.4365
            11  C8y C     2.5504  -12.3607
            12  O2a O     1.8332  -13.6055
            13  C1a C     2.5539  -14.8469
            14  C8y C     5.4194  -12.3641
            15  O2a O     1.8332  -11.9469
            16  C1a C     1.1125  -13.1883
            17  C8y C     6.1401  -11.9572
            18  C8x C     6.1401  -11.1296
            19  C8x C     6.8539  -12.3745
            20  C8y C     6.8608  -10.7158
            21  C8x C     7.5746  -11.9641
            22  C8y C     7.5780  -11.1365
            23  O2a O     6.8642   -9.8848
            24  O2a O     8.2987  -10.7227
            25  C1a C     7.5849   -9.4779
            26  C1a C     9.0159  -11.1400
            27  C1a C     1.1188  -12.3596
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     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   12  16 1
            16   14  17 1
            17   17  18 1
            18   17  19 2
            19   18  20 2
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26    8  11 2
            27    9  14 2
            28   21  22 2
            29   15  27 1


entry: C10187
name: --- - Swertiajaponin
formula: C22H22O11
comment: Flavone C-glycoside
kcf:
ATOM        33
            1   C8y C     3.3422  -12.5362
            2   C1y C     2.6285  -12.9466
            3   C8y C     3.3422  -11.7086
            4   C8y C     4.0629  -12.9534
            5   O2x O     1.9147  -12.5362
            6   C1y C     2.6285  -13.7707
            7   C8x C     4.0629  -11.2948
            8   O2a O     2.6250  -11.2948
            9   C8y C     4.7767  -12.5362
            10  O1a O     4.0629  -13.7810
            11  C1y C     1.2009  -12.9466
            12  C1y C     1.9147  -14.1845
            13  O1a O     3.3422  -14.1845
            14  C8y C     4.7802  -11.7086
            15  C8y C     5.4905  -12.9569
            16  C1y C     1.2009  -13.7707
            17  C1b C     0.4871  -12.5362
            18  O1a O     1.9181  -15.0086
            19  O2x O     5.4974  -11.2983
            20  C8x C     6.2078  -12.5431
            21  O5x O     5.4871  -13.7845
            22  O1a O     0.4871  -14.1845
            23  O1a O    -0.2302  -12.9466
            24  C8y C     6.2112  -11.7121
            25  C8y C     6.9319  -11.3052
            26  C8x C     6.9319  -10.4776
            27  C8x C     7.6457  -11.7224
            28  C8y C     7.6526  -10.0638
            29  C8x C     8.3664  -11.3121
            30  C8y C     8.3698  -10.4845
            31  O1a O     7.6560   -9.2328
            32  O1a O     9.0905  -10.0707
            33  C1a C     1.9106  -11.7075
BOND        36
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1 #Down
            13    7  14 1
            14    9  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   12  18 1 #Up
            18   14  19 1
            19   15  20 1
            20   15  21 2
            21   16  22 1 #Down
            22   17  23 1
            23   19  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 2
            28   27  29 1
            29   28  30 1
            30   28  31 1
            31   30  32 1
            32    9  14 2
            33   12  16 1
            34   20  24 2
            35   29  30 2
            36    8  33 1


entry: C10188
name: --- - Tamarixetin - Quercetin 4'-methyl ether
formula: C16H12O7
comment: Flavonol
kcf:
ATOM        23
            1   C8y C    -1.2724   -0.8690
            2   C8y C    -1.2724   -0.0552
            3   C8y C    -0.5690   -1.2862
            4   C8y C    -1.9897   -1.2862
            5   O2x O    -0.5690    0.3655
            6   C8x C    -1.9897    0.3655
            7   C8y C     0.1483   -0.8690
            8   O5x O    -0.5690   -2.1207
            9   C8x C    -2.7103   -0.8690
            10  O1a O    -1.9897   -2.1207
            11  C8y C     0.1483   -0.0552
            12  C8y C    -2.7103   -0.0552
            13  O1a O     0.8966   -1.2621
            14  C8y C     0.8793    0.3655
            15  O1a O    -3.4448    0.3414
            16  C8x C     0.8793    1.1793
            17  C8x C     1.5897   -0.0552
            18  C8y C     1.5897    1.5966
            19  C8x C     2.3034    0.3655
            20  C8y C     2.3034    1.1793
            21  O1a O     1.5897    2.4241
            22  O2a O     3.0345    1.5759
            23  C1a C     3.7379    1.1414
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     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   18  21 1
            21   20  22 1
            22   22  23 1
            23    7  11 2
            24    9  12 1
            25   19  20 1


entry: C10189
name: --- - Tambulin - Herbacetin 7,8,4'-trimethyl ether
formula: C18H16O7
comment: Flavonol
kcf:
ATOM        25
            1   C8y C    -0.8586   -0.0621
            2   C8y C    -0.8621   -0.8897
            3   C8y C    -1.5759    0.3552
            4   O2x O    -0.1379    0.3517
            5   C8y C    -0.1483   -1.3069
            6   C8y C    -1.5759   -1.3035
            7   C8y C    -2.2966   -0.0621
            8   O2a O    -1.5759    1.1862
            9   C8y C     0.5724   -0.0690
            10  C8y C     0.5690   -0.8966
            11  O5x O    -0.1517   -2.1345
            12  C8x C    -2.2966   -0.8897
            13  O1a O    -1.5759   -2.1310
            14  O2a O    -3.0138    0.3552
            15  C1a C    -2.2897    1.6000
            16  C8y C     1.2931    0.3448
            17  O1a O     1.2862   -1.3103
            18  C1a C    -3.7345   -0.0621
            19  C8x C     2.0069   -0.0759
            20  C8x C     1.2966    1.1724
            21  C8x C     2.7276    0.3379
            22  C8x C     2.0138    1.5828
            23  C8y C     2.7310    1.1690
            24  O2a O     3.4517    1.5759
            25  C1a C     4.1690    1.1621
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   14  18 1
            18   16  19 2
            19   16  20 1
            20   19  21 1
            21   20  22 2
            22   21  23 2
            23   23  24 1
            24   24  25 1
            25    7  12 1
            26    9  10 2
            27   22  23 1


entry: C10190
name: --- - Tangeretin - 5,6,7,8,4'-Pentamethoxyflavone
formula: C20H20O7
comment: Flavone
kcf:
ATOM        27
            1   C8y C    -0.4793    0.0690
            2   C8y C    -0.4828   -0.7621
            3   C8y C    -1.1966    0.4828
            4   O2x O     0.2414    0.4793
            5   C8y C    -1.1966   -1.1759
            6   C8y C     0.2345   -1.1793
            7   C8y C    -1.9138    0.0690
            8   O2a O    -1.1931    1.3103
            9   C8y C     0.9586    0.0621
            10  C8y C    -1.9138   -0.7621
            11  O2a O    -1.1931   -2.0069
            12  C8x C     0.9552   -0.7655
            13  O5x O     0.2310   -2.0103
            14  O2a O    -2.6310    0.4828
            15  C1a C    -1.9138    1.7276
            16  C8y C     1.6793    0.4724
            17  O2a O    -2.6310   -1.1759
            18  C1a C    -1.9103   -2.4207
            19  C1a C    -3.3448    0.0690
            20  C8x C     1.6793    1.3000
            21  C8x C     2.3931    0.0552
            22  C1a C    -3.3483   -0.7621
            23  C8x C     2.4000    1.7138
            24  C8x C     3.1103    0.4655
            25  C8y C     3.1138    1.2931
            26  O2a O     3.8345    1.7069
            27  C1a C     4.5483    1.2931
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     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   11  18 1
            18   14  19 1
            19   16  20 1
            20   16  21 2
            21   17  22 1
            22   20  23 2
            23   21  24 1
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27    7  10 1
            28    9  12 2
            29   24  25 2


entry: C10191
name: --- - Thymonin
formula: C18H16O8
comment: Flavone
kcf:
ATOM        26
            1   C8y C    -0.7172   -0.2172
            2   C8y C    -0.7207   -1.0448
            3   C8y C    -1.4345    0.1966
            4   O2x O     0.0034    0.1931
            5   C8y C    -1.4345   -1.4621
            6   C8y C    -0.0034   -1.4655
            7   C8y C    -2.1552   -0.2172
            8   O2a O    -1.4345    1.0276
            9   C8y C     0.7138   -0.2207
            10  C8y C    -2.1552   -1.0448
            11  O1a O    -1.4310   -2.2897
            12  C8x C     0.7103   -1.0517
            13  O5x O    -0.0069   -2.2931
            14  O2a O    -2.8724    0.1966
            15  C1a C    -2.1483    1.4414
            16  C8y C     1.4345    0.1862
            17  O1a O    -2.8724   -1.4621
            18  C1a C    -3.5862   -0.2172
            19  C8x C     1.4379    1.0138
            20  C8x C     2.1483   -0.2310
            21  C8y C     2.1552    1.4276
            22  C8x C     2.8690    0.1793
            23  C8y C     2.8724    1.0103
            24  O2a O     2.1621    2.2586
            25  O1a O     3.5931    1.4241
            26  C1a C     2.8793    2.6655
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    8  15 1
            15    9  16 1
            16   10  17 1
            17   14  18 1
            18   16  19 1
            19   16  20 2
            20   19  21 2
            21   20  22 1
            22   21  23 1
            23   21  24 1
            24   23  25 1
            25   24  26 1
            26    7  10 1
            27    9  12 2
            28   22  23 2


entry: C10192
name: --- - Tricetin - 5,7,3',4',5'-Pentahydroxyflavone
formula: C15H10O7
comment: Flavone
kcf:
ATOM        22
            1   C8y C    -1.2103   -0.8759
            2   C8y C    -1.2069   -0.0483
            3   C8y C    -0.4931   -1.2966
            4   C8y C    -1.9241   -1.2931
            5   O2x O    -0.4862    0.3621
            6   C8x C    -1.9241    0.3655
            7   C8x C     0.2241   -0.8828
            8   O5x O    -0.4966   -2.1276
            9   C8x C    -2.6448   -0.8759
            10  O1a O    -1.9207   -2.1241
            11  C8y C     0.2276   -0.0552
            12  C8y C    -2.6448   -0.0483
            13  C8y C     0.9448    0.3552
            14  O1a O    -3.3621    0.3655
            15  C8x C     1.6621   -0.0621
            16  C8x C     0.9483    1.1828
            17  C8y C     2.3828    0.3483
            18  C8y C     1.6690    1.5966
            19  C8y C     2.3862    1.1759
            20  O1a O     3.0931   -0.0690
            21  O1a O     1.6724    2.4241
            22  O1a O     3.1069    1.5897
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   15  17 1
            17   16  18 2
            18   17  19 2
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22    7  11 2
            23    9  12 1
            24   18  19 1


entry: C10193
name: --- - Tricin - Tricetin 3',5'-di-methyl ether
formula: C17H14O7
comment: Flavone
kcf:
ATOM        24
            1   C8y C    -1.4724   -1.0103
            2   C8y C    -1.4690   -0.1793
            3   C8y C    -0.7552   -1.4310
            4   C8y C    -2.1828   -1.4276
            5   O2x O    -0.7483    0.2276
            6   C8x C    -2.1828    0.2310
            7   C8x C    -0.0345   -1.0172
            8   O5x O    -0.7586   -2.2586
            9   C8x C    -2.9000   -1.0103
            10  O1a O    -2.1828   -2.2552
            11  C8y C    -0.0310   -0.1862
            12  C8y C    -2.9000   -0.1793
            13  C8y C     0.6897    0.2241
            14  O1a O    -3.6207    0.2310
            15  C8x C     1.4034   -0.1931
            16  C8x C     0.6897    1.0483
            17  C8y C     2.1241    0.2138
            18  C8y C     1.4103    1.4621
            19  C8y C     2.1276    1.0448
            20  O2a O     2.8379   -0.2000
            21  O2a O     1.4138    2.2931
            22  O1a O     2.8448    1.4586
            23  C1a C     3.5586    0.2103
            24  C1a C     2.1345    2.7034
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 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   17  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24    7  11 2
            25    9  12 1
            26   18  19 1


entry: C10194
name: --- - Velloquercetin
formula: C20H16O7
comment: Flavonol
kcf:
ATOM        27
            1   C8y C    -0.2966    0.1138
            2   C8y C    -0.3000   -0.7172
            3   O2x O     0.4241    0.5207
            4   C8x C    -1.0138    0.5241
            5   C8y C    -1.0138   -1.1345
            6   C8y C     0.4172   -1.1379
            7   C8y C     1.1414    0.1069
            8   C8y C    -1.7276    0.1138
            9   C8y C    -1.7310   -0.7172
            10  O1a O    -1.0103   -1.9621
            11  C8y C     1.1379   -0.7241
            12  O5x O     0.4138   -1.9655
            13  C8y C     1.8621    0.5172
            14  O2x O    -2.5172    0.3724
            15  C1x C    -2.5207   -0.9724
            16  O1a O     1.8483   -1.1379
            17  C8x C     1.8621    1.3414
            18  C8x C     2.5759    0.0966
            19  C1y C    -3.0069   -0.2966
            20  C8y C     2.5828    1.7552
            21  C8x C     3.2966    0.5069
            22  C2c C    -3.8310   -0.2966
            23  C8y C     3.3000    1.3379
            24  O1a O     2.5862    2.5862
            25  C1a C    -4.2448   -1.0069
            26  C2a C    -4.2414    0.4207
            27  O1a O     4.0138    1.7517
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 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   11  16 1
            16   13  17 1
            17   13  18 2
            18   14  19 1
            19   17  20 2
            20   18  21 1
            21   19  22 1 #Either
            22   20  23 1
            23   20  24 1
            24   22  25 1
            25   22  26 2
            26   23  27 1
            27    7  11 2
            28    8   9 1
            29   15  19 1
            30   21  23 2


entry: C10195
name: --- - Vicenin-2 - Apigenin-6,8-di-C-glycoside - 5,7,4'-Trihydroxyflavone-6,8-di-C-glucoside
formula: C27H30O15
comment: Flavone C-glycoside
kcf:
ATOM        42
            1   C1y C     3.3458   -9.8417
            2   C1y C     3.3458  -10.6708
            3   C1y C     4.0662  -11.0875
            4   O2x O     4.7824  -10.6708
            5   C1y C     4.7824   -9.8417
            6   C1y C     4.0662   -9.4292
            7   C8y C     4.0672  -11.9167
            8   O1a O     2.6274  -11.0879
            9   O1a O     2.6274   -9.4288
            10  O1a O     4.0672   -8.6000
            11  C1b C     5.5013   -9.4297
            12  O1a O     5.5019   -8.6005
            13  C8y C     4.7835  -12.3299
            14  C8y C     4.7801  -13.1582
            15  O2x O     5.5050  -11.9195
            16  C8y C     3.3476  -12.3299
            17  C8y C     4.0690  -13.5726
            18  C8y C     5.4981  -13.5761
            19  C8y C     6.2153  -12.3367
            20  C8y C     3.3442  -13.1582
            21  O1a O     2.6262  -11.9161
            22  O1a O     4.0690  -14.4044
            23  C8x C     6.2119  -13.1651
            24  O5x O     5.4946  -14.4044
            25  C8y C     6.9366  -11.9264
            26  C1y C     2.6227  -13.5726
            27  C8x C     7.6512  -12.3436
            28  C8x C     6.9366  -11.0981
            29  O2x O     1.9082  -13.1582
            30  C1y C     2.6227  -14.4044
            31  C8x C     8.3726  -11.9333
            32  C8x C     7.6581  -10.6836
            33  C1y C     1.1903  -13.5726
            34  C1y C     1.9082  -14.8148
            35  O1a O     3.3442  -14.8148
            36  C8y C     8.3761  -11.1050
            37  C1y C     1.1903  -14.4044
            38  C1b C     0.4689  -13.1582
            39  O1a O     1.9082  -15.6466
            40  O1a O     9.0974  -10.6905
            41  O1a O     0.4689  -14.8148
            42  O1a O    -0.2449  -13.5726
BOND        46
            1     2   8 1 #Down
            2     2   3 1
            3     1   9 1 #Up
            4     3   4 1
            5     6  10 1 #Down
            6     4   5 1
            7     5  11 1 #Up
            8     5   6 1
            9    11  12 1
            10    6   1 1
            11    3   7 1 #Up
            12    1   2 1
            13    7  16 2
            14   14  17 1
            15   14  18 1
            16   15  19 1
            17   16  20 1
            18   16  21 1
            19   17  22 1
            20   18  23 1
            21   18  24 2
            22   19  25 1
            23   26  20 1 #Up
            24   25  27 2
            25   25  28 1
            26   26  29 1
            27   26  30 1
            28   27  31 1
            29   28  32 2
            30   29  33 1
            31   30  34 1
            32   30  35 1 #Down
            33   31  36 2
            34   33  37 1
            35   33  38 1 #Up
            36   34  39 1 #Up
            37   36  40 1
            38   37  41 1 #Down
            39   38  42 1
            40   17  20 2
            41   19  23 2
            42   32  36 1
            43   34  37 1
            44   13   7 1
            45   13  14 2
            46   13  15 1


entry: C10196
name: --- - Violanthin
formula: C27H30O14
comment: Flavone C-glycoside
kcf:
ATOM        41
            1   C1y C     3.3549   -9.8533
            2   C1y C     3.3549  -10.6783
            3   C1y C     4.0711  -11.0908
            4   O2x O     4.7831  -10.6783
            5   C1y C     4.7831   -9.8533
            6   C1y C     4.0711   -9.4408
            7   C8y C     4.0721  -11.9158
            8   O1a O     2.6406  -11.0911
            9   O1a O     2.6406   -9.4404
            10  O1a O     4.0721   -8.6158
            11  C1a C     5.4979   -9.4413
            12  C8y C     4.7866  -12.3296
            13  C8y C     4.7832  -13.1579
            14  O2x O     5.5046  -11.9193
            15  C8y C     3.3508  -12.3296
            16  C8y C     4.0721  -13.5759
            17  C8y C     5.4977  -13.5793
            18  C8y C     6.2184  -12.3365
            19  C8y C     3.3473  -13.1579
            20  O1a O     2.6293  -11.9158
            21  O1a O     4.0721  -14.4042
            22  C8x C     6.2150  -13.1648
            23  O5x O     5.4943  -14.4042
            24  C8y C     6.9398  -11.9262
            25  C1y C     2.6259  -13.5759
            26  C8x C     7.6543  -12.3434
            27  C8x C     6.9398  -11.0978
            28  O2x O     1.9113  -13.1579
            29  C1y C     2.6259  -14.4042
            30  C8x C     8.3758  -11.9331
            31  C8x C     7.6612  -10.6833
            32  C1y C     1.1900  -13.5759
            33  C1y C     1.9113  -14.8145
            34  O1a O     3.3473  -14.8145
            35  C8y C     8.3792  -11.1047
            36  C1y C     1.1900  -14.4042
            37  C1b C     0.4720  -13.1579
            38  O1a O     1.9113  -15.6462
            39  O1a O     9.0971  -10.6902
            40  O1a O     0.4720  -14.8145
            41  O1a O    -0.2418  -13.5759
BOND        45
            1     2   3 1
            2     1   9 1 #Down
            3     3   4 1
            4     6  10 1 #Up
            5     4   5 1
            6     5  11 1 #Down
            7     5   6 1
            8     6   1 1
            9     3   7 1 #Up
            10    1   2 1
            11    2   8 1 #Down
            12   12   7 1
            13   12  13 2
            14   12  14 1
            15    7  15 2
            16   13  16 1
            17   13  17 1
            18   14  18 1
            19   15  19 1
            20   15  20 1
            21   16  21 1
            22   17  22 1
            23   17  23 2
            24   18  24 1
            25   25  19 1 #Up
            26   24  26 2
            27   24  27 1
            28   25  28 1
            29   25  29 1
            30   26  30 1
            31   27  31 2
            32   28  32 1
            33   29  33 1
            34   29  34 1 #Down
            35   30  35 2
            36   32  36 1
            37   32  37 1 #Up
            38   33  38 1 #Up
            39   35  39 1
            40   36  40 1 #Down
            41   37  41 1
            42   16  19 2
            43   18  22 2
            44   31  35 1
            45   33  36 1


entry: C10197
name: --- - Wogonin - Norwogonin 8-methyl ether
formula: C16H12O5
comment: Flavone
kcf:
ATOM        21
            1   C8y C    -0.6207   -0.8276
            2   C8y C    -0.6172    0.0034
            3   C8y C     0.0966   -1.2414
            4   C8y C    -1.3345   -1.2379
            5   C8y C    -1.3345    0.4207
            6   O2x O     0.1034    0.4172
            7   C8x C     0.8172   -0.8310
            8   O5x O     0.0931   -2.0655
            9   C8x C    -2.0483   -0.8276
            10  O1a O    -1.3310   -2.0621
            11  C8y C    -2.0483    0.0034
            12  O2a O    -1.3345    1.2448
            13  C8y C     0.8207   -0.0034
            14  O1a O    -2.7655    0.4138
            15  C1a C    -2.0483    1.6586
            16  C8y C     1.5414    0.4103
            17  C8x C     2.2552   -0.0069
            18  C8x C     1.5414    1.2379
            19  C8x C     2.9759    0.4069
            20  C8x C     2.2621    1.6517
            21  C8x C     2.9793    1.2345
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 2
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   12  15 1
            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  13 2
            22    9  11 1
            23   20  21 1


entry: C10198
name: --- - (-)-Acanthocarpan
formula: C17H12O7
kcf:
ATOM        24
            1   C1z C     0.3655    0.1724
            2   C1y C    -0.3483   -0.2345
            3   C8y C     0.9690   -0.3862
            4   C1x C     0.3690    0.9931
            5   O1a O     1.0138    0.6655
            6   C8y C    -1.0586    0.1793
            7   O2x O    -0.1862   -1.0414
            8   C8y C     0.6310   -1.1310
            9   C8x C     1.7862   -0.3069
            10  O2x O    -0.3448    1.4034
            11  C8y C    -1.0552    1.0000
            12  C8x C    -1.7621   -0.2345
            13  C8x C     1.1069   -1.7966
            14  C8y C     2.2586   -0.9724
            15  C8y C    -1.7621    1.4034
            16  C8x C    -2.4759    0.1793
            17  C8y C     1.9172   -1.7172
            18  O2x O     3.0724   -1.0690
            19  C8y C    -2.4759    1.0000
            20  O2x O    -1.9310    2.2034
            21  O2x O     2.5207   -2.2724
            22  C1x C     3.2345   -1.8724
            23  O2x O    -3.0793    1.5483
            24  C1x C    -2.7448    2.2966
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    6  11 2
            11    6  12 1
            12    8  13 1
            13    9  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   17  21 1
            21   18  22 1
            22   19  23 1
            23   20  24 1
            24    7   8 1
            25   10  11 1
            26   14  17 1
            27   16  19 1
            28   21  22 1
            29   23  24 1


entry: C10199
name: --- - Afrormosin
formula: C17H14O5
kcf:
ATOM        22
            1   C8y C    -0.9103    0.1931
            2   C8y C    -0.9069    1.0207
            3   C8y C    -0.1931   -0.2241
            4   C8x C    -1.6241   -0.2207
            5   O2x O    -0.1862    1.4345
            6   C8x C    -1.6241    1.4379
            7   C8y C     0.5207    0.1862
            8   O5x O    -0.2000   -1.0517
            9   C8y C    -2.3448    0.1931
            10  C8x C     0.5241    1.0172
            11  C8y C    -2.3448    1.0207
            12  C8y C     1.2379   -0.2276
            13  O2a O    -3.0621   -0.2207
            14  O1a O    -3.0621    1.4379
            15  C8x C     1.2310   -1.0552
            16  C8x C     1.9552    0.1828
            17  C1a C    -3.7828    0.1931
            18  C8x C     1.9483   -1.4759
            19  C8x C     2.6724   -0.2345
            20  C8y C     2.6690   -1.0621
            21  O2a O     3.3862   -1.4828
            22  C1a C     4.1034   -1.0690
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    7  12 1
            12    9  13 1
            13   11  14 1
            14   12  15 2
            15   12  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 2
            19   18  20 2
            20   20  21 1
            21   21  22 1
            22    7  10 2
            23    9  11 1
            24   19  20 1


entry: C10200
name: --- - Anhydroglycinol
formula: C15H10O4
kcf:
ATOM        19
            1   C8y C    -0.2069   -0.1034
            2   C8y C     0.5138    0.3069
            3   C8y C    -0.9138    0.3103
            4   O2x O    -0.0379   -0.9172
            5   C8y C     1.1276   -0.2517
            6   C1x C     0.5172    1.1310
            7   C8y C    -0.9103    1.1379
            8   C8x C    -1.6241   -0.1000
            9   C8y C     0.7828   -1.0069
            10  C8x C     1.9552   -0.1759
            11  O2x O    -0.1931    1.5448
            12  C8x C    -1.6241    1.5483
            13  C8x C    -2.3379    0.3103
            14  C8x C     1.2621   -1.6828
            15  C8x C     2.4345   -0.8517
            16  C8y C    -2.3379    1.1379
            17  C8y C     2.0862   -1.6069
            18  O1a O    -3.0517    1.5483
            19  O1a O     2.5655   -2.2793
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   12  16 2
            16   14  17 2
            17   16  18 1
            18   17  19 1
            19    5   9 2
            20    7  11 1
            21   13  16 1
            22   15  17 1


entry: C10201
name: --- - Betavulgarin
formula: C17H12O6
kcf:
ATOM        23
            1   C8y C    -0.5034    0.1276
            2   C8y C    -1.2103   -0.2828
            3   C8y C    -0.5000    0.9586
            4   C8y C     0.2138   -0.2862
            5   C8y C    -1.9310    0.1276
            6   O2a O    -1.2103   -1.1138
            7   C8x C    -1.2103    1.3759
            8   O2x O     0.2207    1.3724
            9   C8y C     0.9345    0.1241
            10  O5x O     0.2103   -1.1172
            11  C8y C    -1.9276    0.9586
            12  O2x O    -2.7241   -0.1241
            13  C1a C    -1.9276   -1.5310
            14  C8x C     0.9379    0.9517
            15  C8y C     1.6517   -0.2931
            16  O2x O    -2.7172    1.2207
            17  C1x C    -3.2103    0.5517
            18  C8y C     2.3690    0.1172
            19  C8x C     1.6448   -1.1207
            20  C8x C     3.0828   -0.2966
            21  O1a O     2.3690    0.9483
            22  C8x C     2.3621   -1.5414
            23  C8x C     3.0793   -1.1276
BOND        26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   15  18 1
            18   15  19 2
            19   18  20 2
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23    7  11 2
            24    9  14 2
            25   16  17 1
            26   22  23 2


entry: C10202
name: --- - Bowdichione
formula: C16H10O6
kcf:
ATOM        22
            1   C8y C     0.0345    0.2483
            2   C2y C     0.7517   -0.1724
            3   C8y C    -0.6862   -0.1655
            4   C8x C     0.0379    1.0759
            5   C5x C     1.4690    0.2414
            6   C2x C     0.7448   -1.0000
            7   C8y C    -1.4034    0.2517
            8   O5x O    -0.6897   -0.9966
            9   O2x O    -0.6793    1.4931
            10  C2x C     2.1862   -0.1793
            11  O5x O     1.4690    1.0724
            12  C5x C     1.4621   -1.4172
            13  C8y C    -1.4000    1.0828
            14  C8x C    -2.1138   -0.1655
            15  C2y C     2.1828   -1.0069
            16  O5x O     1.4586   -2.2448
            17  C8x C    -2.1138    1.4931
            18  C8x C    -2.8310    0.2517
            19  O2a O     2.8931   -1.4241
            20  C8y C    -2.8310    1.0828
            21  C1a C     3.6138   -1.0138
            22  O1a O    -3.5483    1.4966
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 2
            13    7  14 1
            14   10  15 2
            15   12  16 2
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 2
            20   19  21 1
            21   20  22 1
            22    9  13 1
            23   12  15 1
            24   18  20 1


entry: C10203
name: --- - Cajanin
formula: C16H12O6
kcf:
ATOM        22
            1   C8y C    -0.8172    0.2138
            2   C8y C    -0.8138    1.0414
            3   C8y C    -0.1000   -0.2069
            4   C8y C    -1.5276   -0.2034
            5   C8x C    -1.5276    1.4552
            6   O2x O    -0.0931    1.4517
            7   C8y C     0.6207    0.2069
            8   O5x O    -0.1034   -1.0345
            9   C8x C    -2.2448    0.2138
            10  O1a O    -1.5276   -1.0276
            11  C8y C    -2.2448    1.0414
            12  C8x C     0.6241    1.0379
            13  C8y C     1.3379   -0.2138
            14  O2a O    -2.9655    1.4552
            15  C8y C     1.3310   -1.0414
            16  C8x C     2.0552    0.2034
            17  C1a C    -3.6759    1.0414
            18  C8x C     2.0483   -1.4552
            19  O1a O     0.6138   -1.4483
            20  C8x C     2.7690   -0.2172
            21  C8y C     2.7655   -1.0483
            22  O1a O     3.4793   -1.4621
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   15  18 2
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   21  22 1
            22    7  12 2
            23    9  11 1
            24   20  21 2


entry: C10204
name: --- - Cajanol
formula: C17H16O6
kcf:
ATOM        23
            1   C8y C    -0.8414    0.3138
            2   C8y C    -0.8379    1.1414
            3   C5x C    -0.1276   -0.1069
            4   C8y C    -1.5552   -0.1034
            5   C8x C    -1.5552    1.5552
            6   O2x O    -0.1207    1.5517
            7   C1y C     0.5931    0.3069
            8   O5x O    -0.1310   -0.9379
            9   C8x C    -2.2724    0.3138
            10  O1a O    -1.5552   -0.9310
            11  C8y C    -2.2724    1.1414
            12  C1x C     0.5966    1.1345
            13  C8y C     1.3103   -0.1138
            14  O2a O    -2.9897    1.5552
            15  C8y C     1.3035   -0.9414
            16  C8x C     2.0276    0.3000
            17  C1a C    -3.7034    1.1414
            18  C8x C     2.0207   -1.3586
            19  O2a O     0.5862   -1.3517
            20  C8x C     2.7448   -0.1172
            21  C8y C     2.7414   -0.9483
            22  C1a C     0.5828   -2.1759
            23  O1a O     3.4517   -1.3621
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     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   15  18 2
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   19  22 1
            22   21  23 1
            23    7  12 1
            24    9  11 1
            25   20  21 2


entry: C10205
name: --- - Coumestrol
formula: C15H8O5
kcf:
ATOM        20
            1   C8y C     0.4517    0.2276
            2   C8y C    -0.2690   -0.1828
            3   C8y C     1.0655   -0.3310
            4   C8y C     0.4552    1.0552
            5   C8y C    -0.9759    0.2345
            6   O2x O    -0.1000   -0.9931
            7   C8y C     0.7207   -1.0828
            8   C8x C     1.8931   -0.2517
            9   O7x O    -0.2552    1.4690
            10  O7x O     1.1724    1.4621
            11  C8y C    -0.9724    1.0586
            12  C8x C    -1.6862   -0.1759
            13  C8x C     1.2000   -1.7621
            14  C8x C     2.3724   -0.9310
            15  C8x C    -1.6862    1.4724
            16  C8x C    -2.4000    0.2345
            17  C8y C     2.0276   -1.6828
            18  C8y C    -2.4000    1.0586
            19  O1a O     2.5035   -2.3552
            20  O1a O    -3.1138    1.4724
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     4  10 2
            10    5  11 2
            11    5  12 1
            12    7  13 1
            13    8  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20    6   7 1
            21    9  11 1
            22   14  17 1
            23   16  18 1


entry: C10206
name: --- - Cristacarpin
formula: C21H22O5
kcf:
ATOM        26
            1   C1y C    -0.3759    0.5241
            2   C1z C     0.3448    0.9345
            3   C8y C    -1.0828    0.9414
            4   O2x O    -0.2069   -0.2862
            5   C8y C     0.9586    0.3759
            6   C1x C     0.3483    1.7621
            7   O1a O     1.0517    1.5000
            8   C8y C    -1.0793    1.7655
            9   C8x C    -1.7897    0.5310
            10  C8y C     0.6138   -0.3759
            11  C8x C     1.7862    0.4552
            12  O2x O    -0.3621    2.1759
            13  C8x C    -1.7897    2.1793
            14  C8x C    -2.5069    0.9414
            15  C8y C     1.0931   -1.0552
            16  C8x C     2.2655   -0.2241
            17  C8y C    -2.5069    1.7655
            18  C8y C     1.9207   -0.9759
            19  C1b C     0.7483   -1.8035
            20  O1a O    -3.2207    2.1793
            21  O2a O     2.3966   -1.6483
            22  C2b C    -0.0379   -1.7966
            23  C1a C     3.2172   -1.6310
            24  C2c C    -0.4552   -2.5069
            25  C1a C    -1.2828   -2.5000
            26  C1a C    -0.0517   -3.2276
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 2
            18   15  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   21  23 1
            23   22  24 2
            24   24  25 1
            25   24  26 1
            26    5  10 2
            27    8  12 1
            28   14  17 1
            29   16  18 1


entry: C10207
name: --- - Cyclokievitone
formula: C20H18O6
kcf:
ATOM        26
            1   C8y C    -0.4034    0.6138
            2   C8y C    -1.1035    1.0138
            3   C8y C    -0.4069   -0.2103
            4   O2x O     0.3138    1.0172
            5   C8y C    -1.8172    0.6138
            6   C2x C    -1.0966    1.8310
            7   C5x C     0.3069   -0.6241
            8   C8y C    -1.1069   -0.6172
            9   C1x C     1.0207    0.6069
            10  C8x C    -1.8172   -0.2103
            11  O2x O    -2.5207    1.0241
            12  C2x C    -1.8035    2.2483
            13  C1y C     1.0172   -0.2138
            14  O5x O     0.3034   -1.4379
            15  O1a O    -1.1035   -1.4310
            16  C1z C    -2.5138    1.8414
            17  C8y C     1.7207   -0.6276
            18  C1a C    -3.3759    1.3862
            19  C1a C    -3.2483    2.4517
            20  C8y C     1.7172   -1.4379
            21  C8x C     2.4241   -0.2207
            22  C8x C     2.4172   -1.8483
            23  O1a O     1.0069   -1.8414
            24  C8x C     3.1276   -0.6310
            25  C8y C     3.1241   -1.4448
            26  O1a O     3.8241   -1.8517
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 2
            12    7  13 1
            13    7  14 2
            14    8  15 1
            15   11  16 1
            16   13  17 1
            17   16  18 1
            18   16  19 1
            19   17  20 2
            20   17  21 1
            21   20  22 1
            22   20  23 1
            23   21  24 2
            24   22  25 2
            25   25  26 1
            26    8  10 2
            27    9  13 1
            28   12  16 1
            29   24  25 1


entry: C10208
name: --- - Daidzein
formula: C15H10O4
kcf:
ATOM        19
            1   C8y C    -1.0552    0.1345
            2   C8y C    -1.0517    0.9655
            3   C8y C    -0.3379   -0.2793
            4   C8x C    -1.7690   -0.2759
            5   O2x O    -0.3310    1.3793
            6   C8x C    -1.7690    1.3828
            7   C8y C     0.3759    0.1310
            8   O5x O    -0.3414   -1.1103
            9   C8x C    -2.4897    0.1345
            10  C8x C     0.3793    0.9586
            11  C8y C    -2.4897    0.9655
            12  C8y C     1.0931   -0.2862
            13  O1a O    -3.2069    1.3828
            14  C8x C     1.0862   -1.1138
            15  C8x C     1.8103    0.1241
            16  C8x C     1.8035   -1.5345
            17  C8x C     2.5276   -0.2897
            18  C8y C     2.5241   -1.1207
            19  O1a O     3.2414   -1.5414
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     5  10 1
            10    6  11 2
            11    7  12 1
            12   11  13 1
            13   12  14 2
            14   12  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   18  19 1
            19    7  10 2
            20    9  11 1
            21   17  18 1


entry: C10209
name: --- - Afzelechin-(4alpha->8)-afzelechin
formula: C30H26O10
kcf:
ATOM        40
            1   C1y C     8.4537   -6.8136
            2   C8y C     7.7399   -6.3998
            3   C1y C     9.1778   -6.4067
            4   C8y C     7.7433   -5.5687
            5   C8y C     7.0261   -6.8136
            6   C1y C     9.1813   -5.5756
            7   O1a O     9.8882   -6.8274
            8   O2x O     8.4640   -5.1619
            9   C8x C     7.0295   -5.1584
            10  C8x C     6.3088   -6.3998
            11  O1a O     6.3095   -7.2168
            12  C8y C     9.8985   -5.1653
            13  C8y C     6.3088   -5.5687
            14  C8x C    10.6123   -5.5825
            15  C8x C     9.8985   -4.3377
            16  O1a O     5.5882   -5.1584
            17  C8x C    11.3330   -5.1756
            18  C8x C    10.6192   -3.9274
            19  C8y C    11.3364   -4.3446
            20  O1a O    12.0571   -3.9308
            21  C8y C     8.4537   -7.6377
            22  C8y C     9.1640   -8.0481
            23  C8y C     7.7399   -8.0446
            24  C8y C     9.1571   -8.8687
            25  O2x O     9.8744   -7.6481
            26  C8x C     7.7364   -8.8653
            27  C1x C     9.8606   -9.2894
            28  C8y C     8.4468   -9.2825
            29  C1y C    10.5813   -8.0618
            30  C1y C    10.5744   -8.8825
            31  O1a O     8.4468  -10.1101
            32  C8y C    11.3054   -7.6550
            33  O1a O    11.2916   -9.3032
            34  C8x C    12.0192   -8.0722
            35  C8x C    11.3088   -6.8239
            36  C8x C    12.7399   -7.6653
            37  C8x C    12.0330   -6.4136
            38  C8y C    12.7468   -6.8377
            39  O1a O    13.4675   -6.4239
            40  O1a O     7.0275   -7.6286
BOND        45
            1     6   8 1
            2    10  13 1
            3    18  19 1
            4     1  21 1 #Down
            5     1   2 1
            6     1   3 1
            7     2   4 2
            8     2   5 1
            9     3   6 1
            10    3   7 1 #Up
            11    4   8 1
            12    4   9 1
            13    5  10 2
            14    5  11 1
            15    6  12 1 #Down
            16    9  13 2
            17   12  14 2
            18   12  15 1
            19   13  16 1
            20   14  17 1
            21   15  18 2
            22   17  19 2
            23   19  20 1
            24   21  22 1
            25   21  23 2
            26   22  24 2
            27   22  25 1
            28   23  26 1
            29   24  27 1
            30   24  28 1
            31   25  29 1
            32   27  30 1
            33   28  31 1
            34   29  32 1 #Down
            35   30  33 1 #Up
            36   32  34 2
            37   32  35 1
            38   34  36 1
            39   35  37 2
            40   36  38 2
            41   38  39 1
            42   26  28 2
            43   29  30 1
            44   37  38 1
            45   23  40 1


entry: C10210
name: --- - Agrimoniin
formula: C82H54O52
kcf:
ATOM        134
            1   C8y C    20.7497  -10.5610
            2   C8y C    20.0727  -10.9508
            3   C8x C    20.0738  -11.7341
            4   C8y C    20.7554  -12.1291
            5   C8y C    21.4319  -11.7322
            6   C8y C    21.4309  -10.9490
            7   O1a O    22.1104  -10.5545
            8   O1a O    22.1135  -12.1272
            9   O1a O    20.7565  -12.9124
            10  C7x C    19.3912  -10.5597
            11  C8y C    20.7332   -8.8943
            12  C8y C    14.3000   -9.2500
            13  C7x C    15.0020   -8.8500
            14  O7x O    15.8540   -9.3042
            15  O7x O    15.0020   -8.0458
            16  C8x C    13.6022   -8.8500
            17  C8y C    12.9086   -9.2500
            18  C8y C    12.9086  -10.0541
            19  C8y C    13.6022  -10.4583
            20  C8y C    14.3000  -10.0541
            21  O1a O    12.2108   -8.8500
            22  O1a O    12.2108  -10.4583
            23  O1a O    13.6022  -11.2625
            24  C7x C    16.4667  -10.5083
            25  O7x O    17.2478  -10.1041
            26  O7x O    15.7730  -10.1041
            27  C8y C    16.4667  -11.3125
            28  C1y C    16.5496   -8.0917
            29  C1y C    16.5500   -8.8958
            30  C1y C    17.2481   -9.2996
            31  C1y C    17.9414   -8.8992
            32  C1y C    17.9410   -8.0909
            33  O2x O    17.2472   -7.6913
            34  C8y C    15.7770  -11.7102
            35  C8y C    16.4707  -12.9185
            36  C8y C    17.1685  -12.5143
            37  C8x C    17.1685  -11.7102
            38  C8y C    15.7770  -12.5143
            39  O1a O    17.8663  -12.9185
            40  O1a O    16.4707  -13.7227
            41  O1a O    15.0792  -12.9185
            42  C1x C    18.6386   -7.6905
            43  O7x O    19.3366   -8.0902
            44  C7x C    20.0300   -7.6898
            45  C8y C    20.7322   -8.0894
            46  O7x O    20.0296   -6.8814
            47  C8y C    21.4232   -9.2953
            48  C8y C    22.1208   -8.8949
            49  C8y C    22.1203   -8.0907
            50  C8x C    21.4223   -7.6869
            51  O1a O    22.8179   -7.6862
            52  O1a O    22.8188   -9.2945
            53  O1a O    21.4236  -10.0994
            54  O7x O    18.6992  -10.9667
            55  O7x O    19.3853   -9.5239
            56  O7a O    16.5394   -7.0831
            57  C1y C    10.4195   -4.1198
            58  C1y C    11.0830   -3.7322
            59  C1y C     9.7671   -3.7322
            60  O7x O    10.4161   -4.8299
            61  C1y C    11.0830   -2.9755
            62  O7x O    11.7390   -4.1456
            63  C1y C     9.7671   -2.9755
            64  O7x O     8.5498   -4.3539
            65  C7x C     9.8644   -5.2383
            66  O2x O    10.4195   -2.5989
            67  C7x C    11.7390   -4.9098
            68  C1x C     9.1173   -2.5989
            69  C7x C     8.5498   -5.1960
            70  C8y C     9.8471   -5.9603
            71  O7x O     9.2369   -4.8742
            72  C8y C    12.3914   -5.2857
            73  O7x O    11.0864   -5.2857
            74  O7x O     8.5380   -3.0859
            75  C8y C     7.8932   -5.5760
            76  O7x O     9.1816   -5.5899
            77  C8x C     9.1946   -6.3541
            78  C8y C    10.5099   -6.3265
            79  C8y C    12.3914   -6.0526
            80  C8x C    13.0480   -4.9098
            81  C7x C     7.8815   -2.7059
            82  C8x C     7.8932   -6.3429
            83  C8y C     7.2373   -5.1960
            84  C8y C     9.2015   -7.1136
            85  C8y C    10.5272   -7.0894
            86  C8y C    13.0480   -6.4394
            87  C8y C    13.7150   -5.2857
            88  C8y C     7.2248   -3.0859
            89  O7x O     7.8815   -1.9458
            90  C8y C     7.2373   -6.7258
            91  C8y C     6.5704   -5.5760
            92  C8y C     9.8713   -7.4873
            93  O1a O     8.5484   -7.5038
            94  O1a O    11.1865   -7.4556
            95  C8y C    13.7150   -6.0526
            96  O1a O    13.0480   -7.1962
            97  O1a O    14.3716   -4.9064
            98  C8y C     7.2248   -3.8494
            99  C8x C     6.5724   -2.7059
            100 C8y C     6.5704   -6.3429
            101 O1a O     7.2407   -7.4899
            102 O1a O     5.9180   -5.1960
            103 O1a O     9.8574   -8.3598
            104 O1a O    14.3750   -6.4291
            105 C8y C     6.5724   -4.2399
            106 C8y C     5.9097   -3.0859
            107 O1a O     5.9180   -6.7154
            108 C8y C     5.9097   -3.8494
            109 O1a O     6.5724   -4.9963
            110 O1a O     5.2530   -2.7025
            111 O1a O     5.2496   -4.2295
            112 O7a O    11.7627   -2.5770
            113 C7a C    12.4495   -2.9703
            114 C8y C    13.1292   -2.5718
            115 O7a O    12.4526   -3.7619
            116 C8y C    13.8086   -2.9684
            117 C8y C    14.4924   -2.5700
            118 C8y C    14.4893   -1.7825
            119 C8y C    13.8025   -1.3892
            120 C8x C    13.1271   -1.7877
            121 O1a O    13.7995   -0.6018
            122 O1a O    15.1731   -1.3840
            123 O1a O    15.1792   -2.9632
            124 O2a O    14.5093   -4.3101
            125 C7a C    15.8632   -6.6821
            126 O7a O    15.1796   -7.0737
            127 C8y C    15.8680   -5.8946
            128 C8x C    16.5495   -5.5059
            129 C8y C    16.5544   -4.7184
            130 C8y C    15.8715   -4.3184
            131 C8y C    15.1922   -4.7100
            132 C8x C    15.1873   -5.4975
            133 O1a O    17.2421   -4.3268
            134 O1a O    15.8764   -3.5309
BOND        149
            1    24  26 2
            2     6   7 1
            3    24  27 1
            4    13  14 1
            5     5   8 1
            6    13  15 2
            7    29  14 1 #Up
            8     4   9 1
            9     2  10 1
            10    1   2 2
            11    2   3 1
            12   29  30 1
            13   30  31 1
            14   31  32 1
            15   32  42 1 #Down
            16   32  33 1
            17   42  43 1
            18   33  28 1
            19   43  44 1
            20   28  29 1
            21   44  45 1
            22   30  25 1 #Down
            23   44  46 2
            24    3   4 2
            25   12  16 1
            26   16  17 2
            27   17  18 1
            28   45  11 1
            29   11  47 2
            30   47  48 1
            31   48  49 2
            32   49  50 1
            33   50  45 2
            34   27  34 1
            35   49  51 1
            36   34  38 2
            37   48  52 1
            38   35  36 2
            39   47  53 1
            40   36  37 1
            41   10  54 2
            42   10  55 1
            43   37  27 2
            44   31  55 1 #Up
            45   28  56 1 #Up
            46   18  19 2
            47   35  38 1
            48   19  20 1
            49   36  39 1
            50   20  12 2
            51   35  40 1
            52    4   5 1
            53   38  41 1
            54   17  21 1
            55   18  22 1
            56    1  11 1
            57   19  23 1
            58    5   6 2
            59    6   1 1
            60   24  25 1
            61   12  13 1
            62   85  94 1
            63   86  95 1
            64   86  96 1
            65   87  97 1
            66   88  98 1
            67   88  99 2
            68   90 100 1
            69   90 101 1
            70   91 102 1
            71   92 103 1
            72   95 104 1
            73   98 105 2
            74   99 106 1
            75  100 107 1
            76  105 108 1
            77  105 109 1
            78  106 110 1
            79  108 111 1
            80   63  66 1
            81   85  92 2
            82   87  95 2
            83   91 100 2
            84  106 108 2
            85   98  83 1
            86   78  79 1
            87   61 112 1 #Down
            88  112 113 1
            89  113 114 1
            90  113 115 2
            91  114 116 2
            92  116 117 1
            93  117 118 2
            94  118 119 1
            95  119 120 2
            96  120 114 1
            97  119 121 1
            98  118 122 1
            99  117 123 1
            100 116 124 1
            101  57  58 1
            102  57  59 1
            103  57  60 1 #Up
            104  58  61 1
            105  58  62 1 #Down
            106  59  63 1
            107  59  64 1 #Down
            108  60  65 1
            109  61  66 1
            110  62  67 1
            111  63  68 1 #Up
            112  64  69 1
            113  65  70 1
            114  65  71 2
            115  67  72 1
            116  67  73 2
            117  68  74 1
            118  69  75 1
            119  69  76 2
            120  70  77 1
            121  70  78 2
            122  72  79 1
            123  72  80 2
            124  56 125 1
            125  74  81 1
            126 125 126 2
            127  75  82 1
            128 125 127 1
            129  75  83 2
            130  77  84 2
            131  78  85 1
            132  79  86 2
            133  80  87 1
            134 127 128 1
            135 128 129 2
            136 129 130 1
            137 130 131 2
            138 131 132 1
            139 132 127 2
            140  81  88 1
            141 129 133 1
            142  81  89 2
            143 130 134 1
            144 131 124 1
            145  82  90 2
            146  83  91 1
            147  84  92 1
            148  84  93 1
            149  20  34 1


entry: C10211
name: --- - Alnusiin
formula: C41H26O26
kcf:
ATOM        67
            1   C8y C     0.1958  -12.7958
            2   C7x C     1.0311  -12.8000
            3   O7x O     1.6123  -12.2250
            4   O7x O     1.4853  -13.5042
            5   C1y C     3.6320  -12.6406
            6   C1y C     4.3164  -12.2405
            7   C1y C     2.9588  -12.2405
            8   O7x O     3.6286  -13.3799
            9   C1y C     4.3164  -11.4588
            10  O7x O     5.0014  -12.6705
            11  C7x C     3.0560  -13.8007
            12  O2x O     3.6320  -11.0698
            13  C7x C     5.0014  -13.4598
            14  C8y C     3.0346  -14.5478
            15  O7x O     2.4036  -13.4242
            16  C8y C     5.6747  -13.8523
            17  O7x O     4.3198  -13.8523
            18  C8x C     2.3613  -14.9541
            19  C8y C     3.7265  -14.9265
            20  C8y C     5.6747  -14.6443
            21  C8x C     6.3522  -13.4598
            22  C8y C     2.3682  -15.7427
            23  C8y C     3.7438  -15.7185
            24  C8y C     6.3522  -15.0436
            25  C8y C     7.0441  -13.8523
            26  C8y C     3.0629  -16.1248
            27  O1a O     1.6943  -16.1455
            28  O1a O     4.4281  -16.0931
            29  C8y C     7.0441  -14.6443
            30  O1a O     6.3522  -15.8253
            31  O1a O     7.7216  -13.4564
            32  O1a O     3.0449  -17.0348
            33  O1a O     7.7250  -15.0333
            34  O1a O     5.0252  -11.0479
            35  C8y C    -1.2164  -13.6125
            36  C8y C    -0.5103  -14.0208
            37  C8x C     0.1958  -13.6125
            38  O1a O    -0.5103  -14.8417
            39  O1a O    -1.9267  -14.0208
            40  C8y C    -1.2164  -12.7958
            41  C8y C    -0.5131  -12.3919
            42  C8y C    -1.9192  -11.5756
            43  O7x O    -1.9216  -12.3877
            44  O7x O    -2.6241  -11.1652
            45  C8y C    -1.2117  -11.1716
            46  C8y C    -0.5122  -11.5812
            47  C8y C     0.1916  -11.1792
            48  C8y C     0.1960  -10.3678
            49  C8y C    -0.5035   -9.9582
            50  C8x C    -1.2073  -10.3602
            51  O2x O     0.8668   -9.8758
            52  O1a O    -0.4991   -9.1416
            53  O1a O     0.8997  -11.5914
            54  C8y C     2.3061   -9.6833
            55  C8x C     3.0136   -9.2792
            56  C8y C     3.0136   -8.4625
            57  C8y C     2.3033   -8.0542
            58  C8y C     1.5971   -8.4625
            59  C8y C     1.5971   -9.2792
            60  O1a O     3.7197   -8.0542
            61  O1a O     2.3033   -7.2375
            62  O1a O     0.8910   -8.0542
            63  C7x C     2.3076  -10.5000
            64  O7x O     3.0186  -10.9071
            65  C1y C     2.9718  -11.4823
            66  C1x C     2.2256  -11.4796
            67  O7x O     1.6000  -10.9083
BOND        75
            1    25  29 2
            2    19  20 1
            3     2   3 1
            4     9  34 1 #Either
            5     1   2 1
            6     2   4 2
            7     1  41 2
            8    40  35 2
            9    35  36 1
            10   36  37 2
            11   37   1 1
            12    5   6 1
            13   36  38 1
            14    5   7 1
            15   35  39 1
            16    5   8 1 #Up
            17    6   9 1
            18    6  10 1 #Down
            19    7   3 1 #Down
            20   40  41 1
            21   41  46 1
            22   45  42 1
            23   42  43 1
            24   43  40 1
            25    8  11 1
            26   42  44 2
            27    9  12 1
            28   10  13 1
            29   11  14 1
            30   11  15 2
            31   13  16 1
            32   13  17 2
            33   45  46 2
            34   46  47 1
            35   47  48 2
            36   48  49 1
            37   49  50 2
            38   50  45 1
            39   14  18 1
            40   48  51 1
            41   14  19 2
            42   49  52 1
            43   16  20 1
            44   47  53 1
            45   16  21 2
            46   18  22 2
            47   19  23 1
            48   20  24 2
            49   21  25 1
            50   22  26 1
            51   54  55 1
            52   55  56 2
            53   56  57 1
            54   57  58 2
            55   58  59 1
            56   59  54 2
            57   22  27 1
            58   56  60 1
            59   23  28 1
            60   57  61 1
            61   24  29 1
            62   58  62 1
            63   59  51 1
            64   24  30 1
            65   54  63 1
            66   25  31 1
            67   63  64 2
            68   63  67 1
            69    7  65 1
            70   26  32 1
            71   12  65 1
            72   29  33 1
            73   65  66 1 #Up
            74   23  26 2
            75   66  67 1


entry: C10212
name: --- - Casuarictin
formula: C41H28O26
kcf:
ATOM        67
            1   C1y C     5.7612   -4.9823
            2   C1y C     6.4539   -4.5780
            3   C1y C     5.0796   -4.5780
            4   O7x O     5.7578   -5.7299
            5   C1y C     6.4539   -3.7880
            6   O7x O     7.1431   -5.0122
            7   C1y C     5.0796   -3.7880
            8   O7x O     3.8040   -5.2289
            9   C7x C     5.1810   -6.1549
            10  O2x O     5.7612   -3.3948
            11  O7a O     7.1466   -3.3948
            12  C7x C     7.1431   -5.8098
            13  C1x C     4.4007   -3.3948
            14  C7x C     3.8040   -6.1085
            15  C8y C     5.1596   -6.9103
            16  O7x O     4.5203   -5.7742
            17  C7a C     7.8323   -2.9982
            18  C8y C     7.8247   -6.2065
            19  O7x O     6.4573   -6.2065
            20  O7x O     3.7922   -3.9026
            21  C8y C     3.1182   -6.5052
            22  O7x O     4.4650   -6.5232
            23  C8x C     4.4780   -7.3208
            24  C8y C     5.8557   -7.2932
            25  C8y C     8.5139   -3.3983
            26  O7a O     7.8358   -2.2082
            27  C8y C     7.8247   -7.0068
            28  C8x C     8.5105   -5.8098
            29  C7x C     3.1065   -3.5059
            30  C8x C     3.1182   -7.3096
            31  C8y C     2.4332   -6.1085
            32  C8y C     4.4849   -8.1177
            33  C8y C     5.8730   -8.0935
            34  C8x C     8.5139   -4.1986
            35  C8x C     9.2100   -3.0016
            36  C8y C     8.5105   -7.4103
            37  C8y C     9.2066   -6.2065
            38  C8y C     2.4207   -3.9026
            39  O7x O     3.1065   -2.7125
            40  C8y C     2.4332   -7.7133
            41  C8y C     1.7371   -6.5052
            42  C8y C     5.1879   -8.5040
            43  O1a O     3.8026   -8.5247
            44  O1a O     6.5656   -8.4723
            45  C8y C     9.2100   -4.6022
            46  C8y C     9.8958   -3.3983
            47  C8y C     9.2066   -7.0068
            48  O1a O     8.5105   -8.2003
            49  O1a O     9.8924   -5.8064
            50  C8y C     2.4207   -4.7036
            51  C8x C     1.7391   -3.5059
            52  C8y C     1.7371   -7.3096
            53  O1a O     2.4366   -8.5066
            54  O1a O     1.0513   -6.1085
            55  O1a O     5.1699   -9.4223
            56  C8y C     9.8820   -4.1703
            57  O1a O     9.2100   -5.3962
            58  O1a O    10.5816   -3.0016
            59  O1a O     9.8958   -7.4000
            60  C8y C     1.7391   -5.1107
            61  C8y C     1.0430   -3.9026
            62  O1a O     1.0513   -7.7029
            63  O1a O    10.5850   -4.5884
            64  C8y C     1.0430   -4.7036
            65  O1a O     1.7391   -5.9005
            66  O1a O     0.3572   -3.5025
            67  O1a O     0.3538   -5.1003
BOND        74
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1 #Up
            13    8  14 1
            14    9  15 1
            15    9  16 2
            16   11  17 1
            17   12  18 1
            18   12  19 2
            19   13  20 1
            20   14  21 1
            21   14  22 2
            22   15  23 1
            23   15  24 2
            24   17  25 1
            25   17  26 2
            26   18  27 1
            27   18  28 2
            28   20  29 1
            29   21  30 1
            30   21  31 2
            31   23  32 2
            32   24  33 1
            33   25  34 2
            34   25  35 1
            35   27  36 2
            36   28  37 1
            37   29  38 1
            38   29  39 2
            39   30  40 2
            40   31  41 1
            41   32  42 1
            42   32  43 1
            43   33  44 1
            44   34  45 1
            45   35  46 2
            46   36  47 1
            47   36  48 1
            48   37  49 1
            49   38  50 1
            50   38  51 2
            51   40  52 1
            52   40  53 1
            53   41  54 1
            54   42  55 1
            55   45  56 2
            56   45  57 1
            57   46  58 1
            58   47  59 1
            59   50  60 2
            60   51  61 1
            61   52  62 1
            62   56  63 1
            63   60  64 1
            64   60  65 1
            65   61  66 1
            66   64  67 1
            67    7  10 1
            68   33  42 2
            69   37  47 2
            70   41  52 2
            71   46  56 1
            72   61  64 2
            73   50  31 1
            74   24  27 1


entry: C10213
name: --- - Casuarinin
formula: C41H28O26
kcf:
ATOM        67
            1   C1y C     9.8750   -4.5875
            2   O1a O    10.3812   -4.0792
            3   C1y C     8.8112   -5.6114
            4   C1y C     9.5373   -5.2655
            5   C1y C     8.1463   -5.2155
            6   O7x O     8.8078   -6.3341
            7   O7x O    10.1181   -5.7455
            8   C1y C     8.1463   -4.4463
            9   O7x O     6.9123   -5.8455
            10  C7x C     8.2476   -6.7507
            11  C7x C    10.1556   -6.4139
            12  C1x C     7.4882   -4.0656
            13  C7x C     6.9123   -6.7043
            14  C8y C     8.2262   -7.4811
            15  O7x O     7.6036   -6.3784
            16  C8y C    10.8163   -6.7982
            17  O7x O     9.4865   -6.7982
            18  O7x O     6.9005   -4.5610
            19  C8y C     6.2432   -7.0886
            20  O7x O     7.5525   -7.1066
            21  C8x C     7.5655   -7.8833
            22  C8y C     8.9016   -7.8557
            23  C8y C    10.8163   -7.5776
            24  C8y C    11.4772   -6.4139
            25  C7x C     6.2315   -4.1725
            26  C8x C     6.2432   -7.8721
            27  C8y C     5.5791   -6.7043
            28  C8y C     7.5682   -8.6552
            29  C8y C     8.9189   -8.6310
            30  C8y C    11.4772   -7.9687
            31  C8y C    12.1566   -6.7982
            32  C8y C     5.5666   -4.5610
            33  O7x O     6.2315   -3.4083
            34  C8y C     5.5791   -8.2591
            35  C8y C     4.8996   -7.0886
            36  C8y C     8.2545   -9.0290
            37  O1a O     6.9109   -9.0497
            38  O1a O     9.5948   -8.9973
            39  C8y C    12.1566   -7.5776
            40  O1a O    11.4772   -8.7337
            41  O1a O    12.8216   -6.4105
            42  C8y C     5.5666   -5.3411
            43  C8x C     4.9016   -4.1725
            44  C8y C     4.8996   -7.8721
            45  O1a O     5.5825   -9.0316
            46  O1a O     4.2346   -6.7043
            47  O1a O     8.2365   -9.9223
            48  O1a O    12.8250   -7.9584
            49  C8y C     4.9016   -5.7357
            50  C8y C     4.2263   -4.5610
            51  O1a O     4.2346   -8.2529
            52  C8y C     4.2263   -5.3411
            53  O1a O     4.9016   -6.5005
            54  O1a O     3.5655   -4.1691
            55  O1a O     3.5621   -5.7253
            56  O7a O     8.8481   -3.9815
            57  C7a C     8.8528   -3.2153
            58  C8y C     9.5143   -2.8403
            59  O7a O     8.1853   -2.8324
            60  C8x C    10.1905   -3.2289
            61  C8x C     9.5234   -2.0623
            62  C8y C    10.8679   -2.8416
            63  C8y C    10.1903   -1.6742
            64  C8y C    10.8309   -2.0647
            65  O1a O    11.5387   -3.2271
            66  O1a O    10.1942   -0.9092
            67  O1a O    11.5285   -1.6746
BOND        74
            1    10  14 1
            2    10  15 2
            3    11  16 1
            4    11  17 2
            5    12  18 1
            6    13  19 1
            7    13  20 2
            8    14  21 1
            9    14  22 2
            10   16  23 1
            11   16  24 2
            12   18  25 1
            13   19  26 1
            14   19  27 2
            15   21  28 2
            16   22  29 1
            17   23  30 2
            18   24  31 1
            19   25  32 1
            20   25  33 2
            21   26  34 2
            22   27  35 1
            23   28  36 1
            24   28  37 1
            25   29  38 1
            26   30  39 1
            27   30  40 1
            28   31  41 1
            29   32  42 1
            30   32  43 2
            31   34  44 1
            32   34  45 1
            33   35  46 1
            34   36  47 1
            35   39  48 1
            36   42  49 2
            37   43  50 1
            38   44  51 1
            39   49  52 1
            40   49  53 1
            41   50  54 1
            42   52  55 1
            43   29  36 2
            44   31  39 2
            45   35  44 2
            46   50  52 2
            47   42  27 1
            48   22  23 1
            49   24   1 1
            50    4   1 1
            51    1   2 1 #Up
            52    8  56 1
            53    3   4 1
            54    3   5 1
            55    3   6 1 #Up
            56    4   7 1 #Down
            57    5   8 1
            58    5   9 1 #Down
            59    6  10 1
            60    7  11 1
            61    8  12 1 #Up
            62    9  13 1
            63   56  57 1
            64   57  58 1
            65   57  59 2
            66   58  60 2
            67   58  61 1
            68   60  62 1
            69   61  63 2
            70   62  64 2
            71   62  65 1
            72   63  66 1
            73   64  67 1
            74   63  64 1


entry: C10214
name: --- - Chebulagic acid
formula: C41H30O27
kcf:
ATOM        68
            1   O7x O    16.2363  -15.6780
            2   C7x C    15.4174  -15.6780
            3   C1y C    15.9654  -14.1490
            4   C1y C    16.6415  -13.7531
            5   C1y C    15.2963  -13.7531
            6   C1y C    16.6415  -12.9797
            7   O7x O    17.3181  -14.1789
            8   C1y C    15.2963  -12.9797
            9   O7x O    15.9624  -14.9581
            10  O2x O    15.9654  -12.5948
            11  O7a O    17.3216  -12.5948
            12  C7x C    17.3181  -14.9598
            13  C1x C    14.6299  -12.5948
            14  C7x C    14.1873  -15.6336
            15  C7a C    17.9948  -12.2066
            16  C8y C    17.9872  -15.3482
            17  O7x O    16.6449  -15.3482
            18  O7x O    14.0339  -13.0943
            19  C8y C    13.3724  -15.6428
            20  O7x O    14.3983  -16.2607
            21  C8y C    18.6640  -12.5983
            22  O7a O    17.9983  -11.4332
            23  C8x C    18.6606  -14.9598
            24  C7x C    13.3607  -12.7018
            25  C8x C    13.3724  -16.4346
            26  C8y C    12.7041  -15.2544
            27  C8x C    18.6640  -13.3820
            28  C8x C    19.3475  -12.2100
            29  C8y C    19.3441  -15.3482
            30  C8y C    12.6916  -13.0943
            31  O7x O    13.3607  -11.9250
            32  C8y C    12.7041  -16.8258
            33  C8y C    12.0204  -15.6428
            34  C8y C    19.3475  -13.7773
            35  C8y C    20.0166  -12.5983
            36  C8y C    19.3441  -16.1319
            37  O1a O    20.0132  -14.9564
            38  C8y C    12.6916  -13.8786
            39  C8x C    12.0224  -12.7018
            40  C8y C    12.0204  -16.4346
            41  O1a O    12.7075  -17.6025
            42  O1a O    11.3472  -15.2544
            43  C8y C    20.0028  -13.3537
            44  O1a O    19.3475  -14.5545
            45  O1a O    20.6900  -12.2100
            46  O1a O    20.0166  -16.5208
            47  C8y C    12.0224  -14.2774
            48  C8y C    11.3389  -13.0943
            49  O1a O    11.3472  -16.8154
            50  O1a O    20.6934  -13.7635
            51  C8y C    11.3389  -13.8786
            52  O1a O    12.0224  -15.0505
            53  O1a O    10.6656  -12.6984
            54  O1a O    10.6622  -14.2670
            55  C8y C    18.6606  -16.5311
            56  C8y C    17.9917  -16.1298
            57  C1y C    17.3123  -16.5128
            58  C1y C    17.3017  -17.2890
            59  C7x C    17.9705  -17.6862
            60  O7x O    18.6500  -17.3073
            61  O7x O    17.9595  -18.4945
            62  O7x O    14.5919  -14.1530
            63  O1a O    16.5943  -17.6836
            64  C1y C    15.4203  -16.4969
            65  C1b C    14.7625  -16.9654
            66  C6a C    14.7649  -17.7239
            67  O6a O    14.1109  -18.1032
            68  O6a O    15.4212  -18.0991
BOND        75
            1    12  17 2
            2    13  18 1
            3    14  19 1
            4    14  20 2
            5    15  21 1
            6    15  22 2
            7    16  56 1
            8    16  23 2
            9    18  24 1
            10   19  25 1
            11   19  26 2
            12   21  27 2
            13   21  28 1
            14   23  29 1
            15   24  30 1
            16   24  31 2
            17   25  32 2
            18   26  33 1
            19   27  34 1
            20   28  35 2
            21   55  36 1
            22   29  37 1
            23   30  38 1
            24   30  39 2
            25   32  40 1
            26   32  41 1
            27   33  42 1
            28   34  43 2
            29   34  44 1
            30   35  45 1
            31   36  46 1
            32   38  47 2
            33   39  48 1
            34   40  49 1
            35   43  50 1
            36   47  51 1
            37   47  52 1
            38   48  53 1
            39   51  54 1
            40    8  10 1
            41   29  36 2
            42   33  40 2
            43   35  43 1
            44   48  51 2
            45   38  26 1
            46    1   2 2
            47    3   4 1
            48    3   5 1
            49    4   6 1
            50    4   7 1 #Down
            51   55  56 2
            52   56  57 1
            53   57  58 1
            54   58  59 1
            55   59  60 1
            56   60  55 1
            57    5   8 1
            58   59  61 2
            59    6  10 1
            60    5  62 1 #Down
            61   62   2 1
            62    3   9 1 #Up
            63    6  11 1 #Up
            64   58  63 1 #Up
            65   57  64 1
            66    7  12 1
            67    2  64 1
            68    8  13 1 #Up
            69   64  65 1 #Down
            70    9  14 1
            71   65  66 1
            72   11  15 1
            73   66  67 1
            74   12  16 1
            75   66  68 2


entry: C10215
name: --- - Chebulinic acid
formula: C41H32O27
kcf:
ATOM        68
            1   O7x O    13.9779  -10.5738
            2   C7x C    13.1549  -10.5738
            3   C1y C    13.7070   -9.0365
            4   C1y C    14.3831   -8.6364
            5   C1y C    13.0338   -8.6364
            6   C1y C    14.3831   -7.8630
            7   O7x O    15.0640   -9.0664
            8   C1y C    13.0338   -7.8630
            9   O7a O    13.7040   -9.8498
            10  O2x O    13.7070   -7.4740
            11  O7a O    15.0675   -7.4740
            12  C7x C    15.0640   -9.8515
            13  C1b C    12.3633   -7.4740
            14  C7a C    11.9164  -10.5294
            15  C7a C    15.7448   -7.0858
            16  C8y C    15.7372  -10.2399
            17  O7x O    14.3865  -10.2399
            18  O7a O    11.7630   -7.9776
            19  C8y C    11.0974  -10.5386
            20  O7a O    12.1317  -11.1607
            21  C8y C    16.4181   -7.4775
            22  O7a O    15.7483   -6.3082
            23  C8x C    16.4147   -9.8515
            24  C7a C    11.0857   -7.5810
            25  C8x C    11.0974  -11.3346
            26  C8x C    10.4291  -10.1461
            27  C8x C    16.4181   -8.2653
            28  C8x C    17.1059   -7.0892
            29  C8y C    17.1025  -10.2399
            30  C8y C    10.4166   -7.9776
            31  O7a O    11.0857   -6.8000
            32  C8y C    10.4291  -11.7258
            33  C8y C     9.7413  -10.5386
            34  C8y C    17.1059   -8.6606
            35  C8y C    17.7750   -7.4775
            36  C8y C    17.1025  -11.0277
            37  O1a O    17.7716   -9.8481
            38  C8x C    10.4166   -8.7661
            39  C8x C     9.7433   -7.5810
            40  C8y C     9.7413  -11.3346
            41  O1a O    10.4325  -12.5067
            42  O1a O     9.0638  -10.1461
            43  C8y C    17.7612   -8.2370
            44  O1a O    17.1059   -9.4420
            45  O1a O    18.4525   -7.0892
            46  O1a O    17.7750  -11.4208
            47  C8y C     9.7433   -9.1649
            48  C8y C     9.0555   -7.9776
            49  O1a O     9.0638  -11.7154
            50  O1a O    18.4559   -8.6468
            51  C8y C     9.0555   -8.7661
            52  O1a O     9.7433   -9.9422
            53  O1a O     8.3781   -7.5776
            54  O1a O     8.3747   -9.1545
            55  C8y C    16.4147  -11.4311
            56  C8y C    15.7417  -11.0256
            57  C1y C    15.0582  -11.4128
            58  C1y C    15.0476  -12.1932
            59  C7x C    15.7205  -12.5904
            60  O7x O    16.4041  -12.2115
            61  O7x O    15.7095  -13.4028
            62  O7x O    12.3253   -9.0405
            63  O1a O    14.3359  -12.5878
            64  C1y C    13.1578  -11.3969
            65  C1b C    12.4959  -11.8654
            66  C6a C    12.4983  -12.6281
            67  O6a O    11.8400  -13.0115
            68  O6a O    13.1587  -13.0074
BOND        74
            1    12  17 2
            2    13  18 1
            3    14  19 1
            4    14  20 2
            5    15  21 1
            6    15  22 2
            7    16  56 1
            8    16  23 2
            9    18  24 1
            10   19  25 1
            11   19  26 2
            12   21  27 2
            13   21  28 1
            14   23  29 1
            15   24  30 1
            16   24  31 2
            17   25  32 2
            18   26  33 1
            19   27  34 1
            20   28  35 2
            21   55  36 1
            22   29  37 1
            23   30  38 1
            24   30  39 2
            25   32  40 1
            26   32  41 1
            27   33  42 1
            28   34  43 2
            29   34  44 1
            30   35  45 1
            31   36  46 1
            32   38  47 2
            33   39  48 1
            34   40  49 1
            35   43  50 1
            36   47  51 1
            37   47  52 1
            38   48  53 1
            39   51  54 1
            40    8  10 1
            41   29  36 2
            42   33  40 2
            43   35  43 1
            44   48  51 2
            45    1   2 2
            46    3   4 1
            47    3   5 1
            48    4   6 1
            49    4   7 1 #Down
            50   55  56 2
            51   56  57 1
            52   57  58 1
            53   58  59 1
            54   59  60 1
            55   60  55 1
            56    5   8 1
            57   59  61 2
            58    6  10 1
            59    5  62 1 #Down
            60   62   2 1
            61    3   9 1 #Up
            62    6  11 1 #Up
            63   58  63 1 #Up
            64   57  64 1
            65    7  12 1
            66    2  64 1
            67    8  13 1 #Up
            68   64  65 1 #Down
            69    9  14 1
            70   65  66 1
            71   11  15 1
            72   66  67 1
            73   12  16 1
            74   66  68 2


entry: C10216
name: --- - Daidzin
formula: C21H20O9
kcf:
ATOM        30
            1   C8y C     0.8172    0.8276
            2   C8y C     0.8138    0.0069
            3   C8x C     0.1103    1.2345
            4   O2x O     1.5276    1.2310
            5   C8y C     1.5207   -0.4103
            6   C8x C     0.1103   -0.4069
            7   C8y C    -0.6034    0.8276
            8   C8x C     2.2379    0.8207
            9   C8y C     2.2345    0.0000
            10  O5x O     1.5172   -1.2310
            11  C8x C    -0.6034    0.0069
            12  O2a O    -1.3517    1.3207
            13  C8y C     2.9414   -0.4138
            14  C1y C    -2.1759    0.8138
            15  C8x C     2.9345   -1.2345
            16  C8x C     3.6552   -0.0034
            17  O2x O    -2.8828    1.2241
            18  C1y C    -2.1759   -0.0069
            19  C8x C     3.6483   -1.6448
            20  C8x C     4.3621   -0.4207
            21  C1y C    -3.6000    0.8138
            22  C1y C    -2.8828   -0.4172
            23  O1a O    -1.4655   -0.4172
            24  C8y C     4.3586   -1.2414
            25  C1y C    -3.6000   -0.0069
            26  C1b C    -4.3103    1.2241
            27  O1a O    -2.8828   -1.2379
            28  O1a O     5.0690   -1.6517
            29  O1a O    -4.3103   -0.4172
            30  O1a O    -5.0207    0.8138
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     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    9  13 1
            13   14  12 1 #Up
            14   13  15 2
            15   13  16 1
            16   14  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   18  23 1 #Down
            23   19  24 2
            24   21  25 1
            25   21  26 1 #Up
            26   22  27 1 #Up
            27   24  28 1
            28   25  29 1 #Down
            29   26  30 1
            30    7  11 1
            31    8   9 2
            32   20  24 1
            33   22  25 1


entry: C10217
name: --- - Cinchonain 1a
formula: C24H20O9
kcf:
ATOM        33
            1   C8y C     5.5616   -4.6630
            2   C8y C     6.2789   -5.0837
            3   C1y C     5.5616   -3.8355
            4   C8y C     4.8444   -5.0768
            5   C8y C     6.2720   -5.9044
            6   O2x O     6.9961   -4.6734
            7   C8y C     6.2789   -3.4251
            8   C1x C     4.8478   -3.4217
            9   C8x C     4.8409   -5.9044
            10  O7x O     4.1272   -4.6630
            11  C8y C     5.5582   -6.3182
            12  C1x C     6.9823   -6.3217
            13  C1y C     7.7065   -5.0941
            14  C8x C     6.2823   -2.5941
            15  C8x C     6.9996   -3.8355
            16  C7x C     4.1272   -3.8355
            17  O1a O     5.5582   -7.1458
            18  C1y C     7.6996   -5.9148
            19  C8y C     8.4237   -4.6837
            20  C8y C     6.9996   -2.1768
            21  C8x C     7.7168   -3.4251
            22  O7x O     3.4065   -3.4217
            23  O1a O     8.4134   -6.3355
            24  C8x C     9.1375   -5.1044
            25  C8x C     8.4306   -3.8527
            26  C8y C     7.7168   -2.5941
            27  O1a O     6.9996   -1.3492
            28  C8y C     9.8582   -4.6941
            29  C8x C     9.1478   -3.4458
            30  O1a O     8.4375   -2.1803
            31  C8y C     9.8651   -3.8630
            32  O1a O    10.5754   -5.1148
            33  O1a O    10.5858   -3.4561
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15    8  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 1 #Down
            19   14  20 1
            20   15  21 2
            21   16  22 2
            22   18  23 1 #Down
            23   19  24 1
            24   19  25 2
            25   20  26 2
            26   20  27 1
            27   24  28 2
            28   25  29 1
            29   26  30 1
            30   28  31 1
            31   28  32 1
            32   31  33 1
            33    9  11 2
            34   10  16 1
            35   13  18 1
            36   21  26 1
            37   29  31 2


entry: C10218
name: --- - Coriariin A
formula: C82H58O52
kcf:
ATOM        134
            1   C8y C    11.6289   -9.0235
            2   C8y C    10.9394   -9.4216
            3   C8x C    10.9405  -10.2216
            4   C8y C    11.6346  -10.6249
            5   C8y C    12.3277  -10.2197
            6   C8y C    12.3267   -9.4198
            7   O1a O    13.0187   -9.0170
            8   O1a O    13.0218  -10.6230
            9   O1a O    11.6357  -11.4249
            10  C7x C    10.2454   -9.0222
            11  C8y C    11.6124   -7.3235
            12  C8y C     5.0500   -7.6875
            13  C7a C     5.7645   -7.2792
            14  O7a O     6.6373   -7.7417
            15  O7a O     5.7645   -6.4583
            16  C8x C     4.3397   -7.2792
            17  C8y C     3.6294   -7.6875
            18  C8y C     3.6294   -8.5083
            19  C8y C     4.3397   -8.9208
            20  C8x C     5.0500   -8.5083
            21  O1a O     2.9191   -7.2792
            22  O1a O     2.9191   -8.9208
            23  O1a O     4.3397   -9.7417
            24  C7a C     7.2625   -8.9708
            25  O7a O     8.0561   -8.5583
            26  O7a O     6.5522   -8.5583
            27  C8y C     7.2625   -9.7917
            28  C1y C     7.3454   -6.5042
            29  O7a O     7.3365   -4.9927
            30  C1y C     7.3458   -7.3250
            31  C1y C     8.0564   -7.7371
            32  C1y C     8.7664   -7.3284
            33  C1y C     8.7660   -6.5034
            34  O2x O     8.0555   -6.0955
            35  C8x C     6.5562  -10.1977
            36  C8y C     7.2665  -11.4310
            37  C8y C     7.9768  -11.0185
            38  C8x C     7.9768  -10.1977
            39  C8y C     6.5562  -11.0185
            40  O1a O     8.6871  -11.4310
            41  O1a O     7.2665  -12.2519
            42  O1a O     5.8459  -11.4310
            43  C8y C     8.0333   -2.6583
            44  C8y C     8.0333   -3.4792
            45  C8x C     8.7454   -3.8917
            46  C8y C     9.4532   -3.4792
            47  C8y C     9.4532   -2.6583
            48  C8y C     8.7454   -2.2500
            49  O2a O     7.2941   -2.2371
            50  O1a O     8.7464   -1.4292
            51  O1a O    10.1638   -2.2505
            52  O1a O    10.1638   -3.8911
            53  C1y C     2.4404   -3.3739
            54  C1y C     3.1122   -2.9822
            55  C1y C     1.7755   -2.9822
            56  O7a O     2.4370   -4.0966
            57  C1y C     3.1122   -2.2172
            58  O7a O     3.7806   -3.3997
            59  C1y C     1.7755   -2.2172
            60  O7x O     0.5415   -3.6122
            61  C7a C     1.8769   -4.5133
            62  O2x O     2.4404   -1.8323
            63  C7a C     3.7806   -4.1765
            64  C1x C     1.1173   -1.8323
            65  C7x C     0.5415   -4.4669
            66  C8y C     1.8555   -5.2436
            67  O7a O     1.2369   -4.1409
            68  C8y C     4.4414   -4.5607
            69  O7a O     3.1156   -4.5607
            70  O7x O     0.5297   -2.3276
            71  C8y C    -0.1234   -4.8510
            72  O7x O     1.1816   -4.8649
            73  C8x C     1.1946   -5.6458
            74  C8x C     2.5349   -5.6182
            75  C8x C     4.4414   -5.3401
            76  C8x C     5.1063   -4.1765
            77  C7x C    -0.1351   -1.9393
            78  C8x C    -0.1234   -5.6346
            79  C8y C    -0.7877   -4.4669
            80  C8y C     1.2015   -6.4177
            81  C8y C     2.5522   -6.3935
            82  C8y C     5.1063   -5.7269
            83  C8y C     5.7858   -4.5607
            84  C8y C    -0.8002   -2.3276
            85  O7x O    -0.1351   -1.1708
            86  C8y C    -0.7877   -6.0216
            87  C8y C    -1.4671   -4.8510
            88  C8y C     1.8838   -6.7915
            89  O1a O     0.5401   -6.8122
            90  O1a O     3.2198   -6.7598
            91  C8y C     5.7858   -5.3401
            92  O1a O     5.1063   -6.5003
            93  O1a O     6.4507   -4.1731
            94  C8y C    -0.8002   -3.1036
            95  C8x C    -1.4651   -1.9393
            96  C8y C    -1.4671   -5.6346
            97  O1a O    -0.7843   -6.7941
            98  O1a O    -2.1320   -4.4669
            99  O1a O     1.8658   -7.6806
            100 O1a O     6.4541   -5.7166
            101 C8y C    -1.4651   -3.4982
            102 C8y C    -2.1403   -2.3276
            103 O1a O    -2.1320   -6.0112
            104 C8y C    -2.1403   -3.1036
            105 O1a O    -1.4651   -4.2630
            106 O1a O    -2.8053   -1.9359
            107 O1a O    -2.8087   -3.4878
            108 O7a O     3.8085   -1.7770
            109 C7a C     4.4995   -2.2120
            110 C8y C     5.1875   -1.8052
            111 O7a O     4.5026   -3.0119
            112 C8x C     5.8794   -2.2101
            113 C8y C     6.5757   -1.8034
            114 C8y C     6.5726   -1.0033
            115 C8y C     5.8775   -0.6059
            116 C8x C     5.1854   -1.0085
            117 O1a O     5.8745    0.1940
            118 O1a O     7.2648   -0.6007
            119 C7a C     7.3232   -3.8920
            120 O7a O     6.6127   -3.4799
            121 C1x C     9.4761   -6.0947
            122 O7x O    10.1866   -6.5027
            123 C7x C    10.8967   -6.0940
            124 C8y C    11.6114   -6.5019
            125 O7x O    10.8963   -5.2731
            126 C8y C    12.3190   -7.7328
            127 C8y C    13.0291   -7.3241
            128 C8y C    13.0286   -6.5032
            129 C8x C    12.3181   -6.0911
            130 O1a O    13.7387   -6.0904
            131 O1a O    13.7396   -7.7320
            132 O1a O    12.3194   -8.5536
            133 O7x O     9.5367   -9.4375
            134 O7x O    10.2395   -7.9656
BOND        147
            1    18  19 2
            2    36  39 1
            3    19  20 1
            4    37  40 1
            5    20  12 2
            6    36  41 1
            7     4   5 1
            8    39  42 1
            9    17  21 1
            10   18  22 1
            11    1  11 1
            12   19  23 1
            13    5   6 2
            14   43  44 1
            15   44  45 2
            16   45  46 1
            17   46  47 2
            18   47  48 1
            19   48  43 2
            20    6   1 1
            21   43  49 1
            22   24  25 1
            23   48  50 1
            24   12  13 1
            25   47  51 1
            26   24  26 2
            27   46  52 1
            28   81  90 1
            29   82  91 1
            30   82  92 1
            31   83  93 1
            32   84  94 1
            33   84  95 2
            34   86  96 1
            35   86  97 1
            36   87  98 1
            37   88  99 1
            38   91 100 1
            39   94 101 2
            40   95 102 1
            41   96 103 1
            42  101 104 1
            43  101 105 1
            44  102 106 1
            45  104 107 1
            46   59  62 1
            47   81  88 2
            48   83  91 2
            49   87  96 2
            50  102 104 2
            51   94  79 1
            52   53  54 1
            53   53  55 1
            54   53  56 1 #Up
            55   54  57 1
            56   54  58 1 #Down
            57   55  59 1
            58   55  60 1 #Down
            59   56  61 1
            60   57  62 1
            61   58  63 1
            62   59  64 1 #Up
            63   60  65 1
            64   61  66 1
            65   61  67 2
            66   63  68 1
            67   63  69 2
            68   64  70 1
            69   65  71 1
            70   65  72 2
            71   66  73 1
            72   66  74 2
            73   68  75 1
            74   68  76 2
            75   70  77 1
            76   71  78 1
            77   71  79 2
            78   73  80 2
            79   74  81 1
            80   75  82 2
            81   76  83 1
            82   77  84 1
            83   77  85 2
            84   78  86 2
            85   79  87 1
            86   80  88 1
            87   80  89 1
            88    6   7 1
            89   57 108 1 #Up
            90   24  27 1
            91   13  14 1
            92    5   8 1
            93   28  29 1 #Down
            94   13  15 2
            95   30  14 1 #Up
            96    4   9 1
            97    2  10 1
            98    1   2 2
            99    2   3 1
            100 108 109 1
            101 109 110 1
            102 109 111 2
            103 110 112 2
            104 112 113 1
            105 113 114 2
            106 114 115 1
            107 115 116 2
            108 116 110 1
            109 115 117 1
            110 114 118 1
            111 113  49 1
            112  30  31 1
            113  44 119 1
            114 119  29 1
            115  31  32 1
            116 119 120 2
            117  32  33 1
            118  33 121 1 #Down
            119  33  34 1
            120 121 122 1
            121  34  28 1
            122 122 123 1
            123  28  30 1
            124 123 124 1
            125  31  25 1 #Down
            126 123 125 2
            127   3   4 2
            128  12  16 1
            129  16  17 2
            130  17  18 1
            131 124  11 1
            132  11 126 2
            133 126 127 1
            134 127 128 2
            135 128 129 1
            136 129 124 2
            137  27  35 1
            138 128 130 1
            139  35  39 2
            140 127 131 1
            141  36  37 2
            142 126 132 1
            143  37  38 1
            144  10 133 2
            145  10 134 1
            146  38  27 2
            147  32 134 1 #Up


entry: C10219
name: --- - Corilagin
formula: C27H22O18
kcf:
ATOM        45
            1   C7a C     6.4615  -12.1565
            2   C8y C     7.1347  -12.5525
            3   O7a O     6.4650  -11.3749
            4   C8x C     7.1347  -13.3444
            5   C8x C     7.8267  -12.1599
            6   C8y C     7.8267  -13.7439
            7   C8y C     8.5041  -12.5525
            8   C8y C     8.4903  -13.3161
            9   O1a O     7.8267  -14.5295
            10  O1a O     9.1816  -12.1599
            11  O1a O     9.1850  -13.7301
            12  O7a O     5.6488  -12.6690
            13  C8y C     2.9642  -16.4765
            14  C8y C     1.0018  -13.7848
            15  C8y C     3.6323  -16.0969
            16  C8y C     2.9644  -17.2407
            17  C8y C     1.0086  -13.0173
            18  C8y C     0.3378  -14.1576
            19  C7x C     3.6391  -15.3328
            20  C8x C     4.2965  -16.4814
            21  C8y C     3.6258  -17.6250
            22  O1a O     2.2969  -17.6202
            23  C8x C     0.3548  -12.6330
            24  C7x C     1.6801  -12.6405
            25  C8y C    -0.3236  -13.7697
            26  O1a O     0.3311  -14.9250
            27  O7x O     4.2997  -14.9566
            28  O7x O     2.9777  -14.9450
            29  C8y C     4.2933  -17.2488
            30  O1a O     3.6260  -18.3890
            31  C8y C    -0.3169  -13.0056
            32  O7x O     2.3339  -13.0256
            33  O7x O     1.6834  -11.8729
            34  O1a O    -0.9875  -14.1459
            35  C1y C     4.3098  -14.1891
            36  O1a O     4.9582  -17.6298
            37  O1a O    -0.9741  -12.6178
            38  C1x C     2.9979  -12.6452
            39  C1y C     4.9745  -13.8129
            40  C1y C     3.6492  -13.8012
            41  C1y C     3.6593  -13.0372
            42  C1y C     4.9847  -13.0447
            43  O1a O     5.6351  -14.2043
            44  O1a O     2.9810  -14.1774
            45  O2x O     4.3233  -12.6603
BOND        49
            1     6   9 1
            2     7  10 1
            3     8  11 1
            4     7   8 1
            5     1  12 1
            6     1   2 1
            7     1   3 2
            8     2   4 2
            9     2   5 1
            10    4   6 1
            11    5   7 2
            12    6   8 2
            13   13  14 1
            14   13  15 2
            15   13  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   15  20 1
            20   16  21 2
            21   16  22 1
            22   17  23 2
            23   17  24 1
            24   18  25 1
            25   18  26 1
            26   19  27 1
            27   19  28 2
            28   20  29 2
            29   21  30 1
            30   23  31 1
            31   24  32 1
            32   24  33 2
            33   25  34 1
            34   35  27 1 #Up
            35   29  36 1
            36   31  37 1
            37   32  38 1
            38   35  39 1
            39   35  40 1
            40   41  38 1 #Up
            41   39  42 1
            42   39  43 1 #Down
            43   40  44 1 #Down
            44   41  45 1
            45   42  12 1 #Up
            46   21  29 1
            47   25  31 2
            48   40  41 1
            49   42  45 1


entry: C10220
name: --- - 3,5-Di-O-galloyl-4-O-digalloylquinic acid
formula: C35H28O22
kcf:
ATOM        57
            1   O7a O    18.8816  -12.7119
            2   C7a C    19.7241  -13.1779
            3   C8y C    19.7208  -14.0029
            4   O7a O    20.4402  -12.7683
            5   C8x C    19.0065  -14.4065
            6   C8y C    19.0031  -15.2314
            7   C8y C    19.7159  -15.6469
            8   C8y C    20.4320  -15.2373
            9   C8x C    20.4354  -14.4123
            10  C7a C    15.3644  -12.3510
            11  C8y C    14.6500  -12.7640
            12  O7a O    15.3758  -11.5290
            13  C8x C    13.9364  -12.3432
            14  C8x C    14.6469  -13.5853
            15  C8y C    13.2216  -12.7555
            16  C8y C    13.9305  -13.9946
            17  C8y C    13.2170  -13.5825
            18  O1a O    12.5065  -12.3405
            19  O1a O    13.9276  -14.8245
            20  O1a O    12.5006  -13.9918
            21  O7a O    16.0293  -12.7016
            22  C1z C    17.4603  -11.0577
            23  C1x C    16.7441  -11.4673
            24  C1y C    16.7416  -12.2938
            25  C1y C    17.4532  -12.7070
            26  C1y C    18.1693  -12.2974
            27  C1x C    18.1739  -11.4746
            28  C6a C    17.4640  -10.2327
            29  O7a O    17.4504  -13.5320
            30  O1a O    16.7285  -10.7045
            31  O6a O    16.7514   -9.8169
            32  O6a O    18.1804   -9.8234
            33  C7a C    16.7346  -13.9422
            34  C8y C    16.7319  -14.7671
            35  C8x C    16.0190  -15.1755
            36  C8y C    16.0162  -16.0005
            37  C8y C    16.7293  -16.4154
            38  C8y C    17.4451  -16.0052
            39  C8x C    17.4479  -15.1803
            40  O7a O    16.0215  -13.5273
            41  O1a O    18.1583  -16.4201
            42  O1a O    16.7266  -17.2403
            43  O7a O    15.3004  -16.4106
            44  O1a O    18.2870  -15.6410
            45  O1a O    19.7126  -16.4719
            46  O1a O    21.1448  -15.6527
            47  C7a C    14.5873  -15.9957
            48  C8y C    13.8715  -16.4059
            49  O7a O    14.5900  -15.1708
            50  C8x C    13.1634  -15.9908
            51  C8y C    12.4475  -16.4009
            52  C8y C    12.4448  -17.2260
            53  C8y C    13.1579  -17.6408
            54  C8x C    13.8738  -17.2307
            55  O1a O    13.1551  -18.4658
            56  O1a O    11.7289  -17.6361
            57  O1a O    11.7345  -15.9861
BOND        61
            1    22  28 1 #Up
            2     9   3 1
            3    25  29 1 #Down
            4    24  21 1 #Down
            5     2   3 1
            6    22  30 1 #Down
            7    21  10 1
            8    28  31 1
            9    10  11 1
            10   28  32 2
            11   10  12 2
            12   29  33 1
            13   11  13 1
            14   33  34 1
            15   11  14 2
            16   13  15 2
            17   14  16 1
            18   15  17 1
            19   15  18 1
            20   34  35 2
            21   35  36 1
            22   36  37 2
            23   37  38 1
            24   38  39 2
            25   39  34 1
            26   16  19 1
            27   33  40 2
            28   17  20 1
            29   38  41 1
            30   16  17 2
            31   37  42 1
            32    1   2 1
            33   36  43 1
            34    2   4 2
            35    6  44 1
            36    7  45 1
            37    3   5 2
            38    8  46 1
            39    5   6 1
            40   43  47 1
            41    6   7 2
            42   47  48 1
            43    7   8 1
            44   47  49 2
            45   22  23 1
            46   23  24 1
            47   24  25 1
            48   25  26 1
            49   26  27 1
            50   48  50 2
            51   50  51 1
            52   51  52 2
            53   52  53 1
            54   53  54 2
            55   54  48 1
            56   27  22 1
            57   53  55 1
            58   26   1 1 #Up
            59   52  56 1
            60    8   9 2
            61   51  57 1


entry: C10221
name: --- - Epicatechin-(4beta->8)-ent-epicatechin
formula: C30H26O12
kcf:
ATOM        42
            1   C1y C     3.9797  -11.8745
            2   C8y C     3.2694  -11.4538
            3   C1y C     4.7004  -11.4676
            4   C8y C     3.2763  -10.6262
            5   C8y C     2.5487  -11.8676
            6   C1y C     4.7073  -10.6400
            7   O1a O     5.4108  -11.8883
            8   O2x O     3.9970  -10.2227
            9   C8x C     2.5591  -10.2089
            10  C8x C     1.8315  -11.4469
            11  O1a O     1.8211  -12.2745
            12  C8y C     1.8384  -10.6158
            13  O1a O     1.1246  -10.1986
            14  C8y C     5.4250  -10.2332
            15  C8x C     6.1349  -10.6572
            16  C8x C     5.4280   -9.4089
            17  C8y C     6.8590  -10.2503
            18  C8x C     6.1522   -8.9986
            19  C8y C     6.8660   -9.4193
            20  O1a O     7.5728  -10.6676
            21  O1a O     7.5901   -9.0124
            22  C8y C     3.9832  -12.7055
            23  C8y C     4.6970  -13.1158
            24  C8y C     3.2590  -13.1158
            25  C8y C     4.6935  -13.9434
            26  O2x O     5.4142  -12.7055
            27  C8x C     3.2590  -13.9434
            28  O1a O     2.5418  -12.6986
            29  C1x C     5.4073  -14.3641
            30  C8y C     3.9797  -14.3607
            31  C1y C     6.1280  -13.1227
            32  C1y C     6.1246  -13.9503
            33  O1a O     3.9832  -15.1917
            34  O1a O     6.8418  -14.3710
            35  C8y C     6.8487  -12.7124
            36  C8x C     7.5660  -13.1296
            37  C8x C     6.8522  -11.8848
            38  C8y C     8.2866  -12.7193
            39  C8x C     7.5728  -11.4710
            40  C8y C     8.2901  -11.8917
            41  O1a O     9.0004  -13.1365
            42  O1a O     9.0073  -11.4779
BOND        47
            1    17  20 1
            2    19  21 1
            3    18  19 1
            4     4   9 1
            5     1  22 1 #Up
            6     5  10 2
            7     5  11 1
            8     9  12 2
            9    12  13 1
            10    6   8 1
            11   10  12 1
            12    6  14 1 #Down
            13    1   2 1
            14    1   3 1
            15    2   4 2
            16    2   5 1
            17   22  23 1
            18   22  24 2
            19   23  25 2
            20   23  26 1
            21   24  27 1
            22   24  28 1
            23   25  29 1
            24   25  30 1
            25   26  31 1
            26   29  32 1
            27   30  33 1
            28   32  34 1 #Up
            29   27  30 2
            30   31  32 1
            31    3   6 1
            32   31  35 1 #Up
            33    3   7 1 #Down
            34    4   8 1
            35   14  15 2
            36   14  16 1
            37   15  17 1
            38   16  18 2
            39   17  19 2
            40   35  36 2
            41   35  37 1
            42   36  38 1
            43   37  39 2
            44   38  40 2
            45   38  41 1
            46   40  42 1
            47   39  40 1


entry: C10222
name: --- - "[Epicatechin-(4beta->8)]5-epicatechin"
formula: C90H74O36
kcf:
ATOM        126
            1   C8y C     7.0058  -17.0902
            2   C8y C     7.7258  -17.4796
            3   C8y C     6.3011  -17.5094
            4   C8y C     7.7445  -18.3074
            5   O2x O     8.4389  -17.0605
            6   C8x C     6.3232  -18.3372
            7   O1a O     5.5693  -17.1199
            8   C1x C     8.4644  -18.7086
            9   C8y C     7.0432  -18.7384
            10  C1y C     9.1588  -17.4499
            11  C1y C     9.1699  -18.2777
            12  O1a O     7.0653  -19.5663
            13  O1a O     9.8975  -18.6865
            14  C8y C     9.8678  -17.0349
            15  C8x C    10.5843  -17.4277
            16  C8x C     9.8490  -16.2105
            17  C8y C    11.3008  -17.0086
            18  C8x C    10.5587  -15.7796
            19  C8y C    11.2821  -16.1849
            20  O1a O    12.0249  -17.4056
            21  O1a O    11.9911  -15.7499
            22  C8y C     5.5325  -14.6428
            23  C8y C     6.2566  -15.0363
            24  C8y C     4.8236  -15.0695
            25  C8y C     6.2753  -15.8600
            26  O2x O     6.9613  -14.6130
            27  C8x C     4.8423  -15.8898
            28  O1a O     4.0995  -14.6725
            29  C1y C     6.9911  -16.2612
            30  C8y C     5.5698  -16.2909
            31  C1y C     7.6855  -15.0100
            32  C1y C     7.7042  -15.8303
            33  O1a O     4.8499  -16.6956
            34  O1a O     8.4242  -16.2391
            35  C8y C     8.3952  -14.5824
            36  C8x C     9.1144  -14.9803
            37  C8x C     8.3758  -13.7630
            38  C8y C     9.8198  -14.5612
            39  C8x C     9.0888  -13.3322
            40  C8y C     9.8088  -13.7333
            41  O1a O    10.5474  -14.9658
            42  O1a O    10.5177  -13.3100
            43  C8y C     4.0530  -12.1877
            44  C8y C     4.7730  -12.5847
            45  C8y C     3.3476  -12.6179
            46  C8y C     4.7917  -13.4126
            47  O2x O     5.4895  -12.1580
            48  C8x C     3.3662  -13.4458
            49  O1a O     2.6241  -12.2251
            50  C1y C     5.5193  -13.8138
            51  C8y C     4.0938  -13.8393
            52  C1y C     6.2137  -12.5626
            53  C1y C     6.2323  -13.3905
            54  O1a O     3.3697  -14.2440
            55  O1a O     6.9481  -13.7840
            56  C8y C     6.9210  -12.1379
            57  C8x C     7.6349  -12.5405
            58  C8x C     6.9039  -11.3080
            59  C8y C     8.3438  -12.1138
            60  C8x C     7.6051  -10.8847
            61  C8y C     8.3293  -11.2859
            62  O1a O     9.0680  -12.5066
            63  O1a O     9.0382  -10.8550
            64  C1y C     4.0405  -11.3580
            65  C8y C     3.3205  -10.9603
            66  C1y C     4.7536  -10.9306
            67  C8y C     3.3054  -10.1366
            68  C8y C     2.6185  -11.3836
            69  C1y C     4.7349  -10.1027
            70  O1a O     5.4770  -11.3317
            71  C8y C     2.5853   -9.7354
            72  O2x O     4.0107   -9.7057
            73  C8x C     1.8951  -10.9901
            74  O1a O     1.8986  -11.7881
            75  C8y C     1.8765  -10.1622
            76  O1a O     1.1447   -9.7652
            77  C8y C     5.4515   -9.6802
            78  C8x C     6.1672  -10.0806
            79  C8x C     5.4327   -8.8557
            80  C8y C     6.8727   -9.6580
            81  C8x C     6.1340   -8.4290
            82  C8y C     6.8616   -8.8302
            83  O1a O     7.5926  -10.0584
            84  O1a O     7.5671   -8.4027
            85  C1y C     2.5600   -8.9066
            86  C8y C     1.8283   -8.5096
            87  C1y C     3.2613   -8.4689
            88  C8y C     1.8138   -7.6852
            89  C8y C     1.1346   -8.9440
            90  C1y C     3.2392   -7.6444
            91  O1a O     3.9931   -8.8658
            92  C8y C     1.0897   -7.2958
            93  O2x O     2.5116   -7.2551
            94  C8x C     0.4105   -8.5428
            95  O1a O     0.4216   -9.3596
            96  C8y C     0.3884   -7.7225
            97  O1a O    -0.3316   -7.3290
            98  C8y C     3.9458   -7.2118
            99  C8x C     4.6723   -7.6036
            100 C8x C     3.9150   -6.3863
            101 C8y C     5.3736   -7.1734
            102 C8x C     4.6238   -5.9520
            103 C8y C     5.3514   -6.3531
            104 O1a O     6.1012   -7.5669
            105 O1a O     6.0527   -5.9112
            106 C1y C     1.0708   -6.4681
            107 C8y C     0.3391   -6.0669
            108 C1y C     1.7721   -6.0372
            109 C8y C     0.3280   -5.2467
            110 C8y C    -0.3581   -6.4978
            111 C1y C     1.7534   -5.2135
            112 O1a O     2.4997   -6.4384
            113 O2x O     1.0259   -4.8259
            114 C8x C    -0.3919   -4.8503
            115 C8x C    -1.0898   -6.0967
            116 O1a O    -1.0746   -6.9211
            117 C8y C    -1.1085   -5.2689
            118 O1a O    -1.8284   -4.8914
            119 C8y C     2.4589   -4.7883
            120 C8x C     3.1789   -5.1762
            121 C8x C     2.4326   -3.9703
            122 C8y C     3.8844   -4.7547
            123 C8x C     3.1457   -3.5254
            124 C8y C     3.8656   -3.9326
            125 O1a O     4.6195   -5.1430
            126 O1a O     4.5788   -3.4878
BOND        143
            1    56  58 1
            2    57  59 1
            3    58  60 2
            4    59  61 2
            5    59  62 1
            6    61  63 1
            7    60  61 1
            8    24  28 1
            9    25  29 1
            10   25  30 1
            11   26  31 1
            12   29  32 1
            13   30  33 1
            14   32  34 1 #Down
            15   27  30 2
            16   31  32 1
            17    3   6 1
            18   31  35 1 #Down
            19    3   7 1
            20    4   8 1
            21   64  65 1
            22   64  66 1
            23   65  67 2
            24   65  68 1
            25   66  69 1
            26   66  70 1 #Down
            27   67  71 1
            28   67  72 1
            29   68  73 2
            30   68  74 1
            31   71  75 2
            32   75  76 1
            33   69  72 1
            34   73  75 1
            35   14  15 2
            36   69  77 1 #Down
            37   14  16 1
            38   15  17 1
            39   16  18 2
            40   17  19 2
            41   35  36 2
            42   35  37 1
            43   36  38 1
            44   77  78 2
            45   77  79 1
            46   78  80 1
            47   79  81 2
            48   80  82 2
            49   80  83 1
            50   82  84 1
            51   81  82 1
            52   37  39 2
            53   38  40 2
            54   38  41 1
            55   40  42 1
            56   39  40 1
            57   17  20 1
            58   19  21 1
            59   18  19 1
            60    4   9 1
            61    5  10 1
            62    8  11 1
            63    9  12 1
            64   11  13 1 #Down
            65   85  86 1
            66   85  87 1
            67   86  88 2
            68   86  89 1
            69   87  90 1
            70   87  91 1 #Down
            71   88  92 1
            72   88  93 1
            73   89  94 2
            74   89  95 1
            75   92  96 2
            76   96  97 1
            77   90  93 1
            78   94  96 1
            79    6   9 2
            80   90  98 1 #Down
            81   10  11 1
            82   10  14 1 #Down
            83    1   2 1
            84   43  44 1
            85   43  45 2
            86   44  46 2
            87   98  99 2
            88   98 100 1
            89   99 101 1
            90  100 102 2
            91  101 103 2
            92  101 104 1
            93  103 105 1
            94  102 103 1
            95   44  47 1
            96   45  48 1
            97   45  49 1
            98   46  50 1
            99   46  51 1
            100  47  52 1
            101  50  53 1
            102  51  54 1
            103  53  55 1 #Down
            104  48  51 2
            105  52  53 1
            106   1   3 2
            107  52  56 1 #Down
            108 106 107 1
            109 106 108 1
            110 107 109 2
            111 107 110 1
            112 108 111 1
            113 108 112 1 #Down
            114 109 113 1
            115 109 114 1
            116 110 115 2
            117 110 116 1
            118 114 117 2
            119 117 118 1
            120 111 113 1
            121 115 117 1
            122   2   4 2
            123 111 119 1 #Down
            124   2   5 1
            125  22  23 1
            126  22  24 2
            127  23  25 2
            128  23  26 1
            129  24  27 1
            130  56  57 2
            131 119 120 2
            132 119 121 1
            133 120 122 1
            134 121 123 2
            135 122 124 2
            136 122 125 1
            137 124 126 1
            138 123 124 1
            139 106  92 1 #Up
            140  85  71 1 #Up
            141  64  43 1 #Up
            142  50  22 1 #Up
            143  29   1 1 #Up


entry: C10223
name: --- - Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
formula: C37H30O17
kcf:
ATOM        54
            1   C1y C     2.1079  -12.7011
            2   C8y C     1.3941  -12.2873
            3   C1y C     2.8320  -12.2942
            4   C8y C     1.3975  -11.4562
            5   C8y C     0.6803  -12.7011
            6   C1y C     2.8355  -11.4631
            7   O2x O     2.1182  -11.0494
            8   C8x C     0.6837  -11.0459
            9   C8x C    -0.0370  -12.2873
            10  O1a O    -0.0363  -13.1043
            11  C8y C     3.5527  -11.0528
            12  C8y C    -0.0370  -11.4562
            13  C8x C     4.2665  -11.4700
            14  C8x C     3.5527  -10.2252
            15  O1a O    -0.7576  -11.0459
            16  C8y C     4.9872  -11.0631
            17  C8y C     4.2734   -9.8149
            18  C8y C     4.9906  -10.2321
            19  O1a O     5.7113   -9.8183
            20  O1a O     5.6988  -11.4805
            21  O1a O     4.2772   -8.9899
            22  O1a O     3.5431  -12.7123
            23  C8y C     2.1079  -13.5252
            24  C8y C     2.8182  -13.9356
            25  C8y C     1.3941  -13.9321
            26  C8y C     2.8113  -14.7562
            27  O2x O     3.5286  -13.5356
            28  C8x C     1.3906  -14.7528
            29  C1x C     3.5148  -15.1769
            30  C8y C     2.1010  -15.1700
            31  C1y C     4.2355  -13.9493
            32  C1y C     4.2286  -14.7700
            33  O1a O     2.1010  -15.9976
            34  C8y C     4.9596  -13.5425
            35  C8x C     5.6734  -13.9597
            36  C8x C     4.9630  -12.7114
            37  C8y C     6.3941  -13.5528
            38  C8x C     5.6872  -12.3011
            39  C8y C     6.4010  -12.7252
            40  O1a O     7.1217  -12.3114
            41  O1a O     0.6817  -13.5161
            42  O1a O     7.1048  -13.9717
            43  O7a O     4.9402  -15.1875
            44  C7a C     4.9344  -16.0124
            45  O7a O     4.2171  -16.4200
            46  C8y C     5.6460  -16.4299
            47  C8x C     5.6401  -17.2541
            48  C8y C     6.3517  -17.6715
            49  C8y C     7.0690  -17.2640
            50  C8y C     7.0747  -16.4390
            51  C8x C     6.3631  -16.0216
            52  O1a O     7.7806  -17.6815
            53  O1a O     7.7920  -16.0315
            54  O1a O     6.3459  -18.4965
BOND        60
            1     4   7 1
            2     4   8 1
            3     5   9 2
            4     5  10 1
            5     6  11 1 #Down
            6     8  12 2
            7    11  13 2
            8    11  14 1
            9    12  15 1
            10   13  16 1
            11   14  17 2
            12   16  18 2
            13   18  19 1
            14   23  24 1
            15   23  25 2
            16   24  26 2
            17   24  27 1
            18   25  28 1
            19   26  29 1
            20   26  30 1
            21   27  31 1
            22   29  32 1
            23   30  33 1
            24   31  34 1 #Down
            25   34  35 2
            26   34  36 1
            27   35  37 1
            28   36  38 2
            29   37  39 2
            30   39  40 1
            31   28  30 2
            32   31  32 1
            33   38  39 1
            34   25  41 1
            35   37  42 1
            36   16  20 1
            37   32  43 1 #Down
            38    6   7 1
            39   43  44 1
            40   17  21 1
            41   44  45 2
            42    9  12 1
            43   44  46 1
            44    3  22 1 #Down
            45   17  18 1
            46    1  23 1 #Up
            47    1   2 1
            48    1   3 1
            49   46  47 2
            50   47  48 1
            51   48  49 2
            52   49  50 1
            53   50  51 2
            54   51  46 1
            55    2   4 2
            56   49  52 1
            57    2   5 1
            58   50  53 1
            59    3   6 1
            60   48  54 1


entry: C10224
name: --- - Eugeniin - Tellimagrandin II
formula: C41H30O26
kcf:
ATOM        67
            1   C1y C     5.3612  -11.2573
            2   C1y C     6.0664  -10.8447
            3   C1y C     4.6713  -10.8447
            4   O7a O     5.3578  -12.0132
            5   C1y C     6.0664  -10.0422
            6   O7a O     6.7639  -11.2872
            7   C1y C     4.6713  -10.0422
            8   O7x O     3.3748  -11.5081
            9   C7a C     4.7727  -12.4466
            10  O2x O     5.3612   -9.6448
            11  O7a O     6.7674   -9.6448
            12  C7a C     6.7639  -12.0973
            13  C1x C     3.9799   -9.6448
            14  C7x C     3.3748  -12.4002
            15  C8y C     4.7513  -13.2145
            16  O7a O     4.0995  -12.0617
            17  C7a C     7.4656   -9.2399
            18  C8y C     7.4580  -12.4982
            19  O7a O     6.0698  -12.4982
            20  O7x O     3.3630  -10.1609
            21  C8y C     2.6765  -12.8010
            22  O7x O     4.0442  -12.8190
            23  C8x C     4.0572  -13.6291
            24  C8x C     5.4557  -13.6015
            25  C8y C     8.1556   -9.6483
            26  O7a O     7.4691   -8.4374
            27  C8x C     7.4580  -13.3110
            28  C8x C     8.1522  -12.0973
            29  C7x C     2.6648   -9.7559
            30  C8x C     2.6765  -13.6179
            31  C8y C     1.9832  -12.4002
            32  C8y C     4.0641  -14.4385
            33  C8y C     5.4730  -14.4143
            34  C8x C     8.1556  -10.4611
            35  C8x C     8.8642   -9.2433
            36  C8y C     8.1522  -13.7228
            37  C8y C     8.8608  -12.4982
            38  C8y C     1.9707  -10.1609
            39  O7x O     2.6648   -8.9500
            40  C8y C     1.9832  -14.0300
            41  C8y C     1.2746  -12.8010
            42  C8y C     4.7796  -14.8332
            43  O1a O     3.3734  -14.8539
            44  O1a O     6.1781  -14.8015
            45  C8y C     8.8642  -10.8689
            46  C8y C     9.5583   -9.6483
            47  C8y C     8.8608  -13.3110
            48  O1a O     8.1522  -14.5253
            49  O1a O     9.5549  -12.0939
            50  C8y C     1.9707  -10.9744
            51  C8x C     1.2766   -9.7559
            52  C8y C     1.2746  -13.6179
            53  O1a O     1.9866  -14.8358
            54  O1a O     0.5805  -12.4002
            55  O1a O     4.7616  -15.7640
            56  C8y C     9.5445  -10.4328
            57  O1a O     8.8642  -11.6754
            58  O1a O    10.2566   -9.2433
            59  O1a O     9.5583  -13.7125
            60  C8y C     1.2766  -11.3857
            61  C8y C     0.5722  -10.1609
            62  O1a O     0.5805  -14.0196
            63  O1a O    10.2600  -10.8551
            64  C8y C     0.5722  -10.9744
            65  O1a O     1.2766  -12.1880
            66  O1a O    -0.1261   -9.7525
            67  O1a O    -0.1295  -11.3753
BOND        73
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1 #Up
            13    8  14 1
            14    9  15 1
            15    9  16 2
            16   11  17 1
            17   12  18 1
            18   12  19 2
            19   13  20 1
            20   14  21 1
            21   14  22 2
            22   15  23 1
            23   15  24 2
            24   17  25 1
            25   17  26 2
            26   18  27 1
            27   18  28 2
            28   20  29 1
            29   21  30 1
            30   21  31 2
            31   23  32 2
            32   24  33 1
            33   25  34 2
            34   25  35 1
            35   27  36 2
            36   28  37 1
            37   29  38 1
            38   29  39 2
            39   30  40 2
            40   31  41 1
            41   32  42 1
            42   32  43 1
            43   33  44 1
            44   34  45 1
            45   35  46 2
            46   36  47 1
            47   36  48 1
            48   37  49 1
            49   38  50 1
            50   38  51 2
            51   40  52 1
            52   40  53 1
            53   41  54 1
            54   42  55 1
            55   45  56 2
            56   45  57 1
            57   46  58 1
            58   47  59 1
            59   50  60 2
            60   51  61 1
            61   52  62 1
            62   56  63 1
            63   60  64 1
            64   60  65 1
            65   61  66 1
            66   64  67 1
            67    7  10 1
            68   33  42 2
            69   37  47 2
            70   41  52 2
            71   46  56 1
            72   61  64 2
            73   50  31 1


entry: C10225
name: --- - ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol
formula: C45H38O16
kcf:
ATOM        61
            1   C1y C     3.9836  -13.1353
            2   C8y C     3.9836  -13.9664
            3   C1y C     3.2698  -12.7216
            4   C8y C     3.2664  -14.3767
            5   C8x C     4.7009  -14.3836
            6   C1y C     2.5491  -13.1353
            7   O1a O     3.2698  -11.8940
            8   O2x O     2.5491  -13.9664
            9   C8x C     3.2629  -15.2043
            10  C8x C     4.6974  -15.2112
            11  C8y C     3.9802  -15.6181
            12  O1a O     3.9767  -16.4491
            13  C8y C     1.8284  -12.7216
            14  C8x C     1.8319  -11.8974
            15  C8x C     1.1147  -13.1388
            16  C8y C     1.1147  -11.4802
            17  C8x C     0.3940  -12.7250
            18  C8y C     0.3940  -11.8974
            19  O1a O     1.1147  -10.6526
            20  O1a O    -0.3233  -11.4802
            21  C8y C     4.7043  -12.7250
            22  C1y C     5.4181  -10.6560
            23  C8y C     4.7043  -10.2422
            24  C1y C     6.1388  -10.2422
            25  C8y C     4.7078   -9.4147
            26  C8x C     3.9871  -10.6491
            27  C1y C     6.1388   -9.4147
            28  O1a O     6.8560  -10.6560
            29  O2x O     5.4181   -8.9974
            30  C8x C     3.9940   -8.9974
            31  C8x C     3.2698  -10.2353
            32  C8y C     3.2733   -9.4078
            33  O1a O     2.5560   -8.9905
            34  C8y C     6.8526   -8.9974
            35  C8x C     7.5733   -9.4147
            36  C8x C     6.8526   -8.1664
            37  C8y C     8.2905   -8.9974
            38  C8x C     7.5733   -7.7560
            39  C8y C     8.2905   -8.1664
            40  O1a O     9.0078   -9.4147
            41  O1a O     9.0112   -7.7560
            42  C8y C     5.4164  -11.4810
            43  C8y C     6.1353  -11.8974
            44  C8y C     4.7043  -11.8940
            45  C8y C     6.1319  -12.7216
            46  O2x O     6.8560  -11.4871
            47  O1a O     3.9836  -11.4802
            48  C8y C     5.4181  -13.1388
            49  C1x C     6.8457  -13.1388
            50  C1y C     7.5698  -11.9043
            51  O1a O     5.4181  -13.9664
            52  C1y C     7.5629  -12.7319
            53  O1a O     8.2802  -13.1491
            54  C8y C     8.2871  -11.4967
            55  C8x C     9.0009  -11.9147
            56  C8x C     8.2905  -10.6664
            57  C8y C     9.7216  -11.5043
            58  C8x C     9.0112  -10.2560
            59  C8y C     9.7284  -10.6733
            60  O1a O    10.4388  -11.9250
            61  O1a O    10.4491  -10.2664
BOND        69
            1    24  27 1
            2    24  28 1 #Down
            3    25  29 1
            4    25  30 1
            5    26  31 2
            6    30  32 2
            7    32  33 1
            8    27  29 1
            9    31  32 1
            10    3   7 1 #Down
            11   27  34 1 #Up
            12    4   8 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   16  19 1
            19   34  35 2
            20   34  36 1
            21   35  37 1
            22   36  38 2
            23   37  39 2
            24   37  40 1
            25   39  41 1
            26   38  39 1
            27   18  20 1
            28   22  42 1 #Up
            29   17  18 1
            30    4   9 1
            31    1  21 1 #Up
            32    5  10 2
            33    9  11 2
            34   11  12 1
            35    6   8 1
            36   10  11 1
            37    6  13 1 #Down
            38    1   2 1
            39   42  43 1
            40   42  44 2
            41   43  45 2
            42   43  46 1
            43   44  21 1
            44   44  47 1
            45   45  48 1
            46   45  49 1
            47   46  50 1
            48   48  51 1
            49   49  52 1
            50   52  53 1 #Up
            51   21  48 2
            52   50  52 1
            53    1   3 1
            54   50  54 1 #Down
            55    2   4 2
            56    2   5 1
            57    3   6 1
            58   22  23 1
            59   22  24 1
            60   23  25 2
            61   23  26 1
            62   54  55 2
            63   54  56 1
            64   55  57 1
            65   56  58 2
            66   57  59 2
            67   57  60 1
            68   59  61 1
            69   58  59 1


entry: C10226
name: --- - Fucofuroeckol B
formula: C24H14O11
kcf:
ATOM        35
            1   C8y C    10.2206   -6.1366
            2   C8y C     9.4275   -6.3918
            3   C8y C    10.2206   -5.3056
            4   C8y C    10.9378   -6.5539
            5   C8y C     8.9447   -5.7228
            6   C8y C     9.0895   -7.1470
            7   O2x O     9.4309   -5.0470
            8   C8x C    10.9378   -4.8953
            9   C8y C    11.6516   -6.1366
            10  O1a O    10.9413   -7.3815
            11  C8x C     8.1240   -5.8056
            12  C8x C     8.2689   -7.2297
            13  O1a O     9.5723   -7.8159
            14  C8y C    11.6551   -5.3056
            15  O2x O    12.3689   -6.5539
            16  C8y C     7.7826   -6.5608
            17  O2x O    12.3758   -4.8987
            18  C8y C    13.0861   -6.1401
            19  O1a O     6.9585   -6.6435
            20  C8y C    13.0930   -5.3125
            21  C8y C    13.7930   -6.5608
            22  C8y C    13.8102   -4.9090
            23  O2a O    13.7861   -7.3918
            24  C8y C    14.5137   -6.1539
            25  C8x C    14.5206   -5.3263
            26  O1a O    13.8171   -4.0780
            27  C8y C    14.4964   -7.8056
            28  O1a O    15.2309   -6.5746
            29  C8x C    14.4930   -8.6366
            30  C8x C    15.2171   -7.3987
            31  C8y C    15.2102   -9.0573
            32  C8y C    15.9344   -7.8125
            33  C8x C    15.9309   -8.6435
            34  O1a O    15.2063   -9.8823
            35  O1a O    16.6496   -7.4014
BOND        40
            1     1   3 1
            2     1   4 2
            3     2   5 2
            4     2   6 1
            5     3   7 1
            6     3   8 2
            7     4   9 1
            8     4  10 1
            9     5  11 1
            10    6  12 2
            11    6  13 1
            12    8  14 1
            13    9  15 1
            14   11  16 2
            15   14  17 1
            16   15  18 1
            17   16  19 1
            18   17  20 1
            19   18  21 2
            20   20  22 2
            21   21  23 1
            22   21  24 1
            23   22  25 1
            24   22  26 1
            25   23  27 1
            26   24  28 1
            27   27  29 2
            28   27  30 1
            29   29  31 1
            30   30  32 2
            31   31  33 2
            32    5   7 1
            33    9  14 2
            34   12  16 1
            35   18  20 1
            36   24  25 2
            37   32  33 1
            38   31  34 1
            39    1   2 1
            40   32  35 1


entry: C10227
name: --- - Gallocatechin-(4alpha->8)-epigallocatechin
formula: C30H26O14
kcf:
ATOM        44
            1   C1y C     9.0829   -7.2064
            2   C8y C     8.3656   -6.7926
            3   C1y C     9.8036   -6.7926
            4   C8y C     8.3656   -5.9684
            5   C8y C     7.6484   -7.2029
            6   C1y C     9.8036   -5.9650
            7   O1a O    10.5174   -7.2064
            8   O2x O     9.0863   -5.5477
            9   C8x C     7.6518   -5.5512
            10  C8x C     6.9346   -6.7891
            11  O1a O     6.9277   -7.6133
            12  C8y C     6.9346   -5.9650
            13  O1a O     6.2174   -5.5477
            14  C8y C    10.5139   -5.5512
            15  C8x C    11.2311   -5.9684
            16  C8x C    10.5139   -4.7201
            17  C8y C    11.9518   -5.5512
            18  C8y C    11.2346   -4.3098
            19  C8y C    11.9518   -4.7236
            20  O1a O    11.9449   -6.3788
            21  O1a O    11.2346   -3.4822
            22  O1a O    12.6725   -4.3098
            23  C8y C     9.0821   -8.0314
            24  C8y C     9.7967   -8.4512
            25  C8y C     8.3622   -8.4512
            26  C8y C     9.7932   -9.2788
            27  O2x O    10.5139   -8.0374
            28  C8x C     8.3622   -9.2788
            29  O1a O     7.6415   -8.0339
            30  C1x C    10.5070   -9.6960
            31  C8y C     9.0829   -9.6926
            32  C1y C    11.2311   -8.4581
            33  C1y C    11.2277   -9.2857
            34  O1a O     9.0829  -10.5201
            35  O1a O    11.9449   -9.7029
            36  C8y C    11.9484   -8.0443
            37  C8x C    12.6656   -8.4650
            38  C8x C    11.9518   -7.2167
            39  C8y C    13.3863   -8.0512
            40  C8y C    12.6725   -6.8064
            41  C8y C    13.3898   -7.2236
            42  O1a O    14.1036   -8.4719
            43  O1a O    12.6760   -5.9788
            44  O1a O    14.1105   -6.8133
BOND        49
            1    18  21 1
            2    19  22 1
            3    18  19 1
            4     5  10 2
            5     1  23 1 #Down
            6     5  11 1
            7     9  12 2
            8    12  13 1
            9     6   8 1
            10   10  12 1
            11    6  14 1 #Down
            12    1   2 1
            13    1   3 1
            14    2   4 2
            15    2   5 1
            16    3   6 1
            17   23  24 1
            18   23  25 2
            19   24  26 2
            20   24  27 1
            21   25  28 1
            22   25  29 1
            23   26  30 1
            24   26  31 1
            25   27  32 1
            26   30  33 1
            27   31  34 1
            28   33  35 1 #Down
            29   28  31 2
            30   32  33 1
            31    3   7 1 #Up
            32   32  36 1 #Down
            33    4   8 1
            34    4   9 1
            35   14  15 2
            36   14  16 1
            37   15  17 1
            38   16  18 2
            39   17  19 2
            40   17  20 1
            41   36  37 2
            42   36  38 1
            43   37  39 1
            44   38  40 2
            45   39  41 2
            46   39  42 1
            47   40  43 1
            48   41  44 1
            49   40  41 1


entry: C10228
name: --- - Gambiriin C - Epiafzelechin-(4beta->8)-catechin
formula: C30H26O11
kcf:
ATOM        41
            1   C1y C     7.4363   -7.3574
            2   C8y C     6.7225   -6.9436
            3   C1y C     8.1605   -6.9505
            4   C8y C     6.7260   -6.1161
            5   C8y C     6.0087   -7.3574
            6   C1y C     8.1639   -6.1195
            7   O1a O     8.8708   -7.3712
            8   O2x O     7.4467   -5.7057
            9   C8x C     6.0122   -5.7023
            10  C8x C     5.2915   -6.9436
            11  C8y C     5.2915   -6.1161
            12  O1a O     4.5708   -5.7023
            13  C8y C     8.8777   -5.7126
            14  C8x C     9.5949   -6.1298
            15  C8x C     8.8811   -4.8850
            16  C8x C    10.3156   -5.7195
            17  C8x C     9.6018   -4.4712
            18  C8y C    10.3191   -4.8919
            19  O1a O    11.0398   -4.4781
            20  C8y C     7.4363   -8.1816
            21  C8y C     8.1467   -8.5954
            22  C8y C     6.7225   -8.5885
            23  C8y C     8.1398   -9.4161
            24  O2x O     8.8570   -8.1919
            25  C8x C     6.7191   -9.4092
            26  C1x C     8.8432   -9.8333
            27  C8y C     7.4294   -9.8264
            28  C1y C     9.5639   -8.6057
            29  C1y C     9.5570   -9.4264
            30  O1a O     7.4294  -10.6540
            31  O1a O    10.2743   -9.8471
            32  C8y C    10.2814   -8.1984
            33  C8x C    11.0018   -8.6161
            34  C8x C    10.2915   -7.3712
            35  C8y C    11.7225   -8.2092
            36  C8x C    11.0156   -6.9574
            37  C8y C    11.7294   -7.3816
            38  O1a O    12.4398   -8.6299
            39  O1a O    12.4501   -6.9712
            40  O1a O     6.0100   -8.1726
            41  O1a O     5.2917   -7.7625
BOND        46
            1    17  18 1
            2     4   8 1
            3     1  20 1 #Up
            4     4   9 1
            5     5  10 2
            6     9  11 2
            7    11  12 1
            8     6   8 1
            9    10  11 1
            10    6  13 1 #Down
            11    1   2 1
            12    1   3 1
            13    2   4 2
            14   20  21 1
            15   20  22 2
            16   21  23 2
            17   21  24 1
            18   22  25 1
            19   23  26 1
            20   23  27 1
            21   24  28 1
            22   26  29 1
            23   27  30 1
            24   29  31 1 #Up
            25   25  27 2
            26   28  29 1
            27    2   5 1
            28   28  32 1 #Down
            29    3   6 1
            30    3   7 1 #Down
            31   13  14 2
            32   13  15 1
            33   14  16 1
            34   15  17 2
            35   16  18 2
            36   32  33 2
            37   32  34 1
            38   33  35 1
            39   34  36 2
            40   35  37 2
            41   35  38 1
            42   37  39 1
            43   36  37 1
            44   22  40 1
            45   18  19 1
            46    5  41 1


entry: C10229
name: --- - Gemin A
formula: C82H56O52
kcf:
ATOM        134
            1   C8y C    23.1081  -17.9777
            2   C8y C    22.4269  -18.3716
            3   C8x C    22.4280  -19.1633
            4   C8y C    23.1138  -19.5624
            5   C8y C    23.8027  -19.1614
            6   C8y C    23.8017  -18.3698
            7   O1a O    24.4854  -17.9712
            8   O1a O    24.4885  -19.5605
            9   O1a O    23.1149  -20.3541
            10  C7x C    21.7412  -17.9764
            11  C8y C    23.0916  -16.2943
            12  C8y C    16.5958  -16.6542
            13  C7a C    17.3020  -16.2500
            14  O7a O    18.1665  -16.7084
            15  O7a O    17.3020  -15.4375
            16  C8x C    15.8939  -16.2500
            17  C8y C    15.1877  -16.6542
            18  C8y C    15.1877  -17.4666
            19  C8y C    15.8939  -17.8750
            20  C8x C    16.5958  -17.4666
            21  O1a O    14.4858  -16.2500
            22  O1a O    14.4858  -17.8750
            23  O1a O    15.8939  -18.6875
            24  C7a C    18.7875  -17.9250
            25  O7a O    19.5728  -17.5166
            26  O7a O    18.0814  -17.5166
            27  C8y C    18.7875  -18.7375
            28  C1y C    18.8662  -15.4834
            29  C1y C    18.8666  -16.2958
            30  C1y C    19.5731  -16.7038
            31  C1y C    20.2747  -16.2992
            32  C1y C    20.2743  -15.4826
            33  O2x O    19.5722  -15.0788
            34  C8x C    18.0854  -19.1394
            35  C8y C    18.7915  -20.3602
            36  C8y C    19.4935  -19.9518
            37  C8x C    19.4935  -19.1394
            38  C8y C    18.0854  -19.9518
            39  O1a O    20.1954  -20.3602
            40  O1a O    18.7915  -21.1727
            41  O1a O    17.3834  -20.3602
            42  C1x C    20.9761  -15.0780
            43  O7x O    21.6824  -15.4819
            44  C7x C    22.3842  -15.0773
            45  C8y C    23.0906  -15.4811
            46  O7x O    22.3838  -14.2648
            47  C8y C    23.7940  -16.6995
            48  C8y C    24.4958  -16.2949
            49  C8y C    24.4953  -15.4824
            50  C8x C    23.7931  -15.0744
            51  O1a O    25.1970  -15.0737
            52  O1a O    25.1979  -16.6987
            53  O1a O    23.7944  -17.5119
            54  O7x O    21.0367  -18.3875
            55  O7x O    21.7353  -16.9281
            56  O7a O    18.8603  -14.4622
            57  C1y C    12.6737  -11.4739
            58  C1y C    13.3455  -11.0780
            59  C1y C    12.0171  -11.0780
            60  O7x O    12.6745  -12.1924
            61  C1y C    13.3455  -10.3172
            62  O7x O    14.0098  -11.4956
            63  C1y C    12.0171  -10.3172
            64  O7x O    10.7873  -11.7081
            65  C7x C    12.1185  -12.6049
            66  O2x O    12.6737   -9.9364
            67  C7x C    14.0098  -12.2723
            68  C1x C    11.3632   -9.9364
            69  C7x C    10.7873  -12.5585
            70  C8y C    12.0971  -13.3311
            71  O7x O    11.4786  -12.2367
            72  C8y C    14.6705  -12.6523
            73  O7x O    13.3489  -12.6523
            74  O7x O    10.7755  -10.4276
            75  C8y C    10.1266  -12.9427
            76  O7x O    11.4275  -12.9566
            77  C8x C    11.4363  -13.7291
            78  C8y C    12.7682  -13.7015
            79  C8y C    14.6705  -13.4276
            80  C8x C    15.3313  -12.2723
            81  C7x C    10.1149  -10.0434
            82  C8x C    10.1266  -13.7179
            83  C8y C     9.4623  -12.5585
            84  C8y C    11.4432  -14.4969
            85  C8y C    12.7855  -14.4727
            86  C8y C    15.3313  -13.8144
            87  C8y C    16.0025  -12.6523
            88  C8y C     9.4498  -10.4276
            89  O7x O    10.1149   -9.2792
            90  C8y C     9.4623  -14.1050
            91  C8y C     8.7913  -12.9427
            92  C8y C    12.1254  -14.8706
            93  O1a O    10.7859  -14.8913
            94  O1a O    13.4531  -14.8389
            95  C8y C    16.0025  -13.4276
            96  O1a O    15.3313  -14.5795
            97  O1a O    16.6674  -12.2689
            98  C8y C     9.4498  -11.1994
            99  C8x C     8.7933  -10.0434
            100 C8y C     8.7913  -13.7179
            101 O1a O     9.4657  -14.8732
            102 O1a O     8.1305  -12.5585
            103 O1a O    12.1074  -15.7556
            104 O1a O    16.6708  -13.8041
            105 C8y C     8.7933  -11.5941
            106 C8y C     8.1222  -10.4276
            107 O1a O     8.1305  -14.0946
            108 C8y C     8.1222  -11.1994
            109 O1a O     8.7933  -12.3546
            110 O1a O     7.4572  -10.0400
            111 O1a O     7.4538  -11.5837
            112 O7a O    14.0335   -9.9145
            113 C7a C    14.7286  -10.3120
            114 C8y C    15.4125   -9.9093
            115 O7a O    14.7317  -11.1077
            116 C8y C    16.1003  -10.3101
            117 C8y C    16.7924   -9.9075
            118 C8y C    16.7893   -9.1117
            119 C8y C    16.0942   -8.7142
            120 C8x C    15.4104   -9.1169
            121 O1a O    16.0912   -7.9185
            122 O1a O    17.4773   -8.7090
            123 O1a O    17.4834  -10.3049
            124 O2a O    16.8051  -11.6643
            125 C7a C    18.1757  -14.0613
            126 O7a O    17.4838  -14.4529
            127 C8y C    18.1805  -13.2654
            128 C8x C    18.8662  -12.8726
            129 C8y C    18.8711  -12.0767
            130 C8y C    18.1840  -11.6726
            131 C8y C    17.4964  -12.0683
            132 C8x C    17.4915  -12.8642
            133 O1a O    19.5671  -11.6810
            134 O1a O    18.1889  -10.8767
BOND        148
            1    24  26 2
            2     6   7 1
            3    24  27 1
            4    13  14 1
            5     5   8 1
            6    13  15 2
            7    29  14 1 #Up
            8     4   9 1
            9     2  10 1
            10    1   2 2
            11    2   3 1
            12   29  30 1
            13   30  31 1
            14   31  32 1
            15   32  42 1 #Down
            16   32  33 1
            17   42  43 1
            18   33  28 1
            19   43  44 1
            20   28  29 1
            21   44  45 1
            22   30  25 1 #Down
            23   44  46 2
            24    3   4 2
            25   12  16 1
            26   16  17 2
            27   17  18 1
            28   45  11 1
            29   11  47 2
            30   47  48 1
            31   48  49 2
            32   49  50 1
            33   50  45 2
            34   27  34 1
            35   49  51 1
            36   34  38 2
            37   48  52 1
            38   35  36 2
            39   47  53 1
            40   36  37 1
            41   10  54 2
            42   10  55 1
            43   37  27 2
            44   31  55 1 #Up
            45   28  56 1 #Up
            46   18  19 2
            47   35  38 1
            48   19  20 1
            49   36  39 1
            50   20  12 2
            51   35  40 1
            52    4   5 1
            53   38  41 1
            54   17  21 1
            55   18  22 1
            56    1  11 1
            57   19  23 1
            58    5   6 2
            59    6   1 1
            60   24  25 1
            61   12  13 1
            62   85  94 1
            63   86  95 1
            64   86  96 1
            65   87  97 1
            66   88  98 1
            67   88  99 2
            68   90 100 1
            69   90 101 1
            70   91 102 1
            71   92 103 1
            72   95 104 1
            73   98 105 2
            74   99 106 1
            75  100 107 1
            76  105 108 1
            77  105 109 1
            78  106 110 1
            79  108 111 1
            80   63  66 1
            81   85  92 2
            82   87  95 2
            83   91 100 2
            84  106 108 2
            85   98  83 1
            86   78  79 1
            87   61 112 1 #Down
            88  112 113 1
            89  113 114 1
            90  113 115 2
            91  114 116 2
            92  116 117 1
            93  117 118 2
            94  118 119 1
            95  119 120 2
            96  120 114 1
            97  119 121 1
            98  118 122 1
            99  117 123 1
            100 116 124 1
            101  57  58 1
            102  57  59 1
            103  57  60 1 #Up
            104  58  61 1
            105  58  62 1 #Down
            106  59  63 1
            107  59  64 1 #Down
            108  60  65 1
            109  61  66 1
            110  62  67 1
            111  63  68 1 #Up
            112  64  69 1
            113  65  70 1
            114  65  71 2
            115  67  72 1
            116  67  73 2
            117  68  74 1
            118  69  75 1
            119  69  76 2
            120  70  77 1
            121  70  78 2
            122  72  79 1
            123  72  80 2
            124  56 125 1
            125  74  81 1
            126 125 126 2
            127  75  82 1
            128 125 127 1
            129  75  83 2
            130  77  84 2
            131  78  85 1
            132  79  86 2
            133  80  87 1
            134 127 128 1
            135 128 129 2
            136 129 130 1
            137 130 131 2
            138 131 132 1
            139 132 127 2
            140  81  88 1
            141 129 133 1
            142  81  89 2
            143 130 134 1
            144 131 124 1
            145  82  90 2
            146  83  91 1
            147  84  92 1
            148  84  93 1


entry: C10230
name: --- - Geraniin
formula: C41H28O27
comment: Geraniin: major constituent of Geranium herb
kcf:
ATOM        68
            1   O7x O    10.8362   -7.0987
            2   C7x C    10.0715   -7.0987
            3   C1y C    10.5778   -5.6824
            4   C1y C    11.2123   -5.3155
            5   C1y C     9.9587   -5.3155
            6   C1y C    11.2123   -4.5921
            7   O7x O    11.8390   -5.7081
            8   C1y C     9.9587   -4.5921
            9   O7x O    10.5748   -6.4330
            10  O2x O    10.5778   -4.2364
            11  O7a O    11.8425   -4.2364
            12  C7x C    11.8390   -6.4347
            13  C1x C     9.3424   -4.2364
            14  C7x C     8.9956   -7.0585
            15  C7a C    12.4697   -3.8774
            16  C8y C    12.4621   -6.7981
            17  O7x O    11.2157   -6.7981
            18  O7x O     8.7880   -4.7026
            19  C8y C     8.1765   -7.0677
            20  O7x O     9.1608   -7.6898
            21  C8y C    13.0931   -4.2399
            22  O7a O    12.4732   -3.1582
            23  C8x C    13.0897   -6.4347
            24  C7x C     8.1648   -4.3351
            25  C8x C     8.1765   -7.8013
            26  C8y C     7.5499   -6.7085
            27  C8x C    13.0931   -4.9694
            28  C8x C    13.7225   -3.8808
            29  C8y C    13.7191   -6.7981
            30  C8y C     7.5374   -4.7026
            31  O7x O     8.1648   -3.6125
            32  C8y C     7.5499   -8.1717
            33  C8y C     6.9163   -7.0677
            34  C8y C    13.7225   -5.3356
            35  C8y C    14.3500   -4.2399
            36  C8y C    13.7191   -7.5277
            37  O1a O    14.3466   -6.4313
            38  C8y C     7.5374   -5.4286
            39  C8x C     6.9141   -4.3351
            40  C8y C     6.9163   -7.8013
            41  O1a O     7.5533   -8.8941
            42  O1a O     6.2888   -6.7085
            43  C8y C    14.3362   -4.9411
            44  O1a O    13.7225   -6.0587
            45  O1a O    14.9774   -3.8808
            46  O1a O    14.3500   -7.8833
            47  C8y C     6.9141   -5.8024
            48  C8y C     6.2805   -4.7026
            49  O1a O     6.2888   -8.1613
            50  O1a O    14.9808   -5.3218
            51  C8y C     6.2805   -5.4286
            52  O1a O     6.8933   -6.4088
            53  O1a O     5.6572   -4.3317
            54  O1a O     5.6538   -5.7920
            55  C8y C    13.0897   -7.8936
            56  O7x O     9.3044   -5.6864
            57  C2y C    10.0744   -7.8594
            58  C2x C     9.4151   -8.2445
            59  C5x C     9.4180   -9.0051
            60  C1z C    10.0792   -9.3808
            61  C1z C    10.7376   -9.0001
            62  C1y C    10.7347   -8.2395
            63  C8y C    12.4678   -7.5273
            64  O1a O    11.3744   -8.3476
            65  O1a O    11.6483   -9.0102
            66  O2x O    13.0905   -9.7892
            67  O1a O    10.0889  -10.1818
            68  O5x O     8.7509   -9.3910
BOND        76
            1    19  26 2
            2    21  27 2
            3    21  28 1
            4    23  29 1
            5    24  30 1
            6    24  31 2
            7    25  32 2
            8    26  33 1
            9    27  34 1
            10   28  35 2
            11   55  36 1
            12   29  37 1
            13   30  38 1
            14   30  39 2
            15   32  40 1
            16   32  41 1
            17   33  42 1
            18   34  43 2
            19   34  44 1
            20   35  45 1
            21   36  46 1
            22   38  47 2
            23   39  48 1
            24   40  49 1
            25   43  50 1
            26   47  51 1
            27   47  52 1
            28   48  53 1
            29   51  54 1
            30    8  10 1
            31   29  36 2
            32   33  40 2
            33   35  43 1
            34   48  51 2
            35   38  26 1
            36    1   2 2
            37    3   4 1
            38    3   5 1
            39    4   6 1
            40    4   7 1 #Down
            41   55  63 2
            42    5   8 1
            43    6  10 1
            44    5  56 1 #Down
            45   56   2 1
            46    3   9 1 #Up
            47    6  11 1 #Down
            48    7  12 1
            49    2  57 1
            50    8  13 1 #Up
            51    9  14 1
            52   11  15 1
            53   12  16 1
            54   12  17 2
            55   13  18 1
            56   14  19 1
            57   14  20 2
            58   57  58 2
            59   58  59 1
            60   59  60 1
            61   60  61 1
            62   61  62 1
            63   62  57 1
            64   15  21 1
            65   62  63 1 #Up
            66   15  22 2
            67   61  64 1
            68   16  63 1
            69   61  65 1
            70   55  66 1
            71   16  23 2
            72   60  66 1 #Up
            73   18  24 1
            74   60  67 1 #Down
            75   19  25 1
            76   59  68 2


entry: C10231
name: --- - Guibourtinidol-(4alpha->6)-catechin
formula: C30H26O10
kcf:
ATOM        40
            1   C1y C     9.0814   -6.7689
            2   C8y C     9.0779   -7.5999
            3   C1y C     8.3641   -6.3447
            4   C8y C     8.3538   -8.0068
            5   C8x C     9.7917   -8.0068
            6   C1y C     7.6400   -6.7585
            7   O1a O     8.3676   -5.5171
            8   O2x O     7.6365   -7.5895
            9   C8x C     8.3538   -8.8378
            10  C8x C     9.7917   -8.8378
            11  C8y C     9.0745   -9.2516
            12  O1a O     9.0745  -10.0826
            13  C8y C     6.9273   -6.3429
            14  C8x C     6.9296   -5.5102
            15  C8x C     6.2055   -6.7516
            16  C8x C     6.2158   -5.0930
            17  C8x C     5.4883   -6.3309
            18  C8y C     5.4917   -5.5033
            19  O1a O     4.7779   -5.0861
            20  C8y C     9.8020   -6.3551
            21  C8y C    10.5124   -6.7758
            22  C8y C     9.8020   -5.5275
            23  C8y C    11.2296   -6.3620
            24  O1a O    10.5055   -7.6068
            25  C8x C    10.5193   -5.1206
            26  O1a O     9.0882   -5.1137
            27  C8y C    11.2365   -5.5344
            28  C1x C    11.9400   -6.7826
            29  O2x O    11.9572   -5.1309
            30  C1y C    12.6607   -6.3758
            31  C1y C    12.6676   -5.5482
            32  O1a O    13.3745   -6.7999
            33  C8y C    13.3853   -5.1413
            34  C8x C    14.0986   -5.5654
            35  C8x C    13.3917   -4.3171
            36  C8y C    14.8227   -5.1585
            37  C8x C    14.1158   -3.9068
            38  C8y C    14.8296   -4.3309
            39  O1a O    15.5365   -5.5792
            40  O1a O    15.5538   -3.9206
BOND        45
            1    17  18 1
            2     4   8 1
            3     1  20 1 #Up
            4     4   9 1
            5     5  10 2
            6     9  11 2
            7    11  12 1
            8     6   8 1
            9    10  11 1
            10    6  13 1 #Down
            11    1   2 1
            12    1   3 1
            13    2   4 2
            14    2   5 1
            15   20  21 2
            16   20  22 1
            17   21  23 1
            18   21  24 1
            19   22  25 2
            20   22  26 1
            21   23  27 2
            22   23  28 1
            23   27  29 1
            24   28  30 1
            25   29  31 1
            26   30  32 1 #Up
            27   25  27 1
            28   30  31 1
            29    3   6 1
            30   31  33 1 #Down
            31    3   7 1 #Up
            32   13  14 2
            33   13  15 1
            34   14  16 1
            35   15  17 2
            36   16  18 2
            37   18  19 1
            38   33  34 2
            39   33  35 1
            40   34  36 1
            41   35  37 2
            42   36  38 2
            43   36  39 1
            44   38  40 1
            45   37  38 1


entry: C10232
name: --- - Isoterchebin
formula: C41H30O27
kcf:
ATOM        68
            1   C1y C     9.2612  -10.5615
            2   C1y C     9.9456  -10.1614
            3   C1y C     8.5921  -10.1614
            4   O7a O     9.2578  -11.2965
            5   C1y C     9.9456   -9.3839
            6   O7a O    10.6222  -10.5914
            7   C1y C     8.5921   -9.3839
            8   O7x O     7.3331  -10.8081
            9   C7a C     8.6894  -11.7174
            10  O2x O     9.2612   -8.9990
            11  O7a O    10.6257   -8.9990
            12  C7a C    10.6222  -11.3765
            13  C1x C     7.9216   -8.9990
            14  C7x C     7.3331  -11.6710
            15  C8y C     8.6680  -12.4645
            16  O7a O     8.0370  -11.3450
            17  C7a C    11.3031   -8.6066
            18  C8y C    11.2955  -11.7690
            19  O7a O     9.9490  -11.7690
            20  O7x O     7.3213   -9.4984
            21  C8y C     6.6557  -12.0635
            22  O7x O     7.9817  -12.0773
            23  C8x C     7.9947  -12.8666
            24  C8x C     9.3515  -12.8390
            25  C8y C    11.9723   -9.0025
            26  O7a O    11.3066   -7.8249
            27  C8x C    11.2955  -12.5568
            28  C8x C    11.9689  -11.3765
            29  C7x C     6.6440   -9.1059
            30  C8x C     6.6557  -12.8554
            31  C8y C     8.0016  -13.6510
            32  C8y C     9.3688  -13.6268
            33  C8x C    11.9723   -9.7903
            34  C8x C    12.6600   -8.6100
            35  C8y C    11.9689  -12.9561
            36  C8y C    12.6566  -11.7690
            37  C2y C     5.9707   -9.4984
            38  O7x O     6.6440   -8.3250
            39  C8y C     5.9832  -13.2550
            40  C8y C     5.2954  -12.0635
            41  C8y C     8.6963  -14.0332
            42  O1a O     7.3317  -14.0539
            43  O1a O    10.0531  -14.0015
            44  C8y C    12.6600  -10.1856
            45  C8y C    13.3333   -9.0025
            46  C8y C    12.6566  -12.5568
            47  O1a O    11.9689  -13.7336
            48  O1a O    13.3299  -11.3772
            49  C1y C     5.9707  -10.2869
            50  C2x C     5.2974   -9.1059
            51  C8y C     5.2954  -12.8554
            52  O1a O     5.9866  -14.0358
            53  O1a O     8.6783  -14.9390
            54  C8y C    13.3237   -9.7620
            55  O1a O    12.6600  -10.9671
            56  O1a O    14.0149   -8.6100
            57  O1a O    13.3333  -12.9458
            58  C1z C     5.2974  -10.6899
            59  C5x C     4.6139   -9.4984
            60  O1a O     4.6222  -13.2446
            61  O1a O    14.0183  -10.1718
            62  C1z C     4.6139  -10.2869
            63  C8y C     5.9833  -11.6745
            64  O1a O     5.3001  -11.4899
            65  O1a O     4.5563  -11.0770
            66  O5x O     3.9206   -9.0978
            67  O2x O     3.5484  -11.3226
            68  O1a O     3.8316   -9.9446
BOND        75
            1     3   7 1
            2     3   8 1 #Down
            3     4   9 1
            4     5  10 1
            5     5  11 1 #Up
            6     6  12 1
            7     7  13 1 #Up
            8     8  14 1
            9     9  15 1
            10    9  16 2
            11   11  17 1
            12   12  18 1
            13   12  19 2
            14   13  20 1
            15   14  21 1
            16   14  22 2
            17   15  23 1
            18   15  24 2
            19   17  25 1
            20   17  26 2
            21   18  27 1
            22   18  28 2
            23   20  29 1
            24   21  30 1
            25   21  63 2
            26   23  31 2
            27   24  32 1
            28   25  33 2
            29   25  34 1
            30   27  35 2
            31   28  36 1
            32   29  37 1
            33   29  38 2
            34   30  39 2
            35   63  40 1
            36   31  41 1
            37   31  42 1
            38   32  43 1
            39   33  44 1
            40   34  45 2
            41   35  46 1
            42   35  47 1
            43   36  48 1
            44   37  49 1
            45   37  50 2
            46   39  51 1
            47   39  52 1
            48   41  53 1
            49   44  54 2
            50   44  55 1
            51   45  56 1
            52   46  57 1
            53   49  58 1
            54   50  59 1
            55   51  60 1
            56   54  61 1
            57   58  62 1
            58    7  10 1
            59   32  41 2
            60   36  46 2
            61   40  51 2
            62   45  54 1
            63   59  62 1
            64   49  63 1 #Down
            65    1   2 1
            66   58  64 1
            67    1   3 1
            68   58  65 1
            69   40  67 1
            70    1   4 1 #Up
            71   59  66 2
            72    2   5 1
            73   62  67 1 #Down
            74    2   6 1 #Down
            75   62  68 1 #Up


entry: C10233
name: --- - Kandelin A-1 - Cinchonain-1a-(4beta->8)-catechin
formula: C39H32O15
kcf:
ATOM        54
            1   C8y C     6.6603   -6.1586
            2   C8y C     6.6569   -6.9828
            3   C8y C     5.9466   -5.7483
            4   O2x O     7.3776   -5.7414
            5   C1y C     7.3741   -7.4000
            6   C8y C     5.9431   -7.3966
            7   C1y C     5.9500   -4.9241
            8   C8y C     5.2293   -6.1552
            9   C1y C     8.0948   -6.1552
            10  C1y C     8.0948   -6.9828
            11  C8x C     5.2259   -6.9793
            12  C1x C     5.2397   -4.5069
            13  O7x O     4.5155   -5.7414
            14  O1a O     8.8121   -7.4034
            15  C7x C     4.5224   -4.9172
            16  O7x O     3.8086   -4.4931
            17  C8y C     6.6669   -4.5157
            18  C8x C     6.6776   -3.6862
            19  C8x C     7.3879   -4.9345
            20  C8y C     7.3983   -3.2759
            21  C8x C     8.1086   -4.5241
            22  C8y C     8.1121   -3.6931
            23  O1a O     7.4017   -2.4517
            24  O1a O     8.8362   -3.2862
            25  C8y C     8.8092   -5.7426
            26  C8x C     9.5293   -6.1586
            27  C8x C     8.8121   -4.9172
            28  C8y C    10.2431   -5.7483
            29  C8x C     9.5328   -4.5000
            30  C8y C    10.2466   -4.9172
            31  O1a O    10.9638   -6.1586
            32  O1a O    10.9638   -4.5034
            33  C8y C     7.3732   -8.2250
            34  C8y C     8.0914   -8.6414
            35  C8y C     6.6534   -8.6414
            36  C8y C     8.0879   -9.4690
            37  O2x O     8.8121   -8.2310
            38  C8x C     6.6534   -9.4690
            39  C1x C     8.8052   -9.8897
            40  C8y C     7.3741   -9.8862
            41  C1y C     9.5259   -8.6483
            42  C1y C     9.5224   -9.4759
            43  O1a O     7.3776  -10.7172
            44  O1a O    10.2362   -9.8966
            45  C8y C    10.2424   -8.2392
            46  C8x C    10.9569   -8.6552
            47  C8x C    10.2466   -7.4103
            48  C8y C    11.6776   -8.2448
            49  C8x C    10.9638   -6.9966
            50  C8y C    11.6810   -7.4172
            51  O1a O    12.3948   -8.6621
            52  O1a O    12.4017   -7.0034
            53  O1a O     5.9388   -8.2292
            54  O1a O     5.2250   -7.8042
BOND        61
            1     9  25 1 #Down
            2     5  10 1
            3     6  11 2
            4     7  12 1
            5     8  13 1
            6    10  14 1 #Down
            7    12  15 1
            8    25  26 2
            9    25  27 1
            10   26  28 1
            11   27  29 2
            12   28  30 2
            13   28  31 1
            14   30  32 1
            15   29  30 1
            16   15  16 2
            17    5  33 1 #Up
            18    8  11 1
            19    9  10 1
            20   13  15 1
            21    7  17 1 #Down
            22    1   2 2
            23    1   3 1
            24    1   4 1
            25    2   5 1
            26    2   6 1
            27    3   7 1
            28    3   8 2
            29   33  34 1
            30   33  35 2
            31   34  36 2
            32   34  37 1
            33   35  38 1
            34   36  39 1
            35   36  40 1
            36   37  41 1
            37   39  42 1
            38   40  43 1
            39   42  44 1 #Up
            40   38  40 2
            41   41  42 1
            42   17  18 1
            43   41  45 1 #Down
            44   17  19 2
            45   18  20 2
            46   19  21 1
            47   20  22 1
            48   20  23 1
            49   22  24 1
            50   21  22 2
            51   45  46 2
            52   45  47 1
            53   46  48 1
            54   47  49 2
            55   48  50 2
            56   48  51 1
            57   50  52 1
            58   49  50 1
            59   35  53 1
            60    4   9 1
            61    6  54 1


entry: C10234
name: --- - Mahuannin D - ent-Apigeniflavan-(2alpha->7,4alpha->8)-epiafzelechin
formula: C30H24O9
kcf:
ATOM        39
            1   C1z C    10.5259   -5.1480
            2   C1x C    10.5259   -5.9763
            3   O2x O    11.2473   -5.5617
            4   C8y C    11.2439   -4.7266
            5   O2x O     9.8086   -4.7301
            6   C1y C     9.8121   -6.3935
            7   C8y C    11.2473   -6.3901
            8   C8x C    11.9652   -5.1376
            9   C8x C    11.2370   -3.8948
            10  C8y C     9.0906   -5.1514
            11  C8y C    10.5293   -6.8046
            12  C8y C     9.0906   -5.9797
            13  C8x C    11.9618   -6.8081
            14  C8x C    12.6797   -4.7163
            15  C8x C    11.9549   -3.4810
            16  C8x C     8.3727   -4.7335
            17  C8y C    10.5293   -7.6329
            18  C8y C     8.3727   -6.3935
            19  C8y C    11.9618   -7.6329
            20  C8y C    12.6763   -3.8879
            21  C8y C     7.6547   -5.1514
            22  C8y C    11.2439   -8.0432
            23  O2x O     9.8155   -8.0432
            24  C8x C     7.6547   -5.9797
            25  O1a O     8.3727   -7.2219
            26  O1a O    12.6797   -8.0467
            27  O1a O    13.3943   -3.4707
            28  O1a O     6.9367   -4.7335
            29  C1x C    11.2473   -8.8750
            30  C1y C     9.8155   -8.8716
            31  C1y C    10.5293   -9.2895
            32  O1a O    10.5259  -10.1178
            33  C8y C     9.0975   -9.2895
            34  C8x C     9.0975  -10.1178
            35  C8x C     8.3796   -8.8716
            36  C8x C     8.3796  -10.5281
            37  C8x C     7.6582   -9.2895
            38  C8y C     7.6582  -10.1178
            39  O1a O     6.9402  -10.5316
BOND        45
            1     4   8 2
            2     4   9 1
            3     5  10 1
            4     6  11 1
            5     6  12 1
            6     7  13 1
            7     8  14 1
            8     9  15 2
            9    10  16 1
            10   11  17 1
            11   12  18 1
            12   13  19 2
            13   14  20 2
            14   16  21 2
            15   17  22 2
            16   17  23 1
            17   18  24 2
            18   18  25 1
            19   19  26 1
            20   20  27 1
            21   21  28 1
            22   22  29 1
            23   23  30 1
            24   29  31 1
            25   31  32 1 #Up
            26    7  11 2
            27   10  12 2
            28   15  20 1
            29   19  22 1
            30   21  24 1
            31   30  31 1
            32   30  33 1 #Up
            33    1   2 1 #Up
            34    1   3 1
            35    1   4 1
            36    1   5 1
            37    6   2 1 #Up
            38    3   7 1
            39   33  34 2
            40   33  35 1
            41   34  36 1
            42   35  37 2
            43   36  38 2
            44   38  39 1
            45   37  38 1


entry: C10235
name: --- - Mallotusinic acid
formula: C48H32O32
kcf:
ATOM        80
            1   O7x O     5.5862   -6.8237
            2   C7x C     4.8049   -6.8237
            3   C1y C     5.3279   -5.3741
            4   C1y C     5.9665   -4.9988
            5   C1y C     4.6921   -4.9988
            6   C1y C     5.9665   -4.2588
            7   O7x O     6.6098   -5.3998
            8   C1y C     4.6921   -4.2588
            9   O7x O     5.3249   -6.1413
            10  O2x O     5.3279   -3.8989
            11  O7a O     6.6133   -3.8989
            12  C7x C     6.6098   -6.1430
            13  C1x C     4.0590   -3.8989
            14  C7x C     3.6831   -6.7710
            15  C7a C     7.2531   -3.5357
            16  C8y C     7.2455   -6.5106
            17  O7x O     5.9699   -6.5106
            18  O7x O     3.4922   -4.3776
            19  C8y C     2.8724   -6.7886
            20  O7x O     3.8484   -7.3564
            21  C8y C     7.8890   -3.9024
            22  O7a O     7.2566   -2.7999
            23  C8x C     7.8856   -6.1430
            24  C7x C     2.8607   -3.9976
            25  C8x C     2.8724   -7.5346
            26  C8y C     2.2333   -6.4210
            27  C8x C     7.8890   -4.6486
            28  C8x C     8.5350   -3.5391
            29  C8y C     8.5316   -6.5106
            30  C8y C     2.2208   -4.3776
            31  O7x O     2.8607   -3.2625
            32  C8y C     2.2333   -7.9175
            33  C8y C     1.5829   -6.7886
            34  C8y C     8.5350   -5.0189
            35  C8y C     9.1708   -3.9024
            36  C8y C     8.5316   -7.2569
            37  O1a O     9.1674   -6.1396
            38  C8y C     2.2208   -5.1161
            39  C8x C     1.5807   -3.9976
            40  C8y C     1.5829   -7.5346
            41  O1a O     2.2367   -8.6524
            42  O1a O     0.9430   -6.4210
            43  C8y C     9.1570   -4.6203
            44  O1a O     8.5350   -5.7587
            45  O1a O     9.8108   -3.5391
            46  O1a O     9.1708   -7.6208
            47  C8y C     1.5807   -5.4982
            48  C8y C     0.9347   -4.3776
            49  O1a O     0.9430   -7.9030
            50  O1a O     9.8142   -5.0051
            51  C8y C     0.9347   -5.1161
            52  O1a O     1.5599   -6.1171
            53  O2a O     0.3031   -3.9942
            54  O1a O     0.2997   -5.4878
            55  C8y C     7.8856   -7.6311
            56  O7x O     4.0210   -5.3781
            57  C2y C     4.8078   -7.5969
            58  C2x C     4.1359   -7.9903
            59  C5x C     4.1388   -8.7676
            60  C1z C     4.8126   -9.1475
            61  C1z C     5.4876   -8.7626
            62  C1y C     5.4847   -7.9853
            63  C8y C     7.2512   -7.2565
            64  O1a O     6.1369   -8.0934
            65  O1a O     6.4149   -8.7727
            66  O2x O     7.8864   -9.5642
            67  O1a O     4.8223   -9.9651
            68  O5x O     3.4551   -9.1577
            69  C8y C     0.3126   -3.2565
            70  C8y C     0.9518   -2.8950
            71  C8y C     0.9613   -2.1572
            72  C8y C     0.3297   -1.7738
            73  C8x C    -0.3157   -2.1407
            74  C8y C    -0.3252   -2.8785
            75  O1a O     0.3392   -1.0403
            76  C6a C    -0.9742   -3.2421
            77  O1a O     1.5898   -3.2731
            78  O1a O     1.6108   -1.7904
            79  O6a O    -1.6105   -2.8637
            80  O6a O    -0.9828   -3.9797
BOND        89
            1    29  37 1
            2    30  38 1
            3    30  39 2
            4    32  40 1
            5    32  41 1
            6    33  42 1
            7    34  43 2
            8    34  44 1
            9    35  45 1
            10   36  46 1
            11   38  47 2
            12   39  48 1
            13   40  49 1
            14   43  50 1
            15   47  51 1
            16   47  52 1
            17   48  53 1
            18   51  54 1
            19    8  10 1
            20   29  36 2
            21   33  40 2
            22   35  43 1
            23   48  51 2
            24   38  26 1
            25    1   2 2
            26    3   4 1
            27    3   5 1
            28    4   6 1
            29    4   7 1 #Down
            30   55  63 2
            31    5   8 1
            32    6  10 1
            33    5  56 1 #Down
            34   56   2 1
            35    3   9 1 #Up
            36    6  11 1 #Up
            37    7  12 1
            38    2  57 1
            39    8  13 1 #Up
            40    9  14 1
            41   11  15 1
            42   12  16 1
            43   12  17 2
            44   13  18 1
            45   14  19 1
            46   14  20 2
            47   57  58 2
            48   58  59 1
            49   59  60 1
            50   60  61 1
            51   61  62 1
            52   62  57 1
            53   15  21 1
            54   62  63 1 #Up
            55   15  22 2
            56   61  64 1
            57   16  63 1
            58   61  65 1
            59   55  66 1
            60   16  23 2
            61   60  66 1 #Up
            62   18  24 1
            63   60  67 1 #Down
            64   19  25 1
            65   59  68 2
            66   53  69 1
            67   19  26 2
            68   21  27 2
            69   21  28 1
            70   23  29 1
            71   24  30 1
            72   69  70 2
            73   70  71 1
            74   71  72 2
            75   72  73 1
            76   73  74 2
            77   74  69 1
            78   24  31 2
            79   72  75 1
            80   25  32 2
            81   74  76 1
            82   26  33 1
            83   70  77 1
            84   27  34 1
            85   71  78 1
            86   28  35 2
            87   76  79 1
            88   55  36 1
            89   76  80 2


entry: C10236
name: --- - Pedunculagin
formula: C34H24O22
kcf:
ATOM        56
            1   C1y C     9.8445   -9.2698
            2   C1y C    10.5331   -8.8697
            3   C1y C     9.1713   -8.8697
            4   O7x O     9.8411  -10.0091
            5   C1y C    10.5331   -8.0880
            6   O7x O    11.2139   -9.2997
            7   C1y C     9.1713   -8.0880
            8   O7x O     7.9082   -9.5122
            9   C7x C     9.2727  -10.4299
            10  O2x O     9.8445   -7.6990
            11  C7x C    11.2139  -10.0890
            12  C1x C     8.5007   -7.6990
            13  C7x C     7.9082  -10.3835
            14  C8y C     9.2513  -11.1770
            15  O7x O     8.6161  -10.0534
            16  C8y C    11.8914  -10.4815
            17  O7x O    10.5365  -10.4815
            18  O7x O     7.8964   -8.1984
            19  C8y C     7.2307  -10.7760
            20  O7x O     8.5650  -10.7940
            21  C8x C     8.5780  -11.5833
            22  C8y C     9.9390  -11.5557
            23  C8y C    11.8914  -11.2735
            24  C8x C    12.5688  -10.0890
            25  C7x C     7.2190   -7.8059
            26  C8x C     7.2307  -11.5721
            27  C8y C     6.5499  -10.3835
            28  C8y C     8.5849  -12.3719
            29  C8y C     9.9563  -12.3477
            30  C8y C    12.5688  -11.6728
            31  C8y C    13.2566  -10.4815
            32  C8y C     6.5374   -8.1984
            33  O7x O     7.2190   -7.0208
            34  C8y C     6.5499  -11.9716
            35  C8y C     5.8621  -10.7760
            36  C8y C     9.2796  -12.7540
            37  O1a O     7.9068  -12.7747
            38  O1a O    10.6448  -12.7223
            39  C8y C    13.2566  -11.2735
            40  O1a O    12.5688  -12.4545
            41  O1a O    13.9382  -10.0856
            42  C8y C     6.5374   -8.9911
            43  C8x C     5.8641   -7.8059
            44  C8y C     5.8621  -11.5721
            45  O1a O     6.5533  -12.7566
            46  O1a O     5.1846  -10.3835
            47  O1a O     9.2616  -13.6640
            48  O1a O    13.9416  -11.6625
            49  C8y C     5.8641   -9.3940
            50  C8y C     5.1763   -8.1984
            51  O1a O     5.1846  -11.9612
            52  C8y C     5.1763   -8.9911
            53  O1a O     5.8641  -10.1797
            54  O1a O     4.4947   -7.8025
            55  O1a O     4.4913   -9.3836
            56  O1a O    11.2377   -7.6771
BOND        62
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1 #Up
            12    8  13 1
            13    9  14 1
            14    9  15 2
            15   11  16 1
            16   11  17 2
            17   12  18 1
            18   13  19 1
            19   13  20 2
            20   14  21 1
            21   14  22 2
            22   16  23 1
            23   16  24 2
            24   18  25 1
            25   19  26 1
            26   19  27 2
            27   21  28 2
            28   22  29 1
            29   23  30 2
            30   24  31 1
            31   25  32 1
            32   25  33 2
            33   26  34 2
            34   27  35 1
            35   28  36 1
            36   28  37 1
            37   29  38 1
            38   30  39 1
            39   30  40 1
            40   31  41 1
            41   32  42 1
            42   32  43 2
            43   34  44 1
            44   34  45 1
            45   35  46 1
            46   36  47 1
            47   39  48 1
            48   42  49 2
            49   43  50 1
            50   44  51 1
            51   49  52 1
            52   49  53 1
            53   50  54 1
            54   52  55 1
            55    7  10 1
            56   29  36 2
            57   31  39 2
            58   35  44 2
            59   50  52 2
            60   42  27 1
            61   22  23 1
            62    5  56 1 #Either


entry: C10237
name: --- - Proanthocyanidin A2 - Epicatechin-(2beta->7,4beta->8)-epicatechin
formula: C30H24O12
kcf:
ATOM        42
            1   C1z C    10.5362   -5.1555
            2   C1y C    10.5328   -5.9831
            3   C8y C    11.2569   -4.7417
            4   O2x O    11.2500   -5.5658
            5   O2x O     9.8259   -4.7348
            6   C1y C     9.8190   -6.3934
            7   O1a O     9.8121   -5.5658
            8   C8x C    11.9707   -5.1624
            9   C8x C    11.2603   -3.9141
            10  C8y C    11.2466   -6.3934
            11  C8y C     9.1052   -5.1486
            12  C8y C    10.5259   -6.8072
            13  C8y C     9.1017   -5.9762
            14  C8y C    12.6914   -4.7486
            15  C8x C    11.9776   -3.5038
            16  C8x C    11.9638   -6.8141
            17  C8x C     8.3879   -4.7314
            18  C8y C    10.5259   -7.6348
            19  C8y C     8.3879   -6.3900
            20  C8y C    12.6948   -3.9210
            21  O1a O    13.4086   -5.1693
            22  C8y C    11.9569   -7.6451
            23  C8y C     7.6672   -5.1486
            24  C8y C    11.2362   -8.0520
            25  O2x O     9.8121   -8.0383
            26  C8x C     7.6672   -5.9762
            27  O1a O     8.3914   -7.2176
            28  O1a O    13.4155   -3.5107
            29  O1a O    12.6741   -8.0589
            30  O1a O     6.9500   -4.7314
            31  C1x C    11.2293   -8.8762
            32  C1y C     9.8017   -8.8624
            33  C1y C    10.5086   -9.2831
            34  O1a O    10.5017  -10.1141
            35  C8y C     9.0810   -9.2727
            36  C8x C     8.3672   -8.8486
            37  C8x C     9.0741  -10.1003
            38  C8y C     7.6465   -9.2555
            39  C8x C     8.3500  -10.5038
            40  C8y C     7.6362  -10.0865
            41  O1a O     6.9328   -8.8314
            42  O1a O     6.9121  -10.4900
BOND        48
            1     3   9 1
            2     4  10 1
            3     5  11 1
            4     6  12 1 #Up
            5     6  13 1
            6     8  14 1
            7     9  15 2
            8    10  16 1
            9    11  17 1
            10   12  18 1
            11   13  19 1
            12   14  20 2
            13   14  21 1
            14   16  22 2
            15   17  23 2
            16   18  24 2
            17   18  25 1
            18   19  26 2
            19   19  27 1
            20   20  28 1
            21   22  29 1
            22   23  30 1
            23   24  31 1
            24   25  32 1
            25   31  33 1
            26   33  34 1 #Up
            27   10  12 2
            28   11  13 2
            29   15  20 1
            30   22  24 1
            31   23  26 1
            32   32  33 1
            33   32  35 1 #Up
            34    1   2 1
            35    1   3 1
            36    1   4 1 #Up
            37    1   5 1
            38    2   6 1
            39    2   7 1 #Down
            40    3   8 2
            41   35  36 1
            42   35  37 2
            43   36  38 2
            44   37  39 1
            45   38  40 1
            46   38  41 1
            47   40  42 1
            48   39  40 2


entry: C10238
name: --- - Procyanidin B4 - Catechin-(4alpha->8)-epicatechin
formula: C30H26O12
kcf:
ATOM        42
            1   C1y C     6.6000   -6.7725
            2   C8y C     5.8897   -6.3518
            3   C1y C     7.3207   -6.3656
            4   C8y C     5.8965   -5.5277
            5   C8y C     5.1690   -6.7656
            6   C1y C     7.3276   -5.5415
            7   O1a O     8.0310   -6.7898
            8   O2x O     6.6172   -5.1243
            9   C8x C     5.1828   -5.1070
            10  C8x C     4.4517   -6.3449
            11  C8y C     4.4586   -5.5139
            12  O1a O     3.7448   -5.0967
            13  C8y C     8.0453   -5.1347
            14  C8x C     8.7552   -5.5553
            15  C8x C     8.0483   -4.3070
            16  C8y C     9.4793   -5.1484
            17  C8x C     8.7724   -3.8967
            18  C8y C     9.4862   -4.3208
            19  O1a O    10.1931   -5.5691
            20  O1a O    10.2103   -3.9105
            21  C8y C     6.6034   -7.6070
            22  C8y C     7.3172   -8.0139
            23  C8y C     5.8793   -8.0139
            24  C8y C     7.3138   -8.8449
            25  O2x O     8.0345   -7.6070
            26  C8x C     5.8793   -8.8449
            27  C1x C     8.0276   -9.2622
            28  C8y C     6.6000   -9.2622
            29  C1y C     8.7517   -8.0208
            30  C1y C     8.7483   -8.8518
            31  O1a O     6.6034  -10.0898
            32  O1a O     9.4621   -9.2691
            33  C8y C     9.4690   -7.6139
            34  C8x C    10.1862   -8.0277
            35  C8x C     9.4724   -6.7829
            36  C8y C    10.9069   -7.6208
            37  C8x C    10.1931   -6.3725
            38  C8y C    10.9103   -6.7898
            39  O1a O    11.6241   -8.0346
            40  O1a O    11.6310   -6.3760
            41  O1a O     5.1672   -7.5972
            42  O1a O     4.4500   -7.1708
BOND        47
            1    18  20 1
            2    17  18 1
            3     4   9 1
            4     1  21 1 #Down
            5     5  10 2
            6     9  11 2
            7    11  12 1
            8     6   8 1
            9    10  11 1
            10    6  13 1 #Down
            11    1   2 1
            12    1   3 1
            13    2   4 2
            14    2   5 1
            15   21  22 1
            16   21  23 2
            17   22  24 2
            18   22  25 1
            19   23  26 1
            20   24  27 1
            21   24  28 1
            22   25  29 1
            23   27  30 1
            24   28  31 1
            25   30  32 1 #Down
            26   26  28 2
            27   29  30 1
            28    3   6 1
            29   29  33 1 #Down
            30    3   7 1 #Up
            31    4   8 1
            32   13  14 2
            33   13  15 1
            34   14  16 1
            35   15  17 2
            36   16  18 2
            37   33  34 2
            38   33  35 1
            39   34  36 1
            40   35  37 2
            41   36  38 2
            42   36  39 1
            43   38  40 1
            44   37  38 1
            45   23  41 1
            46   16  19 1
            47    5  42 1


entry: C10239
name: --- - Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
formula: C45H38O18
kcf:
ATOM        63
            1   C1y C     9.0819   -8.4385
            2   C8y C     9.0784   -9.2695
            3   C1y C     8.3647   -8.0178
            4   C8y C     8.3578   -9.6764
            5   C8x C     9.7922   -9.6764
            6   C1y C     7.6440   -8.4281
            7   O1a O     8.3715   -7.1867
            8   O2x O     7.6371   -9.2592
            9   C8x C     8.3578  -10.5074
            10  C8x C     9.7922  -10.5074
            11  C8y C     9.0750  -10.9247
            12  O1a O     9.0784  -11.7523
            13  C8y C     6.9267   -8.0109
            14  C8x C     6.9336   -7.1799
            15  C8x C     6.2060   -8.4212
            16  C8y C     6.2164   -6.7661
            17  C8y C     5.4922   -8.0005
            18  C8y C     5.4957   -7.1730
            19  O1a O     6.2233   -5.9350
            20  O1a O     4.7681   -8.4143
            21  O1a O     4.7784   -6.7557
            22  C8y C     9.7987   -8.0300
            23  C1y C    10.5233   -5.9626
            24  C8y C     9.8129   -5.5419
            25  C1y C    11.2474   -5.5488
            26  C8y C     9.8198   -4.7143
            27  C8x C     9.0922   -5.9488
            28  C1y C    11.2509   -4.7212
            29  O1a O    11.9612   -5.9730
            30  O2x O    10.5336   -4.3040
            31  C8x C     9.1095   -4.2971
            32  C8x C     8.3784   -5.5281
            33  C8y C     8.3888   -4.7005
            34  O1a O     7.6750   -4.2798
            35  C8y C    11.9669   -4.3114
            36  C8x C    12.6853   -4.7316
            37  C8x C    11.9716   -3.4867
            38  C8y C    13.4060   -4.3247
            39  C8y C    12.6957   -3.0730
            40  C8y C    13.4095   -3.4936
            41  O1a O    14.1198   -4.7419
            42  O1a O    12.6991   -2.2462
            43  O1a O    14.1302   -3.0833
            44  C8y C    10.5233   -6.7902
            45  C8y C    11.2405   -7.2074
            46  C8y C     9.8060   -7.1971
            47  C8y C    11.2302   -8.0316
            48  O2x O    11.9578   -6.8040
            49  O1a O     9.0888   -6.7799
            50  C8y C    10.5129   -8.4488
            51  C1x C    11.9405   -8.4523
            52  C1y C    12.6681   -7.2212
            53  O1a O    10.5095   -9.2764
            54  C1y C    12.6612   -8.0454
            55  O1a O    13.3750   -8.4695
            56  C8y C    13.3858   -6.8144
            57  C8x C    14.1026   -7.2350
            58  C8x C    13.3957   -5.9867
            59  C8y C    14.8233   -6.8281
            60  C8x C    14.1164   -5.5764
            61  C8y C    14.8336   -6.0005
            62  O1a O    15.5371   -7.2488
            63  O1a O    15.5543   -5.5902
BOND        71
            1    25  28 1
            2    25  29 1 #Up
            3    26  30 1
            4    26  31 1
            5    27  32 2
            6    31  33 2
            7    33  34 1
            8    28  30 1
            9    32  33 1
            10    4   8 1
            11   28  35 1 #Down
            12    4   9 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   16  19 1
            19   17  20 1
            20   35  36 2
            21   35  37 1
            22   36  38 1
            23   37  39 2
            24   38  40 2
            25   38  41 1
            26   39  42 1
            27   40  43 1
            28   39  40 1
            29   18  21 1
            30   23  44 1 #Down
            31   17  18 1
            32    5  10 2
            33    1  22 1 #Down
            34    9  11 2
            35   11  12 1
            36    6   8 1
            37   10  11 1
            38    6  13 1 #Down
            39    1   2 1
            40    1   3 1
            41   44  45 1
            42   44  46 2
            43   45  47 2
            44   45  48 1
            45   46  22 1
            46   46  49 1
            47   47  50 1
            48   47  51 1
            49   48  52 1
            50   50  53 1
            51   51  54 1
            52   54  55 1 #Up
            53   22  50 2
            54   52  54 1
            55    2   4 2
            56   52  56 1 #Down
            57    2   5 1
            58    3   6 1
            59    3   7 1 #Up
            60   23  24 1
            61   23  25 1
            62   24  26 2
            63   24  27 1
            64   56  57 2
            65   56  58 1
            66   57  59 1
            67   58  60 2
            68   59  61 2
            69   59  62 1
            70   61  63 1
            71   60  61 1


entry: C10240
name: --- - Rugosin D
formula: C82H58O52
kcf:
ATOM        134
            1   C1y C     3.3696   -4.3447
            2   C1y C     4.0538   -3.9447
            3   C1y C     2.6963   -3.9447
            4   O7a O     3.3662   -5.0841
            5   C1y C     4.0538   -3.1630
            6   O7a O     4.7390   -4.3705
            7   C1y C     2.6963   -3.1630
            8   O7x O     1.4331   -4.5872
            9   C7a C     2.7977   -5.5091
            10  O2x O     3.3696   -2.7740
            11  C7a C     4.7390   -5.1640
            12  C1x C     2.0257   -2.7740
            13  C7x C     1.4331   -5.4627
            14  C8y C     2.7763   -6.2519
            15  O7a O     2.1453   -5.1284
            16  C8y C     5.4164   -5.5565
            17  O7a O     4.0572   -5.5565
            18  O7x O     1.4213   -3.2734
            19  C8y C     0.7516   -5.8552
            20  O7x O     2.0900   -5.8691
            21  C8x C     2.1030   -6.6583
            22  C8x C     3.4682   -6.6307
            23  C8x C     5.4164   -6.3526
            24  C8x C     6.0938   -5.1640
            25  C7x C     0.7399   -2.8810
            26  C8x C     0.7516   -6.6471
            27  C8y C     0.0748   -5.4627
            28  C8y C     2.1099   -7.4469
            29  C8y C     3.4855   -7.4227
            30  C8y C     6.0938   -6.7477
            31  C8y C     6.7858   -5.5565
            32  C8y C     0.0623   -3.2734
            33  O7x O     0.7399   -2.0958
            34  C8y C     0.0748   -7.0466
            35  C8y C    -0.6129   -5.8552
            36  C8y C     2.8046   -7.8332
            37  O1a O     1.4317   -7.8539
            38  O1a O     4.1656   -7.8015
            39  C8y C     6.7858   -6.3526
            40  O1a O     6.0938   -7.5337
            41  O1a O     7.4632   -5.1606
            42  C8y C     0.0623   -4.0661
            43  C8x C    -0.6109   -2.8810
            44  C8y C    -0.6129   -6.6471
            45  O1a O     0.0824   -7.8358
            46  O1a O    -1.2945   -5.4627
            47  O1a O     2.7866   -8.7431
            48  O1a O     7.4666   -6.7374
            49  C8y C    -0.6109   -4.4732
            50  C8y C    -1.3028   -3.2734
            51  O1a O    -1.2945   -7.0362
            52  C8y C    -1.3028   -4.0661
            53  O1a O    -0.6109   -5.2547
            54  O1a O    -1.9803   -2.8776
            55  O1a O    -1.9837   -4.4628
            56  O7a O     4.7627   -2.7521
            57  C7a C     5.4745   -3.1578
            58  C8y C     6.1791   -2.7469
            59  O7a O     5.4776   -3.9744
            60  C8y C     6.8836   -3.1559
            61  C8y C     7.5924   -2.7451
            62  C8y C     7.5893   -1.9283
            63  C8y C     6.8775   -1.5184
            64  C8x C     6.1770   -1.9335
            65  O1a O     6.8745   -0.7018
            66  O1a O     8.2940   -1.5132
            67  O1a O     8.3001   -3.1507
            68  C1y C    13.3487   -5.8865
            69  C1y C    14.0664   -5.4697
            70  C1y C    12.6504   -5.4697
            71  O7a O    13.3453   -6.6508
            72  C1y C    14.0664   -4.6547
            73  O7a O    14.7723   -5.9164
            74  C1y C    12.6504   -4.6547
            75  O7x O    11.3331   -6.1415
            76  C7a C    12.7560   -7.0966
            77  O2x O    13.3487   -4.2490
            78  O7a O    14.7758   -4.2490
            79  C7a C    14.7723   -6.7390
            80  C1x C    11.9508   -4.2490
            81  C7x C    11.3331   -7.0460
            82  C8y C    12.7304   -7.8729
            83  O7a O    12.0704   -6.7034
            84  C7a C    15.4864   -3.8400
            85  C8y C    15.4788   -7.1482
            86  O7a O    14.0698   -7.1482
            87  O7x O    11.3213   -4.7734
            88  C8y C    10.6223   -7.4510
            89  O7x O    12.0151   -7.4690
            90  C8x C    12.0281   -8.2916
            91  C8x C    13.4474   -8.2640
            92  C8y C    16.1889   -4.2525
            93  O7a O    15.4899   -3.0249
            94  C8x C    15.4788   -7.9735
            95  C8x C    16.1855   -6.7390
            96  C7x C    10.6106   -4.3601
            97  C8x C    10.6223   -8.2804
            98  C8y C     9.9207   -7.0460
            99  C8y C    12.0350   -9.1136
            100 C8y C    13.4647   -9.0894
            101 C8x C    16.1889   -5.0778
            102 C8x C    16.9101   -3.8434
            103 C8y C    16.1855   -8.3895
            104 C8y C    16.9067   -7.1482
            105 C8y C     9.9082   -4.7734
            106 O7x O    10.6106   -3.5417
            107 C8y C     9.9207   -8.7009
            108 C8y C     9.1996   -7.4510
            109 C8y C    12.7629   -9.5165
            110 O1a O    11.3317   -9.5372
            111 O1a O    14.1781   -9.4848
            112 C8y C    16.9101   -5.4939
            113 C8y C    17.6124   -4.2525
            114 C8y C    16.9067   -7.9735
            115 O1a O    16.1855   -9.2045
            116 O1a O    17.6090   -6.7356
            117 C8y C     9.9082   -5.5994
            118 C8x C     9.2016   -4.3601
            119 C8y C     9.1996   -8.2804
            120 O1a O     9.9241   -9.5191
            121 O1a O     8.4972   -7.0460
            122 O1a O    12.7449  -10.4640
            123 C8y C    17.5986   -5.0495
            124 O1a O    16.9101   -6.3130
            125 O1a O    18.3191   -3.8434
            126 O1a O    17.6124   -8.3792
            127 C8y C     9.2016   -6.0149
            128 C8y C     8.4889   -4.7734
            129 O1a O     8.4972   -8.6905
            130 O1a O    18.3225   -5.4801
            131 C8y C     8.4889   -5.5994
            132 O1a O     9.2016   -6.8297
            133 O1a O     7.7746   -6.0045
            134 O2a O     7.7622   -4.3519
BOND        147
            1    23  30 2
            2    24  31 1
            3    25  32 1
            4    25  33 2
            5    26  34 2
            6    27  35 1
            7    28  36 1
            8    28  37 1
            9    29  38 1
            10   30  39 1
            11   30  40 1
            12   31  41 1
            13   32  42 1
            14   32  43 2
            15   34  44 1
            16   34  45 1
            17   35  46 1
            18   36  47 1
            19   39  48 1
            20   42  49 2
            21   43  50 1
            22   44  51 1
            23   49  52 1
            24   49  53 1
            25   50  54 1
            26   52  55 1
            27    7  10 1
            28   29  36 2
            29   31  39 2
            30   35  44 2
            31   50  52 2
            32   42  27 1
            33    5  56 1 #Up
            34   56  57 1
            35   57  58 1
            36   57  59 2
            37   58  60 2
            38   60  61 1
            39   61  62 2
            40   62  63 1
            41   63  64 2
            42   64  58 1
            43   63  65 1
            44   62  66 1
            45   61  67 1
            46    1   2 1
            47    1   3 1
            48    1   4 1 #Up
            49    2   5 1
            50    2   6 1 #Down
            51    3   7 1
            52    3   8 1 #Down
            53    4   9 1
            54    5  10 1
            55    6  11 1
            56    7  12 1 #Up
            57    8  13 1
            58    9  14 1
            59    9  15 2
            60   11  16 1
            61   11  17 2
            62   12  18 1
            63   13  19 1
            64   13  20 2
            65   14  21 1
            66   14  22 2
            67   16  23 1
            68   16  24 2
            69   18  25 1
            70   19  26 1
            71   19  27 2
            72   21  28 2
            73   74  77 1
            74  100 109 2
            75  104 114 2
            76  108 119 2
            77  113 123 1
            78  128 131 2
            79  117  98 1
            80   68  69 1
            81   68  70 1
            82   68  71 1 #Up
            83   69  72 1
            84   69  73 1 #Down
            85   70  74 1
            86   70  75 1 #Down
            87   71  76 1
            88   72  77 1
            89   72  78 1 #Up
            90   73  79 1
            91   74  80 1 #Up
            92   75  81 1
            93   76  82 1
            94   76  83 2
            95   78  84 1
            96   79  85 1
            97   79  86 2
            98   80  87 1
            99   81  88 1
            100  81  89 2
            101  82  90 1
            102  82  91 2
            103  84  92 1
            104  84  93 2
            105  85  94 1
            106  85  95 2
            107  87  96 1
            108  88  97 1
            109  88  98 2
            110  90  99 2
            111  91 100 1
            112  92 101 2
            113  92 102 1
            114  94 103 2
            115  95 104 1
            116  96 105 1
            117  96 106 2
            118  97 107 2
            119  98 108 1
            120  99 109 1
            121  99 110 1
            122 100 111 1
            123 101 112 1
            124 102 113 2
            125 103 114 1
            126 103 115 1
            127 104 116 1
            128 105 117 1
            129 105 118 2
            130 107 119 1
            131 107 120 1
            132 108 121 1
            133 109 122 1
            134 112 123 2
            135 112 124 1
            136 113 125 1
            137 114 126 1
            138 117 127 2
            139 118 128 1
            140 119 129 1
            141 123 130 1
            142 127 131 1
            143 127 132 1
            144 131 133 1
            145  22  29 1
            146 128 134 1
            147  60 134 1


entry: C10241
name: --- - Tellimagrandin I
formula: C34H26O22
kcf:
ATOM        56
            1   C1y C     5.0612  -11.0073
            2   C1y C     5.7623  -10.5989
            3   C1y C     4.3755  -10.5989
            4   O7a O     5.0578  -11.7633
            5   C1y C     5.7623   -9.8047
            6   O7a O     6.4597  -11.0414
            7   C1y C     4.3755   -9.8047
            8   O7x O     3.0832  -11.2580
            9   C7a C     4.4769  -12.1924
            10  O2x O     5.0612   -9.4073
            11  C7a C     6.4597  -11.8432
            12  C1x C     3.6882   -9.4073
            13  C7x C     3.0832  -12.1460
            14  C8y C     4.4555  -12.9562
            15  O7a O     3.8078  -11.8076
            16  C8y C     7.1497  -12.2440
            17  O7a O     5.7657  -12.2440
            18  O7x O     3.0714   -9.9151
            19  C8y C     2.3932  -12.5468
            20  O7x O     3.7567  -12.5648
            21  C8x C     3.7697  -13.3708
            22  C8x C     5.1557  -13.3432
            23  C8x C     7.1497  -13.0527
            24  C8x C     7.8396  -11.8432
            25  C7x C     2.3815   -9.5142
            26  C8x C     2.3932  -13.3596
            27  C8y C     1.6999  -12.1460
            28  C8y C     3.7766  -14.1761
            29  C8y C     5.1730  -14.1519
            30  C8y C     7.8396  -13.4603
            31  C8y C     8.5441  -12.2440
            32  C8y C     1.6874   -9.9151
            33  O7x O     2.3815   -8.7125
            34  C8y C     1.6999  -13.7674
            35  C8y C     0.9954  -12.5468
            36  C8y C     4.4838  -14.5665
            37  O1a O     3.0818  -14.5872
            38  O1a O     5.8781  -14.5306
            39  C8y C     8.5441  -13.0527
            40  O1a O     7.8396  -14.2587
            41  O1a O     9.2382  -11.8398
            42  C8y C     1.6874  -10.7244
            43  C8x C     0.9974   -9.5142
            44  C8y C     0.9954  -13.3596
            45  O1a O     1.7033  -14.5691
            46  O1a O     0.3054  -12.1460
            47  O1a O     4.4658  -15.4932
            48  O1a O     9.2416  -13.4500
            49  C8y C     0.9974  -11.1357
            50  C8y C     0.2971   -9.9151
            51  O1a O     0.3054  -13.7570
            52  C8y C     0.2971  -10.7244
            53  O1a O     0.9974  -11.9380
            54  O1a O    -0.4011   -9.5108
            55  O1a O    -0.4045  -11.1253
            56  O1a O     6.4835   -9.3813
BOND        61
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1 #Up
            12    8  13 1
            13    9  14 1
            14    9  15 2
            15   11  16 1
            16   11  17 2
            17   12  18 1
            18   13  19 1
            19   13  20 2
            20   14  21 1
            21   14  22 2
            22   16  23 1
            23   16  24 2
            24   18  25 1
            25   19  26 1
            26   19  27 2
            27   21  28 2
            28   22  29 1
            29   23  30 2
            30   24  31 1
            31   25  32 1
            32   25  33 2
            33   26  34 2
            34   27  35 1
            35   28  36 1
            36   28  37 1
            37   29  38 1
            38   30  39 1
            39   30  40 1
            40   31  41 1
            41   32  42 1
            42   32  43 2
            43   34  44 1
            44   34  45 1
            45   35  46 1
            46   36  47 1
            47   39  48 1
            48   42  49 2
            49   43  50 1
            50   44  51 1
            51   49  52 1
            52   49  53 1
            53   50  54 1
            54   52  55 1
            55    7  10 1
            56   29  36 2
            57   31  39 2
            58   35  44 2
            59   50  52 2
            60   42  27 1
            61    5  56 1 #Either


entry: C10242
name: --- - Terminalin
formula: C28H10O16
kcf:
ATOM        44
            1   C8y C     0.0172   -0.4207
            2   C8y C     0.0241    0.4069
            3   C8y C    -0.7069   -0.8276
            4   C8y C     0.7345   -0.8414
            5   C8y C     0.7483    0.8138
            6   C8y C    -0.6897    0.8310
            7   C8y C    -0.7138   -1.6621
            8   C8y C    -1.4172   -0.4069
            9   C8y C     0.7276   -1.6724
            10  O7x O     1.4552   -0.4345
            11  C8y C     0.7483    1.6414
            12  C8y C     1.4621    0.4000
            13  C8y C    -0.6793    1.6586
            14  O7x O    -1.4069    0.4241
            15  C8y C    -1.4379   -2.0759
            16  C8y C     0.0034   -2.0828
            17  O7x O    -2.2552   -0.4034
            18  O1a O     1.4448   -2.0966
            19  C8y C     1.4655    2.0379
            20  C8y C     0.0448    2.0655
            21  O7x O     2.1759    0.8103
            22  O1a O    -1.3931    2.0828
            23  C8y C    -1.4414   -2.9069
            24  C8y C    -2.1552   -1.6586
            25  O7x O     0.0034   -2.9138
            26  C8y C     1.4862    2.8586
            27  C8y C     2.1655    1.6138
            28  O7x O     0.0586    2.8862
            29  C8y C    -0.7207   -3.3276
            30  C8x C    -2.1552   -3.3241
            31  C8y C    -2.8793   -2.0759
            32  O1a O    -2.1517   -0.8241
            33  C8y C     0.7793    3.2828
            34  C8x C     2.2000    3.2517
            35  C8y C     2.8862    2.0069
            36  O1a O     1.4379    1.2000
            37  O7x O    -0.7241   -4.1621
            38  C8y C    -2.8793   -2.9069
            39  O1a O    -3.6000   -1.6586
            40  O7x O     0.7966    4.1138
            41  C8y C     2.9035    2.8276
            42  O1a O     3.6000    1.5759
            43  O1a O    -3.6000   -3.3241
            44  O1a O     3.6345    3.2276
BOND        51
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    8  17 2
            17    9  18 1
            18   11  19 1
            19   11  20 2
            20   12  21 2
            21   13  22 1
            22   15  23 2
            23   15  24 1
            24   16  25 1
            25   19  26 2
            26   19  27 1
            27   20  28 1
            28   23  29 1
            29   23  30 1
            30   24  31 2
            31   24  32 1
            32   26  33 1
            33   26  34 1
            34   27  35 2
            35   27  36 1
            36   29  37 2
            37   30  38 2
            38   31  39 1
            39   33  40 2
            40   34  41 2
            41   35  42 1
            42   38  43 1
            43   41  44 1
            44    8  14 1
            45    9  16 1
            46   10  12 1
            47   13  20 1
            48   25  29 1
            49   28  33 1
            50   31  38 1
            51   35  41 1


entry: C10243
name: --- - 1,2,3,4-Tetragalloyl-alpha-D-glucose
formula: C34H28O22
kcf:
ATOM        56
            1   C1y C     5.3904  -13.2490
            2   C1y C     6.1039  -12.8322
            3   C1y C     4.6921  -12.8322
            4   O7a O     5.3870  -14.0132
            5   C1y C     6.1039  -12.0213
            6   O7a O     6.8098  -13.2789
            7   C1y C     4.6921  -12.0213
            8   O7a O     3.3832  -13.4997
            9   C7a C     4.7977  -14.4507
            10  O2x O     5.3904  -11.6198
            11  C7a C     6.8098  -14.0973
            12  C1b C     3.9965  -11.6198
            13  C7a C     3.3832  -14.4043
            14  C8y C     4.7763  -15.2270
            15  O7a O     4.1203  -14.0617
            16  C8y C     7.5080  -14.5023
            17  O7a O     6.1073  -14.5023
            18  O1a O     3.3714  -12.1401
            19  C8y C     2.6807  -14.8094
            20  O7a O     4.0608  -14.8274
            21  C8x C     4.0738  -15.6458
            22  C8x C     5.4890  -15.6182
            23  C8x C     7.5080  -15.3235
            24  C8x C     8.2105  -14.0973
            25  C8x C     2.6807  -15.6346
            26  C8x C     1.9790  -14.4043
            27  C8y C     4.0807  -16.4635
            28  C8y C     5.5063  -16.4393
            29  C8y C     8.2105  -15.7395
            30  C8y C     8.9274  -14.5023
            31  C8y C     1.9790  -16.0508
            32  C8y C     1.2621  -14.8094
            33  C8y C     4.8046  -16.8623
            34  O1a O     3.3818  -16.8830
            35  O1a O     6.2156  -16.8265
            36  C8y C     8.9274  -15.3235
            37  O1a O     8.2105  -16.5503
            38  O1a O     9.6299  -14.0939
            39  C8y C     1.2621  -15.6346
            40  O1a O     1.9824  -16.8649
            41  O1a O     0.5596  -14.4043
            42  O1a O     4.7866  -17.8015
            43  O1a O     9.6333  -15.7292
            44  O1a O     0.5596  -16.0404
            45  O7a O     6.8008  -11.5823
            46  C7a C     7.5156  -11.2107
            47  C8y C     8.2139  -11.6233
            48  O7a O     7.5191  -10.3999
            49  C8x C     8.2139  -12.4444
            50  C8x C     8.9308  -11.2141
            51  C8y C     8.9308  -12.8564
            52  C8y C     9.6333  -11.6233
            53  C8y C     9.6195  -12.4161
            54  O1a O     8.9308  -13.6712
            55  O1a O    10.3358  -11.2141
            56  O1a O    10.3392  -12.8426
BOND        60
            1     8  13 1
            2     9  14 1
            3     9  15 2
            4    11  16 1
            5    11  17 2
            6    12  18 1
            7    13  19 1
            8    13  20 2
            9    14  21 1
            10   14  22 2
            11   16  23 1
            12   16  24 2
            13   19  25 1
            14   19  26 2
            15   21  27 2
            16   22  28 1
            17   23  29 2
            18   24  30 1
            19   25  31 2
            20   26  32 1
            21   27  33 1
            22   27  34 1
            23   28  35 1
            24   29  36 1
            25   29  37 1
            26   30  38 1
            27   31  39 1
            28   31  40 1
            29   32  41 1
            30   33  42 1
            31   36  43 1
            32   39  44 1
            33    7  10 1
            34   28  33 2
            35   30  36 2
            36   32  39 2
            37    5  45 1 #Down
            38    1   2 1
            39    1   3 1
            40    1   4 1 #Up
            41    2   5 1
            42    2   6 1 #Down
            43    3   7 1
            44    3   8 1 #Down
            45    4   9 1
            46    5  10 1
            47    6  11 1
            48    7  12 1 #Up
            49   45  46 1
            50   46  47 1
            51   46  48 2
            52   47  49 2
            53   47  50 1
            54   49  51 1
            55   50  52 2
            56   51  53 2
            57   51  54 1
            58   52  55 1
            59   53  56 1
            60   52  53 1


entry: C10244
name: --- - Agrostophyllin
formula: C17H14O4
kcf:
ATOM        21
            1   C8y C    12.5607   -7.2107
            2   C8y C    11.7356   -7.2142
            3   C8y C    12.9720   -7.9278
            4   C8y C    12.9757   -6.4946
            5   C8y C    11.3236   -7.9320
            6   C8y C    11.3165   -6.4966
            7   C8y C    13.8014   -7.9307
            8   C1x C    12.5648   -8.6444
            9   C8x C    13.8067   -6.4945
            10  C8x C    12.5613   -5.7757
            11  C8x C    10.4909   -7.9351
            12  O2x O    11.7350   -8.6492
            13  C8x C    10.4885   -6.4984
            14  C8x C    11.7285   -5.7788
            15  C8y C    14.2164   -7.2147
            16  O2a O    14.2158   -8.6497
            17  C8y C    10.0765   -7.2162
            18  O1a O    15.0474   -7.2146
            19  C1a C    15.0450   -8.6525
            20  O2a O     9.2438   -7.2193
            21  C1a C     8.8295   -6.5004
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16   11  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   20  21 1
            21    8  12 1
            22    9  15 2
            23   10  14 2
            24   13  17 2


entry: C10245
name: --- - Astringin
formula: C20H22O9
kcf:
ATOM        29
            1   C8y C     9.3933  -11.3605
            2   C8y C     9.3864  -12.1873
            3   C8x C     8.6784  -10.9437
            4   O1a O    10.0971  -10.9403
            5   C8x C     8.6680  -12.5937
            6   O1a O    10.0937  -12.5972
            7   C8y C     7.9600  -11.3536
            8   C8x C     7.9607  -12.1804
            9   C2b C     7.2484  -10.9403
            10  C2b C     6.5376  -11.3571
            11  C8y C     5.8297  -10.9506
            12  C8x C     5.1189  -11.3571
            13  C8x C     5.8297  -10.1273
            14  C8y C     4.4039  -10.9472
            15  C8y C     5.1223   -9.7140
            16  C8x C     4.4074  -10.1239
            17  O1a O     5.1120   -8.8831
            18  O2a O     3.6471  -11.3461
            19  C1y C     2.9000  -11.8891
            20  O2x O     2.1897  -11.4760
            21  C1y C     2.8966  -12.7133
            22  C1y C     1.4766  -11.8863
            23  C1y C     2.1870  -13.1160
            24  O1a O     3.6096  -13.1228
            25  C1y C     1.4732  -12.7098
            26  C1b C     0.7635  -11.4691
            27  O1a O     2.1835  -13.9428
            28  O1a O     0.7566  -13.1160
            29  O1a O     0.0470  -11.8829
BOND        31
            1    11  13 2
            2    12  14 2
            3    13  15 1
            4    14  16 1
            5    15  17 1
            6     7   8 2
            7    15  16 2
            8    14  18 1
            9     1   2 1
            10    1   3 2
            11    1   4 1
            12    2   5 2
            13    2   6 1
            14    3   7 1
            15    5   8 1
            16    7   9 1
            17    9  10 2
            18   10  11 1
            19   11  12 1
            20   19  18 1 #Up
            21   19  20 1
            22   19  21 1
            23   20  22 1
            24   21  23 1
            25   21  24 1 #Down
            26   22  25 1
            27   22  26 1 #Up
            28   23  27 1 #Up
            29   25  28 1 #Down
            30   26  29 1
            31   23  25 1


entry: C10246
name: --- - Batatasin I
formula: C17H16O4
kcf:
ATOM        21
            1   C8x C     3.3891  -11.3022
            2   C8y C     2.9560  -12.0111
            3   C8x C     3.3575  -12.7400
            4   C8y C     4.1844  -12.7578
            5   C8y C     4.2195  -11.3222
            6   C8y C     4.6109  -12.0464
            7   C8x C     5.4750  -10.6402
            8   C8x C     4.6516  -10.6191
            9   C8y C     5.8664  -11.3644
            10  C8y C     5.4338  -12.0662
            11  C8x C     5.8280  -12.7901
            12  C8y C     6.6504  -12.8123
            13  C8y C     7.0788  -12.1105
            14  C8x C     6.6888  -11.3866
            15  O2a O     2.1271  -11.9924
            16  O2a O     4.5822  -13.4847
            17  O1a O     7.0434  -13.5418
            18  O2a O     7.9077  -12.1329
            19  C1a C     1.7309  -11.2646
            20  C1a C     5.4112  -13.5015
            21  C1a C     8.3008  -12.8582
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14   9 1
            10    5   6 2
            11    2  15 1
            12    6  10 1
            13    4  16 1
            14    9   7 1
            15   12  17 1
            16    7   8 2
            17   13  18 1
            18    8   5 1
            19   15  19 1
            20    4   6 1
            21   16  20 1
            22    5   1 1
            23   18  21 1


entry: C10247
name: --- - Batatasin IV
formula: C15H16O3
kcf:
ATOM        18
            1   C8x C    -0.8375  -10.8875
            2   C8y C    -0.8375  -11.7167
            3   C8x C    -0.1171  -12.1292
            4   C8y C     0.5990  -11.7167
            5   C8x C     0.5990  -10.8875
            6   C8y C    -0.1171  -10.4708
            7   C1b C     1.3180  -12.1286
            8   C1b C     2.0363  -11.7156
            9   C8y C     2.7553  -12.1276
            10  C8x C     2.7547  -12.9539
            11  C8x C     3.4736  -13.3700
            12  C8x C     4.1878  -12.9528
            13  C8x C     4.1872  -12.1237
            14  C8y C     3.4724  -11.7075
            15  O1a O     3.4702  -10.8784
            16  O2a O    -0.1161   -9.6417
            17  O1a O    -1.5518  -12.1295
            18  C1a C     0.6031   -9.2259
BOND        19
            1     8   9 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   1 2
            6     9  10 1
            7    10  11 2
            8    11  12 1
            9    12  13 2
            10   13  14 1
            11   14   9 2
            12    4   7 1
            13   14  15 1
            14    1   2 1
            15    6  16 1
            16    7   8 1
            17    2  17 1
            18    2   3 2
            19   16  18 1


entry: C10248
name: --- - Blestriarene B
formula: C30H24O6
kcf:
ATOM        36
            1   C8y C     7.5741  -14.9056
            2   C8y C     7.9760  -15.6256
            3   C8y C     8.8035  -15.6384
            4   C8y C     7.5502  -16.3365
            5   C8y C     9.2053  -16.3619
            6   C1x C     9.2257  -14.9241
            7   C8x C     7.9521  -17.0600
            8   O1a O     6.7227  -16.3237
            9   C8y C    10.0362  -16.3747
            10  C8y C     8.7796  -17.0727
            11  C1x C    10.0568  -14.9369
            12  C8y C    10.4620  -15.6569
            13  C8x C    10.4484  -17.1017
            14  O2a O     9.1848  -17.8032
            15  C8x C    11.2930  -15.6628
            16  C8x C    11.2828  -17.1075
            17  C1a C     8.7590  -18.5140
            18  C8y C    11.7052  -16.3864
            19  O1a O    12.5362  -16.3889
            20  C8y C     7.9991  -14.2007
            21  C8x C     7.5972  -13.4807
            22  C8y C     6.7727  -13.4687
            23  O1a O     8.8240  -14.2146
            24  O2a O     6.3707  -12.7483
            25  C1a C     6.7936  -12.0399
            26  C8y C     6.7519  -14.8968
            27  C8y C     6.3511  -14.1783
            28  C8x C     5.5075  -15.5911
            29  C8x C     6.3301  -15.6031
            30  C8y C     5.1067  -14.8726
            31  C8y C     5.5296  -14.1717
            32  C8x C     5.1340  -13.4549
            33  C8x C     4.3155  -13.4392
            34  C8y C     3.8926  -14.1401
            35  C8x C     4.2882  -14.8568
            36  O1a O     3.0677  -14.1243
BOND        41
            1    15  18 2
            2    18  19 1
            3     7  10 1
            4    11  12 1
            5    16  18 1
            6     1   2 1
            7     2   3 2
            8     1  20 2
            9    20  21 1
            10   21  22 2
            11   22  27 1
            12   26   1 1
            13    2   4 1
            14   20  23 1
            15    3   5 1
            16   22  24 1
            17    3   6 1
            18   24  25 1
            19    4   7 2
            20    4   8 1
            21    5   9 1
            22    5  10 2
            23   26  27 2
            24   27  31 1
            25   30  28 1
            26   28  29 2
            27   29  26 1
            28    6  11 1
            29    9  12 2
            30    9  13 1
            31   10  14 1
            32   12  15 1
            33   13  16 2
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   35  30 1
            40   14  17 1
            41   34  36 1


entry: C10249
name: --- - Canaliculatol
formula: C42H32O9
kcf:
ATOM        51
            1   C1y C     6.0478  -11.1456
            2   C1y C     5.7375  -11.9145
            3   C8y C     5.6961  -10.4214
            4   C1y C     6.8754  -11.2042
            5   C1y C     4.9754  -12.2352
            6   C8y C     6.3720  -12.4421
            7   C8y C     4.9478  -10.0663
            8   C8x C     6.3789   -9.9490
            9   C8y C     7.0720  -12.0076
            10  C8y C     4.2134  -11.9283
            11  C8x C     6.3961  -13.2697
            12  C1y C     4.1858  -10.3904
            13  C8y C     4.8823   -9.2387
            14  C8y C     6.3134   -9.1214
            15  C8y C     7.8030  -12.3973
            16  C8y C     3.8858  -11.1628
            17  C8y C     3.7134  -12.5973
            18  C8y C     7.1272  -13.6628
            19  C1y C     3.6409   -9.7628
            20  O2x O     4.0720   -9.0525
            21  C8x C     5.5616   -8.7697
            22  O1a O     6.9892   -8.6525
            23  C8x C     7.8272  -13.2249
            24  O1a O     8.5065  -11.9663
            25  C8x C     3.0582  -11.0663
            26  C8x C     2.8858  -12.4973
            27  O1a O     3.7065  -13.4214
            28  O1a O     7.1513  -14.4939
            29  C8y C     2.5582  -11.7318
            30  O1a O     1.7341  -11.6387
            31  C8y C     2.8189   -9.8326
            32  C8x C     2.3478   -9.1559
            33  C8x C     2.4685  -10.5870
            34  C8x C     1.5203   -9.2283
            35  C8x C     1.6444  -10.6594
            36  C8y C     1.1651   -9.9766
            37  O1a O     0.3409  -10.0490
            38  C8y C     7.5865  -10.7819
            39  C8x C     8.3030  -11.1973
            40  C8x C     7.5892   -9.9525
            41  C8x C     9.0203  -10.7835
            42  C8x C     8.3065   -9.5421
            43  C8y C     9.0203   -9.9559
            44  O1a O     9.7409   -9.5456
            45  C8y C     4.9823  -13.0663
            46  C8x C     4.2651  -13.4870
            47  C8x C     5.7030  -13.4732
            48  C8x C     4.2720  -14.3145
            49  C8x C     5.7099  -14.3042
            50  C8y C     4.9927  -14.7214
            51  O1a O     4.9996  -15.5525
BOND        59
            1    14  22 1
            2    15  23 2
            3    15  24 1
            4    16  25 1
            5    17  26 2
            6    17  27 1
            7    18  28 1
            8    25  29 2
            9    29  30 1
            10    6   9 2
            11   12  16 1
            12   14  21 1
            13   18  23 1
            14   19  20 1
            15   26  29 1
            16   19  31 1 #Down
            17    1   2 1
            18    1   3 1
            19    1   4 1
            20    2   5 1
            21    2   6 1
            22    3   7 2
            23   31  32 2
            24   31  33 1
            25   32  34 1
            26   33  35 2
            27   34  36 2
            28   36  37 1
            29   35  36 1
            30    3   8 1
            31    4  38 1 #Down
            32    4   9 1
            33    5  10 1
            34    6  11 1
            35    7  12 1
            36    7  13 1
            37    8  14 2
            38   38  39 1
            39   38  40 2
            40   39  41 2
            41   40  42 1
            42   41  43 1
            43   43  44 1
            44   42  43 2
            45    9  15 1
            46    5  45 1 #Down
            47   10  16 2
            48   10  17 1
            49   11  18 2
            50   12  19 1
            51   13  20 1
            52   13  21 2
            53   45  46 1
            54   45  47 2
            55   46  48 2
            56   47  49 1
            57   48  50 1
            58   50  51 1
            59   49  50 2


entry: C10250
name: --- - Chlorophorin
formula: C24H28O4
kcf:
ATOM        28
            1   C1a C    -4.1083   -3.5417
            2   C2c C    -3.3897   -3.1292
            3   C2b C    -2.6711   -3.5417
            4   C1b C    -1.9524   -3.1292
            5   C1b C    -1.2338   -3.5417
            6   C2c C    -0.5193   -3.1292
            7   C2b C     0.1993   -3.5417
            8   C1a C    -3.3897   -2.3000
            9   C1a C    -0.5193   -2.3000
            10  C1b C     0.9180   -3.1292
            11  C8y C     1.6366   -3.5417
            12  C8y C     1.6330   -4.3663
            13  C8x C     2.3516   -4.7829
            14  C8y C     3.0703   -4.3663
            15  C8x C     3.0703   -3.5371
            16  C8y C     2.3516   -3.1246
            17  O1a O     2.3488   -2.2954
            18  O1a O     0.9135   -4.7814
            19  C2b C     3.7889   -4.7829
            20  C2b C     4.5034   -4.3662
            21  C8y C     5.2220   -4.7829
            22  C8y C     5.2207   -5.6080
            23  C8x C     5.9394   -6.0205
            24  C8y C     6.6580   -5.6080
            25  C8x C     6.6580   -4.7788
            26  C8x C     5.9394   -4.3621
            27  O1a O     4.5017   -6.0199
            28  O1a O     7.3766   -6.0205
BOND        29
            1    12  13 2
            2    13  14 1
            3    14  15 2
            4    15  16 1
            5    16  11 2
            6    16  17 1
            7     6   9 1
            8    12  18 1
            9     4   5 1
            10   14  19 1
            11    7  10 1
            12   19  20 2
            13    2   3 2
            14   20  21 1
            15   10  11 1
            16    5   6 1
            17    1   2 1
            18    6   7 2
            19    3   4 1
            20   21  22 2
            21   22  23 1
            22   23  24 2
            23   24  25 1
            24   25  26 2
            25   26  21 1
            26    2   8 1
            27   22  27 1
            28   11  12 1
            29   24  28 1


entry: C10251
name: --- - Coelogin
formula: C17H16O5
kcf:
ATOM        22
            1   C8y C     4.9114  -12.4485
            2   C8y C     4.0834  -12.4503
            3   C8y C     5.3277  -11.7372
            4   C8y C     5.3150  -13.1653
            5   C8y C     3.6721  -11.7330
            6   C8y C     3.6713  -13.1680
            7   C8y C     6.1489  -11.7474
            8   C1x C     4.9147  -11.0229
            9   C8y C     6.1396  -13.1696
            10  C1x C     4.9149  -13.8899
            11  C1x C     4.0871  -11.0170
            12  C8x C     2.8410  -11.7331
            13  O2x O     4.0873  -13.8840
            14  C8x C     2.8462  -13.1715
            15  C8y C     6.5572  -12.4630
            16  O2a O     6.5716  -11.0319
            17  O1a O     6.5445  -13.8910
            18  C8y C     2.4272  -12.4538
            19  O2a O     7.3848  -12.4689
            20  C1a C     7.4022  -11.0395
            21  O1a O     1.5991  -12.4556
            22  C1a C     7.7913  -13.1874
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    7  15 2
            15    7  16 1
            16    9  17 1
            17   12  18 2
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   19  22 1
            22    8  11 1
            23    9  15 1
            24   10  13 1
            25   14  18 1


entry: C10252
name: --- - Copalliferol B
formula: C42H32O9
kcf:
ATOM        51
            1   C1y C    -0.7655   -0.0759
            2   C1y C    -0.5207   -0.8655
            3   C2y C    -0.2966    0.6069
            4   C8y C    -1.5897   -0.0690
            5   C1y C    -1.1931   -1.3414
            6   C8y C     0.2552   -1.1724
            7   C2y C     0.5345    0.6724
            8   C8y C    -0.7103    1.3207
            9   C8y C    -1.8552   -0.8483
            10  C8x C    -2.1310    0.5517
            11  C8y C    -1.2034   -2.1655
            12  C8y C     0.9724   -0.7621
            13  C8x C     0.2552   -1.9966
            14  C1y C     1.1000    0.0621
            15  C8y C     0.8345    1.4414
            16  C8x C    -0.2966    2.0345
            17  C8x C    -1.5345    1.3207
            18  C8y C    -2.6621   -1.0069
            19  C8y C    -2.9379    0.3931
            20  C8x C    -1.9241   -2.5690
            21  C8x C    -0.4931   -2.5862
            22  C8y C     1.6862   -1.1724
            23  C8y C     0.9724   -2.4103
            24  C8y C     1.8862    0.3034
            25  C8x C     1.6448    1.5621
            26  C8x C     0.3138    2.0828
            27  C8x C    -0.7069    2.7483
            28  C8x C    -1.9448    2.0345
            29  C8x C    -3.2034   -0.3862
            30  O1a O    -2.9310   -1.7862
            31  O1a O    -3.4793    1.0138
            32  C8x C    -1.9345   -3.3931
            33  C8x C    -0.5034   -3.4103
            34  C8x C     1.6862   -1.9966
            35  O1a O     2.4000   -0.7621
            36  O1a O     0.9724   -3.2345
            37  C8x C     2.4897   -0.2552
            38  C8x C     2.0690    1.1103
            39  C8y C     1.9448    2.3310
            40  C8y C     0.6138    2.8517
            41  C8y C    -1.5345    2.7483
            42  C8y C    -1.2241   -3.8138
            43  C8x C     3.2759   -0.0138
            44  C8x C     2.8552    1.3517
            45  C8x C     1.4310    2.9759
            46  O1a O     2.7586    2.4552
            47  O1a O     0.1000    3.4931
            48  O1a O    -1.9448    3.4621
            49  O1a O    -1.2345   -4.6379
            50  C8y C     3.4621    0.7897
            51  O1a O     4.2483    1.0345
BOND        58
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1 #Down
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    8  16 2
            16    8  17 1
            17    9  18 1
            18   10  19 2
            19   11  20 2
            20   11  21 1
            21   12  22 1
            22   13  23 2
            23   14  24 1 #Down
            24   15  25 2
            25   15  26 1
            26   16  27 1
            27   17  28 2
            28   18  29 2
            29   18  30 1
            30   19  31 1
            31   20  32 1
            32   21  33 2
            33   22  34 2
            34   22  35 1
            35   23  36 1
            36   24  37 1
            37   24  38 2
            38   25  39 1
            39   26  40 2
            40   27  41 2
            41   32  42 2
            42   37  43 2
            43   38  44 1
            44   39  45 2
            45   39  46 1
            46   40  47 1
            47   41  48 1
            48   42  49 1
            49   43  50 1
            50   50  51 1
            51    5   9 1
            52   12  14 1
            53   19  29 1
            54   23  34 1
            55   28  41 1
            56   33  42 1
            57   40  45 1
            58   44  50 2


entry: C10253
name: --- - Demethylbatatasin IV
formula: C14H14O3
kcf:
ATOM        17
            1   C8x C     2.9166  -11.5625
            2   C8y C     2.9166  -12.3916
            3   C8x C     3.6370  -12.8083
            4   C8y C     4.3532  -12.3916
            5   C8x C     4.3532  -11.5625
            6   C8y C     3.6370  -11.1500
            7   C1b C     5.0721  -12.8078
            8   C1b C     5.7904  -12.3906
            9   C8y C     6.5094  -12.8067
            10  C8x C     6.5088  -13.6330
            11  C8x C     7.2277  -14.0450
            12  C8x C     7.9419  -13.6320
            13  C8x C     7.9413  -12.8028
            14  C8y C     7.2265  -12.3867
            15  O1a O     3.6380  -10.3208
            16  O1a O     2.2024  -12.8087
            17  O1a O     7.2244  -11.5575
BOND        18
            1     2   3 2
            2     8   9 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   1 2
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10   12  13 1
            11   13  14 2
            12   14   9 1
            13    4   7 1
            14    6  15 1
            15    1   2 1
            16    2  16 1
            17    7   8 1
            18   14  17 1


entry: C10254
name: --- - Dihydropinosylvin
formula: C14H14O2
kcf:
ATOM        16
            1   C8x C    -1.7958   -2.6667
            2   C8y C    -1.7958   -3.4958
            3   C8x C    -1.0755   -3.9125
            4   C8y C    -0.3593   -3.4958
            5   C8x C    -0.3593   -2.6667
            6   C8y C    -1.0755   -2.2542
            7   C1b C     0.3596   -3.9120
            8   C1b C     1.0780   -3.4948
            9   C8y C     1.7969   -3.9109
            10  C8x C     1.7963   -4.7372
            11  C8x C     2.5153   -5.1492
            12  C8x C     3.2294   -4.7362
            13  C8x C     3.2288   -3.9070
            14  C8x C     2.5141   -3.4909
            15  O1a O    -1.0744   -1.4250
            16  O1a O    -2.5101   -3.9129
BOND        17
            1     7   8 1
            2     2   3 2
            3     8   9 1
            4     3   4 1
            5     4   5 2
            6     5   6 1
            7     6   1 2
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13   14   9 1
            14    4   7 1
            15    6  15 1
            16    1   2 1
            17    2  16 1


entry: C10255
name: --- - Dihydroresveratrol
formula: C14H14O3
kcf:
ATOM        17
            1   C1b C     1.9492   -3.7609
            2   C8y C     1.2371   -3.3503
            3   C8x C     0.5221   -3.7609
            4   C8x C     1.2371   -2.5228
            5   C8y C    -0.1970   -3.3469
            6   C8y C     0.5255   -2.1095
            7   C8x C    -0.1935   -2.5194
            8   O1a O    -0.9120   -3.7574
            9   O1a O     0.5152   -1.2745
            10  C1b C     2.6663   -3.3401
            11  C8x C     4.8174   -3.7643
            12  C8y C     4.8105   -4.5953
            13  C8x C     4.0983   -3.3434
            14  C8x C     4.0879   -5.0017
            15  O1a O     5.5220   -5.0052
            16  C8y C     3.3799   -3.7574
            17  C8x C     3.3764   -4.5884
BOND        18
            1     6   9 1
            2     6   7 2
            3     1  10 1
            4     1   2 1
            5     2   3 1
            6     2   4 2
            7     3   5 2
            8     4   6 1
            9     5   7 1
            10    5   8 1
            11   11  12 1
            12   11  13 2
            13   12  14 2
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   16  10 1
            18   16  17 2


entry: C10256
name: --- - 4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene
formula: C16H18O4
kcf:
ATOM        20
            1   C8y C    14.1458  -13.2625
            2   C8y C    14.1458  -14.0917
            3   C8x C    14.8662  -14.5083
            4   C8y C    15.5824  -14.0917
            5   C8x C    15.5824  -13.2625
            6   C8y C    14.8662  -12.8500
            7   O2a O    14.8672  -12.0208
            8   O1a O    13.4316  -12.8496
            9   O2a O    13.4316  -14.5087
            10  C1b C    16.3013  -14.5078
            11  C1b C    17.0196  -14.0906
            12  C8y C    17.7386  -14.5067
            13  C8x C    17.7380  -15.3331
            14  C8x C    18.4569  -15.7450
            15  C8y C    19.1711  -15.3320
            16  C8x C    19.1705  -14.5028
            17  C8x C    18.4557  -14.0867
            18  C1a C    14.1491  -11.6033
            19  C1a C    12.7127  -14.0924
            20  O1a O    19.8901  -15.7440
BOND        21
            1     4  10 1
            2     4   5 2
            3    10  11 1
            4     5   6 1
            5    11  12 1
            6     6   1 2
            7     6   7 1
            8     1   2 1
            9     1   8 1
            10   12  13 2
            11   13  14 1
            12   14  15 2
            13   15  16 1
            14   16  17 2
            15   17  12 1
            16    2   3 2
            17    7  18 1
            18    2   9 1
            19    9  19 1
            20    3   4 1
            21   15  20 1


entry: C10257
name: --- - 4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
formula: C15H14O3
kcf:
ATOM        18
            1   C8y C     4.9847  -12.2706
            2   C8y C     5.8097  -12.2752
            3   C8y C     4.5804  -11.5494
            4   C8y C     4.5705  -12.9831
            5   C8y C     6.2341  -11.5726
            6   C8x C     6.2112  -12.9946
            7   C8x C     3.7494  -11.5414
            8   C1x C     5.0024  -10.8375
            9   C8x C     3.7407  -12.9797
            10  O1a O     4.9778  -13.7060
            11  C1x C     5.8316  -10.8485
            12  C8x C     7.0587  -11.5849
            13  C8x C     7.0322  -13.0127
            14  C8y C     3.3304  -12.2551
            15  C8y C     7.4553  -12.3055
            16  O2a O     2.5007  -12.2518
            17  O1a O     8.2858  -12.3212
            18  C1a C     2.0933  -11.5289
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 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 2
            14   12  15 2
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18    8  11 1
            19    9  14 1
            20   13  15 1


entry: C10258
name: --- - Flavidin
formula: C15H12O3
kcf:
ATOM        18
            1   C8y C     5.5035  -12.1136
            2   C8y C     4.6820  -12.1020
            3   C8y C     5.9264  -11.4022
            4   C8y C     5.9116  -12.8340
            5   C8y C     4.2768  -11.3833
            6   C8y C     4.2621  -12.8151
            7   C8x C     6.7544  -11.4096
            8   C1x C     5.5290  -10.6839
            9   C8x C     6.7396  -12.8415
            10  C1x C     5.4917  -13.5472
            11  C8x C     3.4476  -11.3711
            12  C1x C     4.6997  -10.6719
            13  C8x C     3.4352  -12.8125
            14  O2x O     4.6624  -13.5351
            15  C8y C     7.1578  -12.1313
            16  C8y C     3.0260  -12.0872
            17  O1a O     7.9905  -12.1374
            18  O1a O     2.1962  -12.0829
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 2
            15   11  16 2
            16   15  17 1
            17   16  18 1
            18    8  12 1
            19    9  15 1
            20   10  14 1
            21   13  16 1


entry: C10259
name: --- - Glepidotin C
formula: C19H22O3
kcf:
ATOM        22
            1   C8y C     0.2500    0.1625
            2   C8y C     0.2500   -0.6667
            3   C8x C     0.9704   -1.0833
            4   C8y C     1.6865   -0.6667
            5   C8x C     1.6865    0.1625
            6   C8y C     0.9704    0.5750
            7   O1a O     0.9714    1.4083
            8   O1a O    -0.4684   -1.0837
            9   C1b C     2.4055   -1.0828
            10  C1b C     3.1238   -0.6656
            11  C8y C     3.8428   -1.0817
            12  C1b C    -0.4684    0.5795
            13  C1c C    -0.4680    1.4087
            14  O1a O     0.2509    1.8208
            15  C2c C    -1.1823    1.8216
            16  C1a C    -1.9011    1.4094
            17  C2a C    -1.1818    2.6507
            18  C8x C     3.8422   -1.9081
            19  C8x C     4.5569   -2.3200
            20  C8x C     5.2753   -1.9070
            21  C8x C     5.2747   -1.0778
            22  C8x C     4.5557   -0.6617
BOND        23
            1    10  11 1
            2     5   6 1
            3     1  12 1
            4     6   1 2
            5    12  13 1
            6    13  14 1 #Either
            7     6   7 1
            8    13  15 1
            9     1   2 1
            10   15  16 1
            11    2   8 1
            12   15  17 2
            13    2   3 2
            14    4   9 1
            15    3   4 1
            16    9  10 1
            17    4   5 2
            18   11  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  11 1


entry: C10260
name: --- - Gnetin A
formula: C28H22O6
kcf:
ATOM        34
            1   C1y C    14.0634   -9.7479
            2   C1y C    13.8200   -8.9782
            3   C1y C    13.0101   -8.9771
            4   C1y C    12.7646   -9.7470
            5   C5x C    13.4143  -10.2165
            6   C2y C    14.0616  -11.0459
            7   C5x C    12.7615  -11.0464
            8   C2x C    13.3633  -11.4500
            9   O5x O    13.4165  -10.8207
            10  C2b C    14.7680  -11.4536
            11  C2b C    15.4696  -11.0448
            12  C8y C    16.1761  -11.4525
            13  C8x C    16.1755  -12.2623
            14  C8x C    16.8819  -12.6700
            15  C8y C    17.5794  -12.2612
            16  C8x C    17.5788  -11.4486
            17  C8x C    16.8807  -11.0409
            18  O1a O    18.2859  -12.6690
            19  O5x O    12.0457  -11.4296
            20  C8y C    12.5380   -8.3261
            21  C8y C    14.2937   -8.3284
            22  C8x C    15.0934   -8.4140
            23  C8y C    15.5713   -7.7601
            24  C8x C    15.2456   -7.0224
            25  C8y C    14.4378   -6.9345
            26  C8x C    13.9640   -7.5884
            27  C8x C    12.8655   -7.5865
            28  C8x C    12.3892   -6.9313
            29  C8y C    11.5854   -7.0172
            30  C8x C    11.2578   -7.7540
            31  C8x C    11.7341   -8.4092
            32  O1a O    14.1121   -6.1968
            33  O1a O    16.3749   -7.8479
            34  O1a O    11.1133   -6.3620
BOND        38
            1    14  15 2
            2    15  16 1
            3    16  17 2
            4    17  12 1
            5    15  18 1
            6     3   4 1
            7     7  19 2
            8     5   9 2
            9     3  20 1 #Down
            10    4   5 1 #Up
            11    2  21 1 #Up
            12    1   5 1 #Up
            13    2   3 1
            14    1   6 1
            15    4   7 1
            16   21  22 2
            17   22  23 1
            18   23  24 2
            19   24  25 1
            20   25  26 2
            21   26  21 1
            22    1   2 1
            23    6   8 2
            24    7   8 1
            25    6  10 1
            26   10  11 2
            27   20  27 2
            28   27  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 2
            32   31  20 1
            33   11  12 1
            34   25  32 1
            35   12  13 2
            36   23  33 1
            37   13  14 1
            38   29  34 1


entry: C10261
name: --- - Hircinol
formula: C15H14O3
kcf:
ATOM        18
            1   C8y C     5.1726  -11.9951
            2   C8y C     5.9994  -11.9891
            3   C8y C     4.7634  -11.2747
            4   C8y C     4.7620  -12.7096
            5   C8y C     6.4190  -11.2796
            6   C8y C     6.4057  -12.7076
            7   C1x C     5.1787  -10.5588
            8   C8x C     3.9306  -11.2774
            9   C8x C     3.9370  -12.7128
            10  O2a O     5.1824  -13.4246
            11  C1x C     6.0033  -10.5635
            12  C8x C     7.2401  -11.2901
            13  C8x C     7.2303  -12.7123
            14  O1a O     5.9844  -13.4201
            15  C8y C     3.5183  -11.9949
            16  C1a C     4.7641  -14.1387
            17  C8x C     7.6451  -12.0041
            18  O1a O     2.6932  -11.9980
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 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    8  15 2
            15   10  16 1
            16   12  17 2
            17   15  18 1
            18    7  11 1
            19    9  15 1
            20   13  17 1


entry: C10262
name: --- - Hydrangenol
formula: C15H12O4
kcf:
ATOM        19
            1   C8y C    -1.1379   -0.7379
            2   C8y C    -1.1345    0.0931
            3   C7x C    -0.4207   -1.1517
            4   C8y C    -1.8517   -1.1483
            5   C1x C    -0.4138    0.5069
            6   C8x C    -1.8517    0.5103
            7   O7x O     0.3000   -0.7414
            8   O7x O    -0.4241   -1.9793
            9   C8x C    -2.5724   -0.7379
            10  O1a O    -1.8483   -1.9793
            11  C1y C     0.3034    0.0862
            12  C8x C    -2.5724    0.0931
            13  C8y C     1.0207    0.5000
            14  C8x C     1.7379    0.0793
            15  C8x C     1.0241    1.3276
            16  C8x C     2.4552    0.4931
            17  C8x C     1.7448    1.7379
            18  C8y C     2.4586    1.3207
            19  O1a O     3.1793    1.7310
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   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   18  19 1
            19    7  11 1
            20    9  12 1
            21   17  18 1


entry: C10263
formula: C15H25NO4
name:
--- 
- Amabiline
- Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester

kcf:
ATOM        20
            1   C1y C    10.9392  -12.0855
            2   C2y C    11.7151  -11.8061
            3   N1y N    10.9668  -12.9096
            4   C1x C    10.1358  -11.8613
            5   C2x C    12.2220  -12.4544
            6   C1b C    11.7151  -10.9751
            7   C1x C    11.7599  -13.1406
            8   C1x C    10.1944  -13.1993
            9   C1x C     9.6737  -12.5544
            10  O7a O    12.4289  -10.5579
            11  C7a C    13.1427  -10.9717
            12  C1d C    13.8599  -10.5544
            13  O7a O    13.1392  -11.7992
            14  C1c C    13.8565   -9.7268
            15  C1c C    14.5772  -10.9682
            16  O1a O    14.5690  -10.1355
            17  C1a C    14.5703   -9.3096
            18  C1a C    13.1358   -9.3130
            19  C1a C    15.2909  -10.5510
            20  O1a O    14.5703  -11.7958
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13   12  14 1 #Down
            14   12  15 1
            15   12  16 1 #Up
            16   14  17 1
            17   14  18 1
            18   15  19 1
            19   15  20 1 #Down
            20    5   7 1
            21    8   9 1


