# compounds

entry: C15712
name: --- - Melithiazole E - Cystothiazole A
formula: C20H26N2O4S2
kcf:
ATOM        28
            1   C8y C    41.0200  -26.0400
            2   C8y C    42.4200  -26.0400
            3   S2x S    43.2600  -27.1600
            4   C8x C    44.5900  -26.7400
            5   C8y C    44.5900  -25.3400
            6   N5x N    43.2600  -24.9200
            7   C8x C    40.1800  -24.9200
            8   S2x S    38.8500  -25.3400
            9   C8y C    38.8500  -26.7400
            10  N5x N    40.1800  -27.1600
            11  C1c C    37.6600  -27.4400
            12  C1a C    36.4000  -26.7400
            13  C2b C    45.7800  -24.6400
            14  C2b C    47.0400  -25.3400
            15  C1c C    48.2300  -24.6400
            16  C1c C    49.4200  -25.3400
            17  C1a C    37.6600  -28.9100
            18  O2a O    48.2300  -23.2400
            19  C2c C    50.6100  -24.6400
            20  C2b C    51.8000  -25.3400
            21  C1a C    47.0400  -22.5400
            22  O2a O    50.6100  -23.2400
            23  C1a C    49.4200  -26.7400
            24  C7a C    51.8000  -26.7400
            25  O7a O    52.9900  -27.4400
            26  O7a O    50.6100  -27.4400
            27  C1a C    51.8000  -22.5400
            28  C1a C    54.2081  -26.7499
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     2   6 2
            7     1   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    1  10 1
            12    9  11 1
            13   11  12 1
            14    5  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 1
            18   11  17 1
            19   15  18 1 #Down
            20   16  19 1
            21   19  20 2
            22   18  21 1
            23   19  22 1
            24   16  23 1 #Down
            25   20  24 1
            26   24  25 1
            27   24  26 2
            28   22  27 1
            29   25  28 1


entry: C15713
name: --- - Nodularin
formula: C41H60N8O10
kcf:
ATOM        59
            1   N1x N    34.8600  -14.7000
            2   C5x C    34.8600  -16.1000
            3   C1y C    36.0500  -16.8000
            4   N1x N    37.3100  -16.1000
            5   C5x C    38.5000  -16.8000
            6   C1y C    39.6900  -16.1000
            7   C1y C    40.9500  -16.8000
            8   N1x N    42.1400  -16.1000
            9   C5x C    42.1400  -14.7000
            10  N1x N    36.0500  -12.6000
            11  C5x C    34.8600  -11.9000
            12  C1y C    33.6700  -12.6000
            13  C1y C    33.6700  -14.0000
            14  C1x C    38.5000  -12.6000
            15  C1y C    37.3100  -11.9000
            16  C5x C    40.9500  -12.6000
            17  C1x C    39.6900  -11.9000
            18  C2y C    43.1900  -13.7200
            19  N1y N    42.5600  -12.4600
            20  C2b C    44.5679  -13.9680
            21  C1a C    45.4650  -12.9071
            22  C6a C    40.9672  -18.1999
            23  O6a O    42.1751  -18.8776
            24  O6a O    39.7508  -18.9224
            25  C1a C    39.6728  -14.7001
            26  O5x O    38.5000  -18.2000
            27  C1b C    36.0328  -18.1999
            28  C1b C    34.8249  -18.8776
            29  C1b C    34.8249  -20.2776
            30  N1b N    33.5766  -20.9983
            31  C2c C    33.5766  -22.3983
            32  N2a N    32.3811  -23.0887
            33  N1a N    34.8072  -23.1089
            34  C2b C    32.4547  -14.6951
            35  C2b C    31.2663  -14.0023
            36  C2c C    30.0699  -14.6865
            37  C2b C    28.8887  -13.9981
            38  C1c C    27.6887  -14.6845
            39  C1c C    26.5092  -13.9971
            40  C1b C    25.3085  -14.6841
            41  O2a O    26.5149  -12.6001
            42  C1a C    27.7415  -11.8984
            43  C8y C    24.1293  -13.9970
            44  C8x C    24.1349  -12.6001
            45  C8x C    22.9253  -11.8952
            46  C8x C    21.7101  -12.5904
            47  C8x C    21.7045  -13.9873
            48  C8x C    22.9141  -14.6921
            49  C1a C    27.6887  -16.0845
            50  C1a C    30.0699  -16.0865
            51  O5x O    34.8600  -10.5000
            52  C6a C    37.3272  -10.5001
            53  C1a C    32.4547  -11.9049
            54  O6a O    38.5351   -9.8224
            55  O6a O    36.1108   -9.7776
            56  O5x O    40.8560  -14.1420
            57  O5x O    39.7376  -13.3000
            58  C1a C    43.2437  -11.2383
            59  O5x O    33.6447  -16.7951
BOND        60
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12    1  13 1
            13   14  15 1
            14   15  10 1
            15   16  17 1
            16   14  17 1
            17   18  19 1
            18   16  19 1
            19   18   9 1
            20   18  20 2
            21   20  21 1
            22    7  22 1 #Up
            23   22  23 1
            24   22  24 2
            25    6  25 1 #Up
            26    5  26 2
            27    3  27 1 #Up
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 2
            33   31  33 1
            34   13  34 1
            35   34  35 2
            36   35  36 1
            37   36  37 2
            38   37  38 1
            39   38  39 1
            40   39  40 1
            41   39  41 1 #Down
            42   41  42 1
            43   40  43 1
            44   43  44 2
            45   44  45 1
            46   45  46 2
            47   46  47 1
            48   47  48 2
            49   43  48 1
            50   38  49 1 #Down
            51   36  50 1
            52   11  51 2
            53   15  52 1 #Up
            54   12  53 1 #Down
            55   52  54 1
            56   52  55 2
            57    9  56 2
            58   16  57 2
            59   19  58 1
            60    2  59 2


entry: C15714
name: --- - Myxochromide S1
formula: C38H54N6O8
kcf:
ATOM        52
            1   C5x C    17.3124  -18.2000
            2   N1x N    18.5249  -17.5000
            3   C1y C    18.5249  -16.1000
            4   O5x O    19.7373  -18.2000
            5   N1x N    20.9497  -16.1000
            6   C5x C    19.7373  -15.4000
            7   C1a C    22.1622  -18.2000
            8   N1x N    23.3746  -17.5000
            9   C5x C    23.3746  -16.1000
            10  C1y C    22.1622  -15.4000
            11  C5x C    19.7373  -19.6000
            12  C1y C    20.9497  -20.3000
            13  C1y C    22.1622  -19.6000
            14  O7x O    23.3746  -20.3000
            15  C7x C    24.5871  -19.6000
            16  C1y C    24.5871  -18.2000
            17  C1y C    17.3124  -19.6000
            18  N1x N    18.5249  -20.3000
            19  C1b C    25.7824  -17.5000
            20  C1b C    26.9949  -18.2000
            21  C5a C    28.2073  -17.5000
            22  N1a N    29.4197  -18.2000
            23  O5a O    28.2073  -16.1000
            24  O7x O    25.7866  -20.2927
            25  O5x O    24.5911  -15.3977
            26  C1a C    22.1622  -14.0003
            27  O5x O    19.7373  -14.0000
            28  C1a C    17.3314  -15.4107
            29  O5x O    16.0833  -17.4902
            30  C1b C    16.0833  -20.3098
            31  C1c C    14.8792  -19.6147
            32  C1a C    13.6963  -20.2978
            33  C1a C    14.8788  -18.2003
            34  N1c N    20.9497  -21.7000
            35  C1a C    19.7226  -22.4086
            36  C5a C    22.1473  -22.3915
            37  C2b C    23.3355  -21.7054
            38  O5a O    22.1475  -23.7997
            39  C2b C    24.5224  -22.4000
            40  C2b C    25.7349  -21.7000
            41  C2b C    26.9473  -22.4000
            42  C2b C    28.1597  -21.7000
            43  C2b C    29.3722  -22.4000
            44  C2b C    30.5846  -21.7000
            45  C2b C    31.7970  -22.4000
            46  C2b C    33.0095  -21.7000
            47  C2b C    34.2219  -22.4000
            48  C2b C    35.4344  -21.7000
            49  C2b C    36.6468  -22.4000
            50  C2b C    37.8592  -21.7000
            51  C2b C    39.0797  -22.4047
            52  C1a C    40.2793  -21.7120
BOND        52
            1     1   2 1
            2     2   3 1
            3     5   6 1
            4     3   6 1
            5     8   9 1
            6     9  10 1
            7     5  10 1
            8     4  11 2
            9    11  12 1
            10   12  13 1
            11   13   7 1 #Up
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16   8 1
            16    1  17 1
            17   17  18 1
            18   11  18 1
            19   16  19 1 #Up
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   21  23 2
            24   15  24 2
            25    9  25 2
            26   10  26 1 #Up
            27    6  27 2
            28    3  28 1 #Up
            29    1  29 2
            30   17  30 1 #Up
            31   30  31 1
            32   31  32 1
            33   31  33 1
            34   12  34 1 #Down
            35   34  35 1
            36   34  36 1
            37   36  37 1
            38   36  38 2
            39   37  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   42  43 2
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   50  51 2
            52   51  52 1


entry: C15715
name: --- - Myxochromide S2
formula: C39H56N6O8
kcf:
ATOM        53
            1   C5x C    31.9900  -24.9900
            2   N1x N    33.1800  -24.2900
            3   C1y C    33.1800  -22.8900
            4   O5x O    34.3700  -24.9900
            5   N1x N    35.6300  -22.8900
            6   C5x C    34.3700  -22.1900
            7   C1a C    36.8200  -24.9900
            8   N1x N    38.0100  -24.2900
            9   C5x C    38.0100  -22.8900
            10  C1y C    36.8200  -22.1900
            11  C5x C    34.3700  -26.3900
            12  C1y C    35.6300  -27.0900
            13  C1y C    36.8200  -26.3900
            14  O7x O    38.0100  -27.0900
            15  C7x C    39.2700  -26.3900
            16  C1y C    39.2700  -24.9900
            17  C1y C    31.9900  -26.3900
            18  N1x N    33.1800  -27.0900
            19  C1b C    40.4600  -24.2900
            20  C1b C    41.6500  -24.9900
            21  C5a C    42.8400  -24.2900
            22  N1a N    44.1000  -24.9900
            23  O5a O    42.8400  -22.8900
            24  O7x O    40.4600  -27.0900
            25  O5x O    39.2700  -22.1900
            26  C1a C    36.8200  -20.7900
            27  O5x O    34.3700  -20.7900
            28  C1a C    31.9900  -22.1900
            29  O5x O    30.7300  -24.2900
            30  C1b C    30.7300  -27.0900
            31  C1c C    29.5400  -26.4600
            32  C1a C    28.3500  -27.0900
            33  C1a C    29.5400  -24.9900
            34  N1c N    35.6300  -28.4900
            35  C1a C    34.3700  -29.2600
            36  C5a C    36.8200  -29.1900
            37  C2b C    38.0100  -28.4900
            38  O5a O    36.8200  -30.5900
            39  C2b C    39.2000  -29.1900
            40  C2b C    40.3900  -28.4900
            41  C2b C    41.5800  -29.1900
            42  C2b C    42.8400  -28.4900
            43  C2b C    44.0300  -29.1900
            44  C2b C    45.2200  -28.4900
            45  C2b C    46.4800  -29.1900
            46  C2b C    47.6700  -28.4900
            47  C2b C    48.8600  -29.1900
            48  C2b C    50.1200  -28.4900
            49  C2b C    51.3100  -29.1900
            50  C2b C    52.5000  -28.4900
            51  C2b C    53.7600  -29.1900
            52  C1b C    54.9500  -28.5600
            53  C1a C    56.1359  -29.3040
BOND        53
            1     1   2 1
            2     2   3 1
            3     5   6 1
            4     3   6 1
            5     8   9 1
            6     9  10 1
            7     5  10 1
            8     4  11 2
            9    11  12 1
            10   12  13 1
            11   13   7 1 #Up
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16   8 1
            16    1  17 1
            17   17  18 1
            18   11  18 1
            19   16  19 1 #Up
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   21  23 2
            24   15  24 2
            25    9  25 2
            26   10  26 1 #Up
            27    6  27 2
            28    3  28 1 #Up
            29    1  29 2
            30   17  30 1 #Up
            31   30  31 1
            32   31  32 1
            33   31  33 1
            34   12  34 1 #Down
            35   34  35 1
            36   34  36 1
            37   36  37 1
            38   36  38 2
            39   37  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   42  43 2
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   50  51 2
            52   51  52 1
            53   52  53 1


entry: C15716
name: --- - Myxochromide S3
formula: C40H56N6O8
kcf:
ATOM        54
            1   C5x C    31.4300  -24.9900
            2   N1x N    32.6200  -24.2900
            3   C1y C    32.6200  -22.8900
            4   O5x O    33.8100  -24.9900
            5   N1x N    35.0700  -22.8900
            6   C5x C    33.8100  -22.1900
            7   C1a C    36.2600  -24.9900
            8   N1x N    37.4500  -24.2900
            9   C5x C    37.4500  -22.8900
            10  C1y C    36.2600  -22.1900
            11  C5x C    33.8100  -26.3900
            12  C1y C    35.0700  -27.0900
            13  C1y C    36.2600  -26.3900
            14  O7x O    37.4500  -27.0900
            15  C7x C    38.7100  -26.3900
            16  C1y C    38.7100  -24.9900
            17  C1y C    31.4300  -26.3900
            18  N1x N    32.6200  -27.0900
            19  C1b C    39.9000  -24.2900
            20  C1b C    41.0900  -24.9900
            21  C5a C    42.2800  -24.2900
            22  N1a N    43.5400  -24.9900
            23  O5a O    42.2800  -22.8900
            24  O7x O    39.9000  -27.0900
            25  O5x O    38.7100  -22.1900
            26  C1a C    36.2600  -20.7900
            27  O5x O    33.8100  -20.7900
            28  C1a C    31.4300  -22.1900
            29  O5x O    30.1700  -24.2900
            30  C1b C    30.1700  -27.0900
            31  C1c C    28.9800  -26.4600
            32  C1a C    27.7900  -27.0900
            33  C1a C    28.9800  -24.9900
            34  N1c N    35.0700  -28.4900
            35  C1a C    33.8100  -29.2600
            36  C5a C    36.2600  -29.1900
            37  C2b C    37.4500  -28.4900
            38  O5a O    36.2600  -30.5900
            39  C2b C    38.6400  -29.1900
            40  C2b C    39.8300  -28.4900
            41  C2b C    41.0200  -29.1900
            42  C2b C    42.2800  -28.4900
            43  C2b C    43.4700  -29.1900
            44  C2b C    44.6600  -28.4900
            45  C2b C    45.9200  -29.1900
            46  C2b C    47.1100  -28.4900
            47  C2b C    48.3000  -29.1900
            48  C2b C    49.5600  -28.4900
            49  C2b C    50.7500  -29.1900
            50  C2b C    51.9400  -28.4900
            51  C2b C    53.2000  -29.1900
            52  C2b C    54.3900  -28.5600
            53  C2b C    55.5759  -29.3040
            54  C1a C    56.8055  -28.6532
BOND        54
            1     1   2 1
            2     2   3 1
            3     5   6 1
            4     3   6 1
            5     8   9 1
            6     9  10 1
            7     5  10 1
            8     4  11 2
            9    11  12 1
            10   12  13 1
            11   13   7 1 #Up
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16   8 1
            16    1  17 1
            17   17  18 1
            18   11  18 1
            19   16  19 1 #Up
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   21  23 2
            24   15  24 2
            25    9  25 2
            26   10  26 1 #Up
            27    6  27 2
            28    3  28 1 #Up
            29    1  29 2
            30   17  30 1 #Up
            31   30  31 1
            32   31  32 1
            33   31  33 1
            34   12  34 1 #Down
            35   34  35 1
            36   34  36 1
            37   36  37 1
            38   36  38 2
            39   37  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   42  43 2
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   50  51 2
            52   51  52 1
            53   52  53 2
            54   53  54 1


entry: C15717
name: --- - ECO 02301
formula: C70H108N2O20
kcf:
ATOM        92
            1   C1b C     6.5810  -28.1436
            2   C1b C     7.7935  -27.4435
            3   C1b C     9.0062  -28.1436
            4   C1c C    10.2188  -27.4435
            5   C1b C    11.4314  -28.1436
            6   C1c C    12.6440  -27.4435
            7   C1b C    13.8566  -28.1436
            8   C2b C    15.0692  -27.4435
            9   C2b C    16.2819  -28.1436
            10  C1c C    17.4945  -27.4435
            11  C1b C    18.7071  -28.1436
            12  C1c C    19.9197  -27.4435
            13  C1b C    21.1323  -28.1436
            14  C1c C    22.3450  -27.4435
            15  C1b C    23.5575  -28.1436
            16  C1c C    24.7701  -27.4435
            17  C1b C    25.9828  -28.1436
            18  C2b C    27.1954  -27.4435
            19  C2b C    28.4079  -28.1436
            20  C1c C    29.6206  -27.4435
            21  C1b C    30.8332  -28.1436
            22  C1c C    32.0458  -27.4435
            23  C1b C    33.2585  -28.1436
            24  C1c C    34.4710  -27.4435
            25  C1b C    35.6837  -28.1436
            26  C5a C    36.8963  -27.4435
            27  C1c C    38.1089  -28.1436
            28  C1c C    39.3215  -27.4435
            29  C1b C    40.5341  -28.1436
            30  C2b C    41.7467  -27.4435
            31  C2b C    42.9594  -28.1436
            32  C2b C    44.1720  -27.4435
            33  C2b C    45.3845  -28.1436
            34  C2b C    46.5972  -27.4435
            35  C2b C    47.8098  -28.1436
            36  C2b C    49.0224  -27.4435
            37  C2b C    50.2350  -28.1436
            38  C2b C    51.4476  -27.4435
            39  C2b C    52.6603  -28.1436
            40  C1c C    53.8729  -27.4435
            41  C1c C    55.0855  -28.1436
            42  C1c C    56.2981  -27.4435
            43  N1a N     5.3684  -27.4435
            44  O1a O    10.2188  -26.0433
            45  O1a O    12.6440  -26.0436
            46  O1a O    17.4945  -26.0433
            47  O1a O    19.9197  -26.0437
            48  O1a O    22.3450  -26.0433
            49  O1a O    24.7701  -26.0434
            50  O1a O    29.6206  -26.0433
            51  O1a O    32.0458  -26.0434
            52  O1a O    34.4710  -26.0435
            53  O5a O    36.8963  -26.0433
            54  C1a C    38.1089  -29.5436
            55  O2a O    39.3215  -26.0435
            56  C1y C    40.5522  -25.3327
            57  O2x O    41.7571  -26.0283
            58  C1y C    42.9697  -25.3281
            59  C1y C    42.9696  -23.9279
            60  C1y C    41.7648  -23.2324
            61  C1y C    40.5522  -23.9325
            62  O1a O    53.8729  -26.0437
            63  C1a C    55.0855  -29.5437
            64  C1c C    57.5008  -28.1436
            65  C2b C    58.7135  -27.4435
            66  C2b C    59.9261  -28.1436
            67  C1b C    61.1386  -27.4435
            68  C1b C    62.3513  -28.1436
            69  C2b C    63.5639  -27.4435
            70  C2b C    64.7765  -28.1436
            71  C2b C    65.9891  -27.4435
            72  C2b C    67.2017  -28.1436
            73  C2b C    68.4144  -27.4435
            74  C2b C    69.6270  -28.1436
            75  C2b C    70.8396  -27.4435
            76  C2b C    72.0522  -28.1436
            77  C5a C    73.2648  -27.4435
            78  N1b N    74.4774  -28.1436
            79  O1a O    56.3005  -26.0434
            80  C1a C    57.4984  -29.5437
            81  O5a O    73.2648  -26.0437
            82  C2y C    75.7001  -27.4376
            83  C2y C    76.9655  -28.0011
            84  C1x C    77.8924  -26.9717
            85  C1x C    77.1999  -25.7722
            86  C5x C    75.8450  -26.0601
            87  O1a O    77.2559  -29.3680
            88  O5x O    74.7830  -25.1037
            89  C1a C    44.2014  -26.0390
            90  O1a O    44.1880  -23.2243
            91  O1a O    41.7649  -21.8430
            92  O1a O    39.3320  -23.2280
BOND        93
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 1
            11   11  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 2
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32   32  33 2
            33   33  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   38  39 2
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42    1  43 1
            43    4  44 1
            44    6  45 1
            45   10  46 1
            46   12  47 1
            47   14  48 1
            48   16  49 1
            49   20  50 1
            50   22  51 1
            51   24  52 1
            52   26  53 2
            53   27  54 1
            54   28  55 1
            55   56  55 1 #Up
            56   56  57 1
            57   57  58 1
            58   58  59 1
            59   59  60 1
            60   60  61 1
            61   56  61 1
            62   40  62 1
            63   41  63 1
            64   42  64 1
            65   64  65 1
            66   65  66 2
            67   66  67 1
            68   67  68 1
            69   68  69 1
            70   69  70 2
            71   70  71 1
            72   71  72 2
            73   72  73 1
            74   73  74 2
            75   74  75 1
            76   75  76 2
            77   76  77 1
            78   77  78 1
            79   42  79 1
            80   64  80 1
            81   77  81 2
            82   78  82 1
            83   82  83 2
            84   83  84 1
            85   84  85 1
            86   85  86 1
            87   82  86 1
            88   83  87 1
            89   86  88 2
            90   58  89 1 #Down
            91   59  90 1 #Up
            92   60  91 1 #Down
            93   61  92 1 #Down


entry: C15718
name: --- - Pyoverdine I
formula: C55H83N17O22
kcf:
ATOM        94
            1   C1y C    51.9374  -26.0854
            2   C1x C    53.1521  -25.3841
            3   C1x C    54.3668  -26.0854
            4   C1x C    55.5815  -25.3841
            5   C1x C    56.7983  -26.0866
            6   N1x N    56.7983  -27.4892
            7   C5x C    51.9374  -27.4880
            8   N1x N    50.7227  -28.1893
            9   C5x C    57.9960  -28.1808
            10  C1y C    50.7227  -29.5920
            11  C1y C    57.9960  -29.5834
            12  C5x C    51.9598  -30.2933
            13  N1x N    53.1746  -29.5920
            14  C1y C    54.3893  -30.2933
            15  C5x C    55.6039  -29.5920
            16  N1x N    56.8187  -30.2933
            17  O5x O    53.1521  -28.1893
            18  N1b N    50.7227  -25.3841
            19  C5a C    49.5080  -26.0854
            20  C1c C    48.2933  -25.3841
            21  N1b N    47.0786  -26.0854
            22  C5a C    45.8639  -25.3841
            23  C1c C    44.6492  -26.0854
            24  N1b N    43.4345  -25.3841
            25  O5x O    59.1864  -27.4934
            26  C1c C    59.1999  -30.2637
            27  O5x O    55.6039  -28.1894
            28  C1b C    49.5277  -30.2884
            29  O5x O    51.9653  -31.6956
            30  C1c C    54.3893  -31.6959
            31  O1a O    55.6060  -32.3984
            32  C1a C    53.1766  -32.3960
            33  O1a O    60.4175  -29.5453
            34  C1a C    59.2128  -31.6958
            35  C1b C    48.3314  -29.6040
            36  C1b C    47.1467  -30.2944
            37  N1c N    45.9452  -29.6070
            38  C4a C    44.7630  -30.2958
            39  O1b O    45.9452  -28.2044
            40  O4a O    44.6985  -31.6958
            41  O5a O    49.5080  -27.4878
            42  C1b C    48.2933  -23.9815
            43  C1b C    47.0765  -23.2790
            44  C1b C    47.0765  -21.8764
            45  N1c N    45.8788  -21.1848
            46  C4a C    45.8788  -19.7821
            47  O1b O    44.6884  -21.8721
            48  O4a O    47.1176  -19.0668
            49  O5a O    45.8639  -23.9818
            50  C1b C    44.6492  -27.4880
            51  O1a O    43.4304  -28.1916
            52  C5a C    42.2369  -26.0854
            53  C1c C    41.0221  -25.3841
            54  N1b N    39.8075  -26.0854
            55  C5a C    38.5928  -25.3841
            56  C1c C    37.3780  -26.0854
            57  N1b N    36.1634  -25.3841
            58  C5a C    34.9487  -26.0854
            59  C1y C    33.7339  -25.3841
            60  O5a O    42.2412  -27.4879
            61  C1b C    41.0221  -23.9817
            62  C1b C    39.7886  -23.2694
            63  C1b C    39.7886  -21.8667
            64  N1b N    38.5907  -21.1751
            65  C2c C    38.5906  -19.7738
            66  N1a N    37.3924  -19.0819
            67  N2a N    39.8217  -19.0628
            68  O5a O    38.5928  -23.9816
            69  C1b C    37.3780  -27.4877
            70  O1a O    36.1425  -28.2014
            71  O5a O    34.9487  -27.4879
            72  C1x C    33.7339  -23.9818
            73  C1x C    32.5193  -23.2805
            74  N2x N    31.3045  -23.9818
            75  C8y C    31.3045  -25.3841
            76  N4y N    32.5193  -26.0854
            77  C8y C    30.0898  -26.0854
            78  C8x C    30.0898  -27.4880
            79  C8y C    31.3046  -28.1893
            80  C8y C    32.5193  -27.4880
            81  N1b N    28.8504  -25.3695
            82  C5a C    27.6399  -26.0681
            83  C1b C    26.4569  -25.3849
            84  C1b C    25.2597  -26.0759
            85  O5a O    27.6392  -27.4876
            86  C6a C    24.0702  -25.3888
            87  O6a O    22.8765  -26.0780
            88  O6a O    24.0703  -23.9817
            89  C8x C    31.3046  -29.5920
            90  C8y C    32.5193  -30.2933
            91  C8y C    33.7339  -29.5920
            92  C8x C    33.7339  -28.1893
            93  O1a O    32.5193  -31.6959
            94  O1a O    34.9255  -30.2802
BOND        97
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   7 1
            7     7   8 1
            8     6   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16    7  17 2
            17    1  18 1 #Up
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24    9  25 2
            25   16  11 1
            26   11  26 1
            27   15  27 2
            28   10  28 1 #Down
            29   12  29 2
            30   14  30 1
            31   30  31 1 #Down
            32   30  32 1
            33   26  33 1 #Down
            34   26  34 1
            35   28  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   37  39 1
            40   38  40 2
            41   19  41 2
            42   20  42 1 #Up
            43   42  43 1
            44   43  44 1
            45   44  45 1
            46   45  46 1
            47   45  47 1
            48   46  48 2
            49   22  49 2
            50   23  50 1 #Up
            51   50  51 1
            52   24  52 1
            53   52  53 1
            54   53  54 1
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   57  58 1
            59   59  58 1 #Up
            60   52  60 2
            61   53  61 1 #Up
            62   61  62 1
            63   62  63 1
            64   63  64 1
            65   64  65 1
            66   65  66 1
            67   65  67 2
            68   55  68 2
            69   56  69 1 #Up
            70   69  70 1
            71   58  71 2
            72   59  72 1
            73   72  73 1
            74   73  74 1
            75   74  75 2
            76   59  76 1
            77   75  76 1
            78   75  77 1
            79   77  78 2
            80   78  79 1
            81   79  80 2
            82   76  80 1
            83   77  81 1
            84   81  82 1
            85   82  83 1
            86   83  84 1
            87   82  85 2
            88   84  86 1
            89   86  87 1
            90   86  88 2
            91   79  89 1
            92   89  90 2
            93   90  91 1
            94   91  92 2
            95   80  92 1
            96   90  93 1
            97   91  94 1


entry: C15719
name: --- - Coelichelin
formula: C21H39N7O11
kcf:
ATOM        39
            1   N1c N    24.4300  -26.6000
            2   C4a C    24.4300  -28.0000
            3   O4a O    25.6424  -28.7000
            4   O1b O    25.6424  -25.9000
            5   C1b C    24.4300  -23.8000
            6   C1b C    23.2176  -24.5000
            7   C1b C    23.2176  -25.9000
            8   N1b N    26.8549  -22.4000
            9   C5a C    25.6424  -21.7000
            10  C1c C    24.4300  -22.4000
            11  O5a O    29.2797  -23.8000
            12  C5a C    29.2797  -22.4000
            13  C1c C    28.0673  -21.7000
            14  O1b O    31.7046  -22.4000
            15  N1c N    30.4922  -21.7000
            16  C1b C    32.9170  -20.3000
            17  C1b C    31.7046  -19.6000
            18  C1b C    30.4922  -20.3000
            19  O5a O    34.1295  -22.4000
            20  C5a C    35.3419  -21.7000
            21  N1b N    35.3419  -20.3000
            22  C1c C    34.1295  -19.6000
            23  C1b C    36.5544  -23.8000
            24  C1c C    36.5544  -22.4000
            25  O1b O    35.3419  -25.9000
            26  N1c N    36.5544  -26.6000
            27  C1b C    37.7668  -25.9000
            28  C1b C    37.7668  -24.5000
            29  O4a O    35.3419  -28.7000
            30  C4a C    36.5544  -28.0000
            31  N1a N    23.2176  -21.7000
            32  O5a O    25.6424  -20.3002
            33  C1c C    28.0673  -20.3000
            34  O1a O    29.2818  -19.5988
            35  C1a C    26.8569  -19.6012
            36  C6a C    34.1295  -18.2003
            37  O6a O    35.3648  -17.4869
            38  O6a O    32.9400  -17.5133
            39  N1a N    37.7560  -21.7062
BOND        38
            1     1   2 1
            2     2   3 2
            3     1   4 1
            4     5   6 1
            5     6   7 1
            6     1   7 1
            7     8   9 1
            8     9  10 1
            9     5  10 1
            10   11  12 2
            11   12  13 1
            12   13   8 1 #Down
            13   14  15 1
            14   12  15 1
            15   16  17 1
            16   17  18 1
            17   15  18 1
            18   19  20 2
            19   20  21 1
            20   21  22 1
            21   16  22 1
            22   23  24 1
            23   20  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   23  28 1
            28   29  30 2
            29   26  30 1
            30   10  31 1 #Up
            31    9  32 2
            32   13  33 1
            33   33  34 1
            34   33  35 1 #Up
            35   22  36 1 #Up
            36   36  37 1
            37   36  38 2
            38   24  39 1 #Down


entry: C15720
name: --- - Lyngbyatoxin
formula: C27H39N3O2
kcf:
ATOM        32
            1   C8x C    23.0300  -19.5300
            2   C8x C    23.0300  -20.9300
            3   C8y C    24.2424  -21.6300
            4   C8y C    25.4549  -20.9300
            5   C8y C    25.4549  -19.5300
            6   C8y C    24.2424  -18.8300
            7   N4x N    26.6673  -21.6300
            8   C8x C    27.8797  -20.9300
            9   C8y C    27.8797  -19.5300
            10  N1y N    24.2424  -17.4302
            11  C1a C    23.0132  -16.7203
            12  C1y C    25.4380  -16.7398
            13  C5x C    26.6252  -17.4252
            14  C1c C    25.4382  -15.3303
            15  N1x N    27.8166  -16.7372
            16  O5x O    26.6253  -18.8298
            17  C1y C    29.0059  -17.4239
            18  C1b C    30.1962  -16.7366
            19  C1x C    29.0061  -18.8298
            20  O1a O    31.3861  -17.4236
            21  C1a C    26.6295  -14.6424
            22  C1a C    24.2047  -14.6178
            23  C1d C    24.2424  -23.0298
            24  C2b C    23.0076  -23.7300
            25  C1b C    25.4324  -23.7300
            26  C1b C    26.6449  -23.0300
            27  C2b C    27.8573  -23.7300
            28  C2c C    29.0697  -23.0300
            29  C1a C    23.0300  -22.3298
            30  C1a C    30.2673  -23.7215
            31  C1a C    29.0697  -21.6301
            32  C2a C    21.6076  -23.7300
BOND        34
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    6  10 1
            12   10  11 1
            13   10  12 1
            14   12  13 1
            15   12  14 1
            16   13  15 1
            17   13  16 2
            18   15  17 1
            19   17  18 1
            20   17  19 1
            21   19   9 1
            22   18  20 1
            23   14  21 1
            24   14  22 1
            25    3  23 1
            26   23  24 1
            27   23  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   23  29 1
            32   28  30 1
            33   28  31 1
            34   24  32 2


entry: C15721
name: --- - Triostin A
formula: C50H62N12O12S2
kcf:
ATOM        76
            1   C7x C    23.9400  -21.2100
            2   O7x O    23.9400  -22.6100
            3   C1x C    25.1524  -23.3100
            4   C1a C    26.3649  -22.6100
            5   N1y N    26.3649  -21.2100
            6   C1y C    25.1524  -20.5100
            7   C1x C    28.7897  -22.6100
            8   C1y C    28.7897  -21.2100
            9   C5x C    27.5773  -20.5100
            10  S3x S    30.0022  -23.3100
            11  O5x O    31.2146  -22.6100
            12  C5x C    31.2146  -21.2100
            13  N1y N    30.0022  -20.5100
            14  O5x O    32.4270  -23.3100
            15  C5x C    33.6395  -22.6100
            16  N1x N    33.6395  -21.2100
            17  C1y C    32.4270  -20.5100
            18  S3x S    30.0022  -24.7100
            19  C1x C    31.2146  -25.4100
            20  O5x O    27.5773  -24.7100
            21  O5x O    28.7898  -25.4100
            22  C1y C    25.1525  -24.7101
            23  C5x C    26.3649  -25.4100
            24  C1a C    33.6394  -25.4100
            25  C1x C    34.8519  -24.7100
            26  C1y C    34.8519  -23.3100
            27  N1y N    33.6394  -26.8100
            28  C1y C    34.8519  -27.5100
            29  C7x C    36.0643  -26.8100
            30  O7x O    36.0643  -25.4100
            31  C1y C    31.2146  -26.8100
            32  C5x C    32.4270  -27.5100
            33  C5x C    28.7897  -26.8099
            34  N1y N    30.0021  -27.5100
            35  N1x N    26.3648  -26.8098
            36  C1y C    27.5772  -27.5099
            37  C1a C    27.5771  -28.9100
            38  C1a C    30.0020  -28.9097
            39  O5x O    32.4270  -28.9099
            40  C1c C    34.8519  -28.9100
            41  C1a C    36.0704  -29.6135
            42  C1a C    33.6456  -29.6065
            43  O7x O    37.2660  -27.5038
            44  N1b N    36.0704  -22.6065
            45  C5a C    37.2689  -23.2986
            46  C8y C    38.4548  -22.6140
            47  O5a O    37.2691  -24.7097
            48  C1a C    32.4270  -19.1101
            49  C1a C    30.0022  -19.1103
            50  O5x O    27.5773  -19.1100
            51  C1c C    25.1524  -19.1102
            52  C1a C    23.9232  -18.4004
            53  C1a C    26.3480  -18.4198
            54  O7x O    22.7276  -20.5100
            55  N1b N    23.9234  -25.4200
            56  C5a C    22.7191  -24.7249
            57  C8y C    21.5364  -25.4079
            58  O5a O    22.7186  -23.3104
            59  N5x N    20.3426  -24.7187
            60  C8y C    19.1302  -25.4188
            61  C8y C    19.1302  -26.8188
            62  N5x N    20.3240  -27.5080
            63  C8x C    21.5364  -26.8079
            64  C8x C    17.9177  -24.7188
            65  C8x C    16.7053  -25.4188
            66  C8x C    16.7053  -26.8188
            67  C8x C    17.9178  -27.5188
            68  N5x N    39.6468  -23.3025
            69  C8y C    40.8593  -22.6026
            70  C8y C    40.8595  -21.2026
            71  N5x N    39.6675  -20.5142
            72  C8x C    38.4549  -21.2140
            73  C8x C    42.0716  -23.3028
            74  C8x C    43.2842  -22.6029
            75  C8x C    43.2844  -21.2029
            76  C8x C    42.0720  -20.5028
BOND        81
            1     1   2 1
            2     2   3 1
            3     4   5 1
            4     5   6 1
            5     1   6 1
            6     7   8 1
            7     8   9 1
            8     5   9 1
            9     7  10 1
            10   11  12 2
            11   12  13 1
            12    8  13 1
            13   14  15 2
            14   15  16 1
            15   16  17 1
            16   12  17 1
            17   10  18 1
            18   18  19 1
            19    3  22 1
            20   22  23 1
            21   20  23 2
            22   25  26 1
            23   26  15 1
            24   24  27 1
            25   27  28 1
            26   28  29 1
            27   29  30 1
            28   25  30 1
            29   19  31 1
            30   31  32 1
            31   27  32 1
            32   21  33 2
            33   33  34 1
            34   31  34 1
            35   23  35 1
            36   35  36 1
            37   33  36 1
            38   36  37 1 #Down
            39   34  38 1
            40   32  39 2
            41   28  40 1 #Down
            42   40  41 1
            43   40  42 1
            44   29  43 2
            45   26  44 1 #Down
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   17  48 1 #Down
            50   13  49 1
            51    9  50 2
            52    6  51 1 #Down
            53   51  52 1
            54   51  53 1
            55    1  54 2
            56   22  55 1 #Down
            57   55  56 1
            58   56  57 1
            59   56  58 2
            60   57  59 2
            61   59  60 1
            62   60  61 2
            63   61  62 1
            64   62  63 2
            65   57  63 1
            66   60  64 1
            67   64  65 2
            68   65  66 1
            69   66  67 2
            70   61  67 1
            71   46  68 2
            72   68  69 1
            73   69  70 2
            74   70  71 1
            75   71  72 2
            76   46  72 1
            77   69  73 1
            78   73  74 2
            79   74  75 1
            80   75  76 2
            81   70  76 1


entry: C15722
name: --- - Quinomycin A - Echinomycin
formula: C51H64N12O12S2
kcf:
ATOM        77
            1   C7x C    35.6239  -22.9046
            2   O7x O    35.6239  -24.2898
            3   C1x C    36.8705  -24.9824
            4   C1a C    38.0480  -24.2898
            5   N1y N    38.0480  -22.9046
            6   C1y C    36.8705  -22.2120
            7   C1y C    40.4721  -22.9046
            8   C5x C    39.2254  -22.2120
            9   O5x O    42.8269  -24.2898
            10  C5x C    42.8269  -22.9046
            11  N1y N    41.6495  -22.2120
            12  O5x O    44.0736  -24.9824
            13  C5x C    45.2510  -24.2898
            14  N1x N    45.2510  -22.9046
            15  C1y C    44.0736  -22.2120
            16  O5x O    39.2254  -26.3676
            17  O5x O    40.4721  -27.0602
            18  C1y C    36.8705  -26.3676
            19  C5x C    38.0480  -27.0602
            20  C1a C    45.2510  -27.0602
            21  C1x C    46.4284  -26.3676
            22  C1y C    46.4284  -24.9824
            23  N1y N    45.2510  -28.4454
            24  C1y C    46.4284  -29.1380
            25  C7x C    47.6751  -28.4454
            26  O7x O    47.6751  -27.0602
            27  C1y C    42.8269  -28.4454
            28  C5x C    44.0736  -29.1380
            29  C5x C    40.4721  -28.4454
            30  N1y N    41.6495  -29.1380
            31  N1x N    38.0480  -28.4454
            32  C1y C    39.2254  -29.1380
            33  C1a C    39.2254  -30.5924
            34  C1a C    41.6495  -30.5924
            35  O5x O    44.0736  -30.5924
            36  C1c C    46.4284  -30.5924
            37  C1a C    47.6751  -31.2850
            38  C1a C    45.2510  -31.2158
            39  O7x O    48.8525  -29.1380
            40  N1b N    47.6751  -24.2898
            41  C5a C    48.8525  -24.9824
            42  C8y C    50.0299  -24.2898
            43  O5a O    48.8525  -26.3676
            44  C1a C    44.0736  -20.8268
            45  C1a C    41.6495  -20.8268
            46  O5x O    39.2254  -20.8268
            47  C1c C    36.8705  -20.8268
            48  C1a C    35.6239  -20.1342
            49  C1a C    38.0480  -20.1342
            50  O7x O    34.4465  -22.2120
            51  N1b N    35.6239  -27.1294
            52  C5a C    34.4465  -26.4368
            53  C8y C    33.2690  -27.0602
            54  O5a O    34.4465  -24.9824
            55  N5x N    32.0916  -26.4368
            56  C8y C    30.9142  -27.1294
            57  C8y C    30.9142  -28.5146
            58  N5x N    32.0916  -29.1380
            59  C8x C    33.2690  -28.4454
            60  C8x C    29.6675  -26.4368
            61  C8x C    28.4901  -27.1294
            62  C8x C    28.4901  -28.5146
            63  C8x C    29.6675  -29.2072
            64  N5x N    51.2073  -24.9824
            65  C8y C    52.3847  -24.2898
            66  C8y C    52.3847  -22.9046
            67  N5x N    51.2073  -22.2120
            68  C8x C    50.0299  -22.9046
            69  C8x C    53.6314  -24.9824
            70  C8x C    54.8088  -24.2898
            71  C8x C    54.8088  -22.9046
            72  C8x C    53.6314  -22.2120
            73  C1x C    40.4721  -24.2898
            74  C1y C    42.8269  -27.0602
            75  S2x S    42.0179  -25.2594
            76  S2a S    44.2121  -27.0602
            77  C1a C    44.7662  -25.8606
BOND        82
            1     1   2 1
            2     2   3 1
            3     4   5 1
            4     5   6 1
            5     1   6 1
            6     7   8 1
            7     5   8 1
            8     9  10 2
            9    10  11 1
            10    7  11 1
            11   12  13 2
            12   13  14 1
            13   14  15 1
            14   10  15 1
            15    3  18 1
            16   18  19 1
            17   16  19 2
            18   21  22 1
            19   22  13 1
            20   20  23 1
            21   23  24 1
            22   24  25 1
            23   25  26 1
            24   21  26 1
            25   27  28 1
            26   23  28 1
            27   17  29 2
            28   29  30 1
            29   27  30 1
            30   19  31 1
            31   31  32 1
            32   29  32 1
            33   32  33 1
            34   30  34 1
            35   28  35 2
            36   24  36 1
            37   36  37 1
            38   36  38 1
            39   25  39 2
            40   22  40 1 #Down
            41   40  41 1
            42   41  42 1
            43   41  43 2
            44   15  44 1
            45   11  45 1
            46    8  46 2
            47    6  47 1
            48   47  48 1
            49   47  49 1
            50    1  50 2
            51   18  51 1 #Down
            52   51  52 1
            53   52  53 1
            54   52  54 2
            55   53  55 2
            56   55  56 1
            57   56  57 2
            58   57  58 1
            59   58  59 2
            60   53  59 1
            61   56  60 1
            62   60  61 2
            63   61  62 1
            64   62  63 2
            65   57  63 1
            66   42  64 2
            67   64  65 1
            68   65  66 2
            69   66  67 1
            70   67  68 2
            71   42  68 1
            72   65  69 1
            73   69  70 2
            74   70  71 1
            75   71  72 2
            76   66  72 1
            77    7  73 1
            78   27  74 1
            79   73  75 1
            80   75  74 1
            81   74  76 1
            82   76  77 1


entry: C15723
name: --- - Nostocyclopeptide A1
formula: C37H56N8O9
kcf:
ATOM        54
            1   C1y C    15.2600  -16.6600
            2   N1y N    15.2600  -18.0600
            3   C5x C    16.4724  -18.7600
            4   O5x O    17.6849  -18.0600
            5   O5x O    17.6849  -16.6600
            6   C5x C    16.4724  -15.9600
            7   C1y C    16.4724  -20.1600
            8   N1x N    17.6849  -20.8600
            9   C5x C    18.8973  -20.1600
            10  O5x O    18.8973  -18.7600
            11  C1y C    20.1097  -20.8600
            12  N1x N    21.3222  -20.1600
            13  C5x C    22.5346  -20.8600
            14  C1y C    23.7470  -20.1600
            15  N1x N    23.7470  -18.7600
            16  C5x C    24.9595  -18.0600
            17  C1x C    24.9595  -16.6600
            18  N1x N    23.7470  -15.9600
            19  C5x C    23.7470  -14.5600
            20  C1y C    22.5346  -13.8600
            21  N2x N    21.3222  -14.5600
            22  C1y C    17.6849  -13.8600
            23  N1x N    16.4724  -14.5600
            24  C2x C    19.0849  -13.8600
            25  C1c C    20.1097  -22.2599
            26  C1a C    18.8825  -22.9685
            27  C1b C    21.3074  -22.9514
            28  C1a C    21.3074  -24.3514
            29  O5x O    22.5346  -22.2600
            30  C1b C    24.9466  -20.8527
            31  C1b C    26.1359  -20.1660
            32  C5a C    27.3262  -20.8534
            33  N1a N    28.5161  -20.1664
            34  O5a O    27.3263  -22.2598
            35  O5x O    26.1946  -18.7734
            36  O5x O    24.9466  -13.8673
            37  C1b C    22.5346  -12.4600
            38  C8y C    23.7511  -11.7577
            39  C8x C    24.9486  -12.4492
            40  C8x C    26.1611  -11.7493
            41  C8y C    26.1613  -10.3493
            42  C8x C    24.9637   -9.6578
            43  C8x C    23.7512  -10.3577
            44  O1a O    27.3830   -9.6440
            45  C1b C    17.3244  -12.5142
            46  C1c C    15.9443  -12.1437
            47  C1a C    14.9785  -13.1083
            48  C1a C    15.5750  -10.7640
            49  C1b C    15.2433  -20.8698
            50  O1a O    14.0392  -20.1747
            51  C1x C    13.9285  -16.2274
            52  C1y C    13.1056  -17.3600
            53  C1x C    13.9285  -18.4926
            54  C1a C    11.6900  -17.3600
BOND        56
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     5   6 2
            5     1   6 1
            6     3   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10    9  11 1
            11   11  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   20  21 1
            21   22  23 1
            22    6  23 1
            23   22  24 1
            24   24  21 2
            25   11  25 1
            26   25  26 1 #Down
            27   25  27 1
            28   27  28 1
            29   13  29 2
            30   14  30 1 #Down
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   32  34 2
            35   16  35 2
            36   19  36 2
            37   20  37 1 #Up
            38   37  38 1
            39   38  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   42  43 2
            44   38  43 1
            45   41  44 1
            46   22  45 1 #Up
            47   45  46 1
            48   46  47 1
            49   46  48 1
            50    7  49 1 #Up
            51   49  50 1
            52    1  51 1
            53   51  52 1
            54   52  53 1
            55    2  53 1
            56   52  54 1 #Up


entry: C15724
name: --- - Nostocyclopeptide A2
formula: C40H54N8O9
kcf:
ATOM        57
            1   C1y C    36.8900  -25.3400
            2   N1y N    36.8900  -26.7400
            3   C5x C    38.0800  -27.4400
            4   O5x O    39.2700  -26.7400
            5   O5x O    39.2700  -25.3400
            6   C5x C    38.0800  -24.7100
            7   C1y C    38.0800  -28.8400
            8   N1x N    39.2700  -29.5400
            9   C5x C    40.4600  -28.8400
            10  O5x O    40.4600  -27.4400
            11  C1y C    41.6500  -29.5400
            12  N1x N    42.8400  -28.8400
            13  C5x C    44.0300  -29.5400
            14  C1y C    45.2900  -28.8400
            15  N1x N    45.2900  -27.4400
            16  C5x C    46.4800  -26.7400
            17  C1x C    46.4800  -25.3400
            18  N1x N    45.2900  -24.7100
            19  C5x C    45.2900  -23.3100
            20  C1y C    44.0300  -22.6100
            21  N2x N    42.8400  -23.3100
            22  C1y C    39.2700  -22.6100
            23  N1x N    38.0800  -23.3100
            24  C2x C    40.6700  -22.6100
            25  C1c C    41.6500  -30.9400
            26  C1a C    40.4600  -31.6400
            27  C1b C    42.8400  -31.5700
            28  C1a C    42.8400  -32.9700
            29  O5x O    44.0300  -30.9400
            30  C1b C    46.4800  -29.5400
            31  C1b C    47.6000  -28.8400
            32  C5a C    48.7900  -29.5400
            33  N1a N    49.9800  -28.8400
            34  O5a O    48.7900  -30.9400
            35  O5x O    47.6700  -27.4400
            36  O5x O    46.4800  -22.6100
            37  C1b C    44.0300  -21.2100
            38  C8y C    45.2900  -20.5100
            39  C8x C    46.4800  -21.2100
            40  C8x C    47.6700  -20.5100
            41  C8y C    47.6700  -19.1100
            42  C8x C    46.4800  -18.4100
            43  C8x C    45.2900  -19.1100
            44  O1a O    48.8600  -18.4100
            45  C1b C    38.9200  -21.2800
            46  C8y C    37.5200  -20.9300
            47  C1b C    36.8200  -29.5400
            48  O1a O    35.6300  -28.8400
            49  C1x C    35.5600  -24.9200
            50  C1y C    34.7200  -26.0400
            51  C1x C    35.5600  -27.1600
            52  C1a C    33.3200  -26.0400
            53  C8x C    37.1350  -19.5840
            54  C8x C    35.7768  -19.2444
            55  C8x C    34.8036  -20.2509
            56  C8x C    35.1886  -21.5969
            57  C8x C    36.5468  -21.9365
BOND        60
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     5   6 2
            5     1   6 1
            6     3   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10    9  11 1
            11   11  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   20  21 1
            21   22  23 1
            22    6  23 1
            23   22  24 1
            24   24  21 2
            25   11  25 1
            26   25  26 1 #Down
            27   25  27 1
            28   27  28 1
            29   13  29 2
            30   14  30 1 #Down
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   32  34 2
            35   16  35 2
            36   19  36 2
            37   20  37 1 #Up
            38   37  38 1
            39   38  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   42  43 2
            44   38  43 1
            45   41  44 1
            46   22  45 1 #Up
            47   45  46 1
            48    7  47 1 #Up
            49   47  48 1
            50    1  49 1
            51   49  50 1
            52   50  51 1
            53    2  51 1
            54   50  52 1 #Up
            55   46  53 2
            56   53  54 1
            57   54  55 2
            58   55  56 1
            59   56  57 2
            60   46  57 1


entry: C15725
name: --- - Nostocyclopeptide A3
formula: C41H56N8O9
kcf:
ATOM        58
            1   C1y C    36.9600  -25.3400
            2   N1y N    36.9600  -26.7400
            3   C5x C    38.0800  -27.4400
            4   O5x O    39.2700  -26.7400
            5   O5x O    39.2700  -25.3400
            6   C5x C    38.0800  -24.7100
            7   C1y C    38.0800  -28.8400
            8   N1x N    39.2700  -29.5400
            9   C5x C    40.4600  -28.8400
            10  O5x O    40.4600  -27.4400
            11  C1y C    41.6500  -29.5400
            12  N1x N    42.8400  -28.8400
            13  C5x C    44.0300  -29.5400
            14  C1y C    45.2900  -28.8400
            15  N1x N    45.2900  -27.4400
            16  C5x C    46.4800  -26.7400
            17  C1x C    46.4800  -25.3400
            18  N1x N    45.2900  -24.7100
            19  C5x C    45.2900  -23.3100
            20  C1y C    44.0300  -22.6100
            21  N2x N    42.8400  -23.3100
            22  C1y C    39.2700  -22.6100
            23  N1x N    38.0800  -23.3100
            24  C2x C    40.6700  -22.6100
            25  C1c C    41.6500  -30.9400
            26  C1a C    40.4600  -31.6400
            27  C1b C    42.8400  -31.5700
            28  C1a C    42.8400  -32.9700
            29  O5x O    44.0300  -30.9400
            30  C1b C    46.4800  -29.5400
            31  C1b C    47.6000  -28.8400
            32  C5a C    48.7900  -29.5400
            33  N1a N    49.9800  -28.8400
            34  O5a O    48.7900  -30.9400
            35  O5x O    47.6700  -27.4400
            36  O5x O    46.4800  -22.6100
            37  C1b C    44.0300  -21.2100
            38  C8y C    45.2900  -20.5100
            39  C8x C    46.4800  -21.2100
            40  C8x C    47.6700  -20.5100
            41  C8y C    47.6700  -19.1100
            42  C8x C    46.4800  -18.4100
            43  C8x C    45.2900  -19.1100
            44  O1a O    48.8600  -18.4100
            45  C1b C    38.9200  -21.2800
            46  C8y C    37.5200  -20.9300
            47  C1b C    36.8900  -29.5400
            48  O1a O    35.7000  -28.8400
            49  C1x C    35.6300  -24.9200
            50  C1y C    34.7900  -26.0400
            51  C1x C    35.6300  -27.1600
            52  C1a C    33.3900  -26.0400
            53  C8x C    37.1700  -19.6000
            54  C8x C    35.8400  -19.2500
            55  C8y C    34.8600  -20.2300
            56  C8x C    35.2100  -21.6300
            57  C8x C    36.6100  -21.9100
            58  C1a C    33.5108  -19.8563
BOND        61
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     5   6 2
            5     1   6 1
            6     3   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10    9  11 1
            11   11  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   20  21 1
            21   22  23 1
            22    6  23 1
            23   22  24 1
            24   24  21 2
            25   11  25 1
            26   25  26 1 #Down
            27   25  27 1
            28   27  28 1
            29   13  29 2
            30   14  30 1 #Down
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   32  34 2
            35   16  35 2
            36   19  36 2
            37   20  37 1 #Up
            38   37  38 1
            39   38  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   42  43 2
            44   38  43 1
            45   41  44 1
            46   22  45 1 #Up
            47   45  46 1
            48    7  47 1 #Up
            49   47  48 1
            50    1  49 1
            51   49  50 1
            52   50  51 1
            53    2  51 1
            54   50  52 1 #Up
            55   46  53 2
            56   53  54 1
            57   54  55 2
            58   55  56 1
            59   56  57 2
            60   46  57 1
            61   55  58 1


entry: C15726
name: --- - Zwittermicin A
formula: C13H28N6O8
kcf:
ATOM        27
            1   O1a O    17.5000  -21.4200
            2   C1b C    18.7124  -20.7200
            3   C1c C    19.9249  -21.4200
            4   C1c C    21.1373  -20.7200
            5   C1b C    22.3497  -21.4200
            6   C1c C    23.5622  -20.7200
            7   C1c C    24.7746  -21.4200
            8   C1c C    25.9870  -20.7200
            9   C1c C    27.1995  -21.4200
            10  C5a C    28.4119  -20.7200
            11  N1b N    29.6244  -21.4200
            12  C1c C    30.8368  -20.7200
            13  C1b C    32.0492  -21.4200
            14  N1b N    33.2617  -20.7200
            15  C5a C    34.4741  -21.4200
            16  N1a N    19.9249  -22.8198
            17  O1a O    21.1373  -19.3200
            18  O1a O    23.5622  -19.3203
            19  N1a N    24.7746  -22.8200
            20  O1a O    25.9870  -19.3201
            21  O1a O    27.1995  -22.8197
            22  O5a O    28.4119  -19.3200
            23  C5a C    30.8368  -19.3204
            24  N1a N    32.0741  -18.6057
            25  O5a O    29.6493  -18.6346
            26  N1a N    35.6607  -20.7345
            27  O5a O    34.4743  -22.8196
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    3  16 1
            16    4  17 1
            17    6  18 1
            18    7  19 1
            19    8  20 1
            20    9  21 1
            21   10  22 2
            22   12  23 1
            23   23  24 1
            24   23  25 2
            25   15  26 1
            26   15  27 2


entry: C15727
name: --- - Thiocoraline
formula: C48H56N10O12S6
kcf:
ATOM        76
            1   C1y C    20.7200  -21.6300
            2   C5x C    20.7200  -20.2300
            3   O5x O    21.9100  -19.5300
            4   S2x S    23.1700  -21.6300
            5   C1x C    21.9100  -22.3300
            6   C1a C    24.3600  -19.5300
            7   N1y N    25.5500  -20.2300
            8   C1y C    25.5500  -21.6300
            9   C5x C    24.3600  -22.3300
            10  N1x N    19.5300  -19.5300
            11  C1x C    19.5300  -18.1300
            12  C5x C    20.7200  -17.4300
            13  O5x O    21.9100  -18.1300
            14  C1x C    25.5500  -17.4300
            15  C1y C    26.8100  -18.1300
            16  C5x C    26.8100  -19.5300
            17  N1y N    20.7200  -16.0300
            18  C1y C    21.9100  -15.3300
            19  C1x C    23.1700  -16.0300
            20  S3x S    24.3600  -15.3300
            21  S3x S    25.5500  -16.0300
            22  O5x O    26.8100  -15.3300
            23  C5x C    28.0000  -16.0300
            24  N1y N    28.0000  -17.4300
            25  O5x O    26.8100  -13.9300
            26  C5x C    28.0000  -13.2300
            27  N1x N    29.1900  -13.9300
            28  C1x C    29.1900  -15.3300
            29  C1a C    24.3600  -13.9300
            30  C5x C    21.9100  -13.9300
            31  N1y N    23.1700  -13.2300
            32  C1y C    23.1700  -11.8300
            33  C5x C    24.3600  -11.1300
            34  S2x S    25.5500  -11.8300
            35  C1x C    26.8100  -11.1300
            36  C1y C    28.0000  -11.8300
            37  C1a C    19.5300  -15.3300
            38  O5x O    20.7200  -13.2300
            39  C1b C    21.9800  -11.1300
            40  S2a S    20.7900  -11.8300
            41  C1a C    19.6000  -11.1300
            42  O5x O    24.3600   -9.7300
            43  N1b N    29.1900  -11.1300
            44  C5a C    30.3800  -11.8300
            45  C8y C    31.5700  -11.1300
            46  O5a O    30.3800  -13.2300
            47  C1a C    29.1900  -18.1300
            48  O5x O    28.0000  -20.2300
            49  C1b C    26.7400  -22.3300
            50  S2a S    27.9300  -21.6300
            51  C1a C    29.1200  -22.3300
            52  O5x O    24.3600  -23.7300
            53  N1b N    19.5300  -22.3300
            54  C5a C    18.3400  -21.6300
            55  C8y C    17.1500  -22.3300
            56  O5a O    18.3400  -20.2300
            57  C8y C    14.7000  -22.3300
            58  C8y C    14.7000  -23.7300
            59  C8x C    15.8900  -24.4300
            60  C8y C    17.1500  -23.7300
            61  N5x N    15.8900  -21.6300
            62  C8x C    13.5100  -21.6300
            63  C8x C    12.2500  -22.3300
            64  C8x C    12.2500  -23.7300
            65  C8x C    13.5100  -24.4300
            66  C8y C    31.5700   -9.7300
            67  N5x N    32.7600  -11.8300
            68  C8y C    34.0200  -11.1300
            69  C8y C    34.0200   -9.7300
            70  C8x C    32.7600   -9.0300
            71  C8x C    35.2100  -11.8300
            72  C8x C    36.4000  -11.1300
            73  C8x C    36.4000   -9.7300
            74  C8x C    35.2100   -9.0300
            75  O1a O    18.3400  -24.4300
            76  O1a O    30.3800   -9.0300
BOND        81
            1     1   2 1
            2     2   3 2
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     4   9 1
            9     2  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 2
            13   14  15 1
            14   15  16 1
            15   16   7 1
            16   12  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  14 1
            22   22  23 2
            23   23  24 1
            24   24  15 1
            25   25  26 2
            26   26  27 1
            27   27  28 1
            28   23  28 1
            29   18  30 1
            30   30  31 1
            31   29  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   34  35 1
            36   35  36 1
            37   36  26 1
            38   17  37 1
            39   30  38 2
            40   32  39 1
            41   39  40 1
            42   40  41 1
            43   33  42 2
            44   36  43 1
            45   43  44 1
            46   44  45 1
            47   44  46 2
            48   24  47 1
            49   16  48 2
            50    8  49 1
            51   49  50 1
            52   50  51 1
            53    9  52 2
            54    1  53 1
            55   53  54 1
            56   54  55 1
            57   54  56 2
            58   57  58 2
            59   58  59 1
            60   59  60 2
            61   60  55 1
            62   55  61 2
            63   57  61 1
            64   57  62 1
            65   62  63 2
            66   63  64 1
            67   64  65 2
            68   58  65 1
            69   66  45 1
            70   45  67 2
            71   67  68 1
            72   68  69 2
            73   69  70 1
            74   66  70 2
            75   68  71 1
            76   71  72 2
            77   72  73 1
            78   73  74 2
            79   69  74 1
            80   60  75 1
            81   66  76 1


entry: C15728
name: --- - Chivosazole A
formula: C49H71NO12
kcf:
ATOM        62
            1   C8y C    14.7000  -20.5800
            2   C2x C    14.7000  -21.9800
            3   C2x C    15.8900  -22.6800
            4   C1a C    17.1500  -21.9800
            5   C2x C    15.8900  -24.0800
            6   C2x C    17.1500  -24.7800
            7   C1y C    18.3400  -24.0800
            8   C1y C    18.3400  -22.6800
            9   N5x N    15.8200  -19.7400
            10  C8y C    15.4000  -18.4100
            11  O2x O    14.0000  -18.4100
            12  C8x C    13.5800  -19.7400
            13  C1y C    16.2400  -17.2900
            14  C1y C    16.2400  -15.8900
            15  C1x C    17.4300  -15.1900
            16  C1y C    18.6900  -15.8900
            17  C2x C    19.8800  -15.1900
            18  C2x C    21.0700  -15.8900
            19  C2x C    22.3300  -15.1900
            20  C2x C    23.5200  -15.8900
            21  C2x C    24.7100  -15.1900
            22  C2x C    25.9700  -15.8900
            23  C1a C    17.5700  -17.7100
            24  O2a O    15.0500  -15.1900
            25  O1a O    18.6900  -17.2900
            26  C1y C    25.9700  -17.2900
            27  C1a C    24.7800  -17.9900
            28  C1y C    27.1600  -17.9900
            29  O7x O    27.1600  -19.3900
            30  C7x C    28.2100  -20.7200
            31  C2x C    19.0400  -21.4900
            32  C2y C    20.4400  -21.4900
            33  C1a C    21.1400  -22.6800
            34  C2x C    21.1400  -20.3000
            35  C2x C    22.5400  -20.3000
            36  C2x C    23.2400  -21.4900
            37  C2x C    24.6400  -21.4900
            38  C2x C    25.3400  -22.6800
            39  C2x C    26.7400  -22.6800
            40  O7x O    29.6099  -20.7026
            41  O2a O    19.5553  -24.7751
            42  C1c C    28.3724  -17.2900
            43  C1c C    29.5849  -17.9900
            44  C1b C    30.7973  -17.2900
            45  C1c C    32.0097  -17.9900
            46  C1a C    33.2222  -17.2900
            47  C1a C    28.3724  -15.8902
            48  O1a O    29.5849  -19.3898
            49  O1a O    32.0097  -19.3899
            50  C1a C    13.8319  -15.8801
            51  C1y C    19.5553  -26.1751
            52  C1y C    18.3218  -26.8874
            53  C1y C    18.3220  -28.2874
            54  C1y C    19.5345  -28.9872
            55  C1y C    20.7679  -28.2749
            56  O2x O    20.7678  -26.8749
            57  C1a C    21.9991  -28.9857
            58  O1a O    19.5346  -30.3800
            59  O2a O    17.1263  -28.9779
            60  C1a C    15.9326  -28.2887
            61  O2a O    17.1199  -26.1934
            62  C1a C    15.9359  -26.8771
BOND        64
            1     1   2 1
            2     2   3 2
            3     3   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 1
            7     4   8 1
            8     1   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12    1  12 2
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   13  23 1
            24   14  24 1
            25   16  25 1
            26   22  26 1
            27   26  27 1
            28   26  28 1
            29   28  29 1
            30   29  30 1
            31   31  32 2
            32   32  33 1
            33   32  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   38  39 2
            39   31   8 1
            40   30  39 1
            41   30  40 2
            42    7  41 1
            43   28  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   42  47 1
            49   43  48 1
            50   45  49 1
            51   24  50 1
            52   51  41 1 #Down
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   51  56 1
            59   55  57 1 #Down
            60   54  58 1 #Up
            61   53  59 1 #Down
            62   59  60 1
            63   52  61 1 #Up
            64   61  62 1


entry: C15729
name: --- - Chivosazole B
formula: C48H69NO12
kcf:
ATOM        61
            1   C8y C    25.7600  -23.0300
            2   C2x C    25.7600  -24.4300
            3   C2x C    26.9500  -25.1300
            4   C1a C    28.2100  -24.4300
            5   C2x C    26.9500  -26.5300
            6   C2x C    28.2100  -27.1600
            7   C1y C    29.4000  -26.5300
            8   C1y C    29.4000  -25.1300
            9   N5x N    26.8800  -22.1900
            10  C8y C    26.4600  -20.9300
            11  O2x O    25.0600  -20.9300
            12  C8x C    24.7100  -22.1900
            13  C1y C    27.3000  -19.8100
            14  C1y C    27.3000  -18.4100
            15  C1x C    28.4900  -17.7100
            16  C1y C    29.7500  -18.4100
            17  C2x C    30.8700  -17.7100
            18  C2x C    32.0600  -18.4100
            19  C2x C    33.3200  -17.7100
            20  C2x C    34.5100  -18.4100
            21  C2x C    35.6300  -17.7100
            22  C2x C    36.8900  -18.4100
            23  C1a C    28.6300  -20.2300
            24  O1a O    26.1100  -17.7100
            25  O1a O    29.7500  -19.8100
            26  C1y C    36.8900  -19.8100
            27  C1a C    35.7000  -20.5100
            28  C1y C    38.0800  -20.5100
            29  O7x O    38.0800  -21.8400
            30  C7x C    39.1300  -23.1700
            31  C2x C    30.1000  -23.9400
            32  C2y C    31.4300  -23.9400
            33  C1a C    32.1300  -25.1300
            34  C2x C    32.1300  -22.7500
            35  C2x C    33.5300  -22.7500
            36  C2x C    34.2300  -23.9400
            37  C2x C    35.5600  -23.9400
            38  C2x C    36.2600  -25.1300
            39  C2x C    37.6600  -25.1300
            40  O7x O    40.5300  -23.1700
            41  O2a O    30.5900  -27.1600
            42  C1c C    39.2700  -19.8100
            43  C1c C    40.4600  -20.5100
            44  C1b C    41.6500  -19.8100
            45  C1c C    42.8400  -20.5100
            46  C1a C    44.1000  -19.8100
            47  C1a C    39.2700  -18.4100
            48  O1a O    40.4600  -21.8400
            49  O1a O    42.8400  -21.8400
            50  C1y C    30.5900  -28.5600
            51  C1y C    29.3300  -29.2600
            52  C1y C    29.3300  -30.6600
            53  C1y C    30.5200  -31.3600
            54  C1y C    31.7800  -30.6600
            55  O2x O    31.7800  -29.2600
            56  C1a C    32.9700  -31.3600
            57  O1a O    30.5200  -32.6900
            58  O2a O    28.2100  -31.3600
            59  C1a C    27.0200  -30.6600
            60  O2a O    28.1400  -28.5600
            61  C1a C    27.0200  -29.2600
BOND        63
            1     1   2 1
            2     2   3 2
            3     3   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 1
            7     4   8 1
            8     1   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12    1  12 2
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   13  23 1
            24   14  24 1
            25   16  25 1
            26   22  26 1
            27   26  27 1
            28   26  28 1
            29   28  29 1
            30   29  30 1
            31   31  32 2
            32   32  33 1
            33   32  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   38  39 2
            39   31   8 1
            40   30  39 1
            41   30  40 2
            42    7  41 1
            43   28  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   42  47 1
            49   43  48 1
            50   45  49 1
            51   50  41 1 #Down
            52   50  51 1
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   50  55 1
            58   54  56 1 #Down
            59   53  57 1 #Up
            60   52  58 1 #Down
            61   58  59 1
            62   51  60 1 #Up
            63   60  61 1


entry: C15730
name: --- - Chivosazole C
formula: C47H67NO12
kcf:
ATOM        60
            1   C8y C    33.0400  -23.5200
            2   C2x C    33.0400  -24.9200
            3   C2x C    34.2300  -25.6200
            4   C1a C    35.4900  -24.9200
            5   C2x C    34.2300  -27.0200
            6   C2x C    35.4900  -27.6500
            7   C1y C    36.6800  -27.0200
            8   C1y C    36.6800  -25.6200
            9   N5x N    34.1600  -22.6800
            10  C8y C    33.7400  -21.4200
            11  O2x O    32.3400  -21.4200
            12  C8x C    31.9900  -22.6800
            13  C1y C    34.5800  -20.3000
            14  C1y C    34.5800  -18.9000
            15  C1x C    35.7700  -18.2000
            16  C1y C    37.0300  -18.9000
            17  C2x C    38.1500  -18.2000
            18  C2x C    39.3400  -18.9000
            19  C2x C    40.6000  -18.2000
            20  C2x C    41.7900  -18.9000
            21  C2x C    42.9100  -18.2000
            22  C2x C    44.1700  -18.9000
            23  C1a C    35.9100  -20.7200
            24  O2a O    33.3900  -18.2000
            25  O1a O    37.0300  -20.3000
            26  C1y C    44.1700  -20.3000
            27  C1a C    42.9800  -21.0000
            28  C1y C    45.3600  -21.0000
            29  O7x O    45.3600  -22.3300
            30  C7x C    46.4100  -23.6600
            31  C2x C    37.3800  -24.4300
            32  C2y C    38.7100  -24.4300
            33  C1a C    39.4100  -25.6200
            34  C2x C    39.4100  -23.2400
            35  C2x C    40.8100  -23.2400
            36  C2x C    41.5100  -24.4300
            37  C2x C    42.8400  -24.4300
            38  C2x C    43.5400  -25.6200
            39  C2x C    44.9400  -25.6200
            40  O7x O    47.8100  -23.6600
            41  O2a O    37.8700  -27.6500
            42  C1c C    46.5500  -20.3000
            43  C1c C    47.7400  -21.0000
            44  C1b C    48.9300  -20.3000
            45  C1c C    50.1200  -21.0000
            46  C1a C    51.3800  -20.3000
            47  C1a C    46.5500  -18.9000
            48  O1a O    47.7400  -22.3300
            49  O1a O    50.1200  -22.3300
            50  C1a C    32.2000  -18.9000
            51  C1y C    37.8700  -29.0500
            52  C1y C    36.6100  -29.7500
            53  C1y C    36.6100  -31.1500
            54  C1y C    37.8000  -31.8500
            55  C1y C    39.0600  -31.1500
            56  O2x O    39.0600  -29.7500
            57  C1a C    40.2500  -31.8500
            58  O1a O    37.8000  -33.1800
            59  O1a O    35.4900  -31.8500
            60  O1a O    35.4200  -29.0500
BOND        62
            1     1   2 1
            2     2   3 2
            3     3   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 1
            7     4   8 1
            8     1   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12    1  12 2
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   13  23 1
            24   14  24 1
            25   16  25 1
            26   22  26 1
            27   26  27 1
            28   26  28 1
            29   28  29 1
            30   29  30 1
            31   31  32 2
            32   32  33 1
            33   32  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   38  39 2
            39   31   8 1
            40   30  39 1
            41   30  40 2
            42    7  41 1
            43   28  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   42  47 1
            49   43  48 1
            50   45  49 1
            51   24  50 1
            52   51  41 1 #Down
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   51  56 1
            59   55  57 1 #Down
            60   54  58 1 #Up
            61   53  59 1 #Down
            62   52  60 1 #Up


entry: C15731
name: --- - Chivosazole D
formula: C47H67NO12
kcf:
ATOM        60
            1   C8y C    12.4600  -15.1200
            2   C2x C    12.4600  -16.5200
            3   C2x C    13.6500  -17.2200
            4   C1a C    14.9100  -16.5200
            5   C2x C    13.6500  -18.6200
            6   C2x C    14.9100  -19.2500
            7   C1y C    16.1000  -18.6200
            8   C1y C    16.1000  -17.2200
            9   N5x N    13.5800  -14.2800
            10  C8y C    13.1600  -13.0200
            11  O2x O    11.7600  -13.0200
            12  C8x C    11.4100  -14.2800
            13  C1y C    14.0000  -11.9000
            14  C1y C    14.0000  -10.5000
            15  C1x C    15.1900   -9.8000
            16  C1y C    16.4500  -10.5000
            17  C2x C    17.5700   -9.8000
            18  C2x C    18.7600  -10.5000
            19  C2x C    20.0200   -9.8000
            20  C2x C    21.2100  -10.5000
            21  C2x C    22.3300   -9.8000
            22  C2x C    23.5900  -10.5000
            23  C1a C    15.3300  -12.3200
            24  O1a O    12.8100   -9.8000
            25  O1a O    16.4500  -11.9000
            26  C1y C    23.5900  -11.9000
            27  C1a C    22.4000  -12.6000
            28  C1y C    24.7800  -12.6000
            29  O7x O    24.7800  -13.9300
            30  C7x C    25.8300  -15.2600
            31  C2x C    16.8000  -16.0300
            32  C2y C    18.1300  -16.0300
            33  C1a C    18.8300  -17.2200
            34  C2x C    18.8300  -14.8400
            35  C2x C    20.2300  -14.8400
            36  C2x C    20.9300  -16.0300
            37  C2x C    22.2600  -16.0300
            38  C2x C    22.9600  -17.2200
            39  C2x C    24.3600  -17.2200
            40  O7x O    27.2300  -15.2600
            41  O2a O    17.2900  -19.2500
            42  C1c C    25.9700  -11.9000
            43  C1c C    27.1600  -12.6000
            44  C1b C    28.3500  -11.9000
            45  C1c C    29.4700  -12.6000
            46  C1a C    30.7300  -11.9000
            47  C1a C    25.9700  -10.5000
            48  O1a O    27.1600  -13.9300
            49  O1a O    29.4700  -13.9300
            50  C1y C    17.2900  -20.6500
            51  C1y C    16.0300  -21.3500
            52  C1y C    16.0300  -22.7500
            53  C1y C    17.2200  -23.4500
            54  C1y C    18.4800  -22.7500
            55  O2x O    18.4800  -21.3500
            56  C1a C    19.6700  -23.4500
            57  O1a O    17.2200  -24.7800
            58  O2a O    14.9100  -23.4500
            59  O1a O    14.8400  -20.6500
            60  C1a C    13.6738  -22.7929
BOND        62
            1     1   2 1
            2     2   3 2
            3     3   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 1
            7     4   8 1
            8     1   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12    1  12 2
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   13  23 1
            24   14  24 1
            25   16  25 1
            26   22  26 1
            27   26  27 1
            28   26  28 1
            29   28  29 1
            30   29  30 1
            31   31  32 2
            32   32  33 1
            33   32  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   38  39 2
            39   31   8 1
            40   30  39 1
            41   30  40 2
            42    7  41 1
            43   28  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   42  47 1
            49   43  48 1
            50   45  49 1
            51   50  41 1 #Down
            52   50  51 1
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   50  55 1
            58   54  56 1 #Down
            59   53  57 1 #Up
            60   52  58 1 #Down
            61   51  59 1 #Up
            62   58  60 1


entry: C15732
name: --- - Chivosazole E
formula: C46H65NO12
kcf:
ATOM        59
            1   C8y C    33.1100  -23.5900
            2   C2x C    33.1100  -24.9900
            3   C2x C    34.3000  -25.6900
            4   C1a C    35.5600  -24.9900
            5   C2x C    34.3000  -27.0900
            6   C2x C    35.5600  -27.7200
            7   C1y C    36.7500  -27.0900
            8   C1y C    36.7500  -25.6900
            9   N5x N    34.2300  -22.7500
            10  C8y C    33.8100  -21.4900
            11  O2x O    32.4100  -21.4900
            12  C8x C    32.0600  -22.7500
            13  C1y C    34.6500  -20.3700
            14  C1y C    34.6500  -18.9700
            15  C1x C    35.8400  -18.2700
            16  C1y C    37.1000  -18.9700
            17  C2x C    38.2200  -18.2700
            18  C2x C    39.4100  -18.9700
            19  C2x C    40.6700  -18.2700
            20  C2x C    41.7900  -18.9700
            21  C2x C    42.9100  -18.2700
            22  C2x C    44.1700  -18.9700
            23  C1a C    35.9800  -20.7900
            24  O1a O    33.4600  -18.2700
            25  O1a O    37.1000  -20.3700
            26  C1y C    44.1700  -20.3700
            27  C1a C    42.9800  -21.0700
            28  C1y C    45.3600  -21.0700
            29  O7x O    45.3600  -22.4000
            30  C7x C    46.4100  -23.7300
            31  C2x C    37.4500  -24.5000
            32  C2y C    38.7800  -24.5000
            33  C1a C    39.4800  -25.6900
            34  C2x C    39.4800  -23.3100
            35  C2x C    40.8800  -23.3100
            36  C2x C    41.5100  -24.5000
            37  C2x C    42.8400  -24.5000
            38  C2x C    43.5400  -25.6900
            39  C2x C    44.9400  -25.6900
            40  O7x O    47.8100  -23.7300
            41  O2a O    37.9400  -27.7200
            42  C1c C    46.5500  -20.3700
            43  C1c C    47.7400  -21.0700
            44  C1b C    48.9300  -20.3700
            45  C1c C    50.0500  -21.0700
            46  C1a C    51.3100  -20.3700
            47  C1a C    46.5500  -18.9700
            48  O1a O    47.7400  -22.4000
            49  O1a O    50.0500  -22.4000
            50  C1y C    37.9400  -29.0500
            51  C1y C    36.6800  -29.7500
            52  C1y C    36.6800  -31.1500
            53  C1y C    37.8700  -31.8500
            54  C1y C    39.1300  -31.1500
            55  O2x O    39.1300  -29.7500
            56  C1a C    40.3200  -31.8500
            57  O1a O    37.8700  -33.1800
            58  O1a O    35.5600  -31.8500
            59  O1a O    35.4900  -29.0500
BOND        61
            1     1   2 1
            2     2   3 2
            3     3   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 1
            7     4   8 1
            8     1   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12    1  12 2
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   13  23 1
            24   14  24 1
            25   16  25 1
            26   22  26 1
            27   26  27 1
            28   26  28 1
            29   28  29 1
            30   29  30 1
            31   31  32 2
            32   32  33 1
            33   32  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   38  39 2
            39   31   8 1
            40   30  39 1
            41   30  40 2
            42    7  41 1
            43   28  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   42  47 1
            49   43  48 1
            50   45  49 1
            51   50  41 1 #Down
            52   50  51 1
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   50  55 1
            58   54  56 1 #Down
            59   53  57 1 #Up
            60   52  58 1 #Down
            61   51  59 1 #Up


entry: C15733
name: --- - Chivosazole F
formula: C41H57NO8
kcf:
ATOM        50
            1   C8y C    33.1100  -23.5900
            2   C2x C    33.1100  -24.9900
            3   C2x C    34.3000  -25.6900
            4   C1a C    35.5600  -24.9900
            5   C2x C    34.3000  -27.0900
            6   C2x C    35.5600  -27.7200
            7   C1y C    36.7500  -27.0900
            8   C1y C    36.7500  -25.6900
            9   N5x N    34.2300  -22.7500
            10  C8y C    33.8100  -21.4900
            11  O2x O    32.4100  -21.4900
            12  C8x C    32.0600  -22.7500
            13  C1y C    34.6500  -20.3700
            14  C1y C    34.6500  -18.9700
            15  C1x C    35.8400  -18.2700
            16  C1y C    37.1000  -18.9700
            17  C2x C    38.2200  -18.2700
            18  C2x C    39.4100  -18.9700
            19  C2x C    40.6700  -18.2700
            20  C2x C    41.7900  -18.9700
            21  C2x C    42.9100  -18.2700
            22  C2x C    44.1700  -18.9700
            23  C1a C    35.9800  -20.7900
            24  O2a O    33.4600  -18.2700
            25  O1a O    37.1000  -20.3700
            26  C1y C    44.1700  -20.3700
            27  C1a C    42.9800  -21.0700
            28  C1y C    45.3600  -21.0700
            29  O7x O    45.3600  -22.4000
            30  C7x C    46.4100  -23.7300
            31  C2x C    37.4500  -24.5000
            32  C2y C    38.7800  -24.5000
            33  C1a C    39.4800  -25.6900
            34  C2x C    39.4800  -23.3100
            35  C2x C    40.8800  -23.3100
            36  C2x C    41.5100  -24.5000
            37  C2x C    42.8400  -24.5000
            38  C2x C    43.5400  -25.6900
            39  C2x C    44.9400  -25.6900
            40  O7x O    47.8100  -23.7300
            41  O1a O    37.9400  -27.7200
            42  C1c C    46.5500  -20.3700
            43  C1c C    47.7400  -21.0700
            44  C1b C    48.9300  -20.3700
            45  C1c C    50.0500  -21.0700
            46  C1a C    51.3100  -20.3700
            47  C1a C    46.5500  -18.9700
            48  O1a O    47.7400  -22.4000
            49  O1a O    50.0500  -22.4000
            50  C1a C    32.2419  -18.9601
BOND        51
            1     1   2 1
            2     2   3 2
            3     3   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 1
            7     4   8 1
            8     1   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12    1  12 2
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   13  23 1
            24   14  24 1
            25   16  25 1
            26   22  26 1
            27   26  27 1
            28   26  28 1
            29   28  29 1
            30   29  30 1
            31   31  32 2
            32   32  33 1
            33   32  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   38  39 2
            39   31   8 1
            40   30  39 1
            41   30  40 2
            42    7  41 1
            43   28  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   42  47 1
            49   43  48 1
            50   45  49 1
            51   24  50 1


entry: C15734
name: --- - Patellamide A
formula: C35H50N8O6S2
kcf:
ATOM        51
            1   C1y C    39.2526  -21.6132
            2   C5x C    40.4417  -20.9137
            3   N1x N    41.7007  -21.6132
            4   C1y C    42.8898  -20.9137
            5   C8y C    44.0788  -21.6132
            6   N5x N    44.2187  -23.0121
            7   C8y C    45.6176  -23.2919
            8   C8x C    46.3171  -22.1028
            9   S2x S    45.4078  -21.0536
            10  C1x C    37.9936  -21.0536
            11  O2x O    37.0143  -22.1028
            12  C2y C    37.7138  -23.2919
            13  N2x N    39.1127  -23.0121
            14  C1y C    37.0143  -24.4810
            15  N1x N    37.7138  -25.7400
            16  C5x C    37.0143  -26.9291
            17  C8y C    37.7138  -28.1181
            18  C5x C    46.3171  -24.4810
            19  N1x N    45.6176  -25.7400
            20  C1y C    46.3171  -26.9291
            21  C8y C    39.2526  -29.7968
            22  C1y C    40.4417  -30.4963
            23  N1x N    41.7007  -29.7968
            24  C5x C    42.8898  -30.4963
            25  C1y C    44.0788  -29.7968
            26  C1y C    45.3379  -30.3564
            27  O2x O    46.3171  -29.3072
            28  C2y C    45.6176  -28.1181
            29  N2x N    44.2187  -28.3979
            30  N5x N    39.1127  -28.3979
            31  C8x C    37.0143  -29.3072
            32  S2x S    37.9936  -30.3564
            33  C1c C    35.6154  -24.4810
            34  C1a C    34.9160  -25.6700
            35  C1b C    34.9160  -23.2219
            36  C1a C    35.6854  -22.0329
            37  O5x O    35.6154  -26.9291
            38  C1c C    40.4417  -31.8952
            39  C1a C    39.1827  -32.5947
            40  C1a C    41.6307  -32.5947
            41  O5x O    42.8898  -31.8952
            42  C1a C    45.6176  -31.7553
            43  C1c C    47.7160  -26.9291
            44  C1b C    48.4155  -28.1181
            45  C1a C    48.4155  -25.7400
            46  C1a C    47.7160  -29.3072
            47  O5x O    47.7160  -24.4810
            48  C1c C    42.8898  -19.5148
            49  C1a C    44.0788  -18.8154
            50  C1a C    41.7007  -18.8154
            51  O5x O    40.4417  -19.5148
BOND        55
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     5   9 1
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14    1  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    7  18 1
            20   18  19 1
            21   19  20 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 2
            30   25  29 1
            31   21  30 2
            32   30  17 1
            33   17  31 2
            34   31  32 1
            35   21  32 1
            36   20  28 1
            37   14  33 1
            38   33  34 1
            39   33  35 1 #Up
            40   35  36 1
            41   16  37 2
            42   22  38 1 #Down
            43   38  39 1
            44   38  40 1
            45   24  41 2
            46   26  42 1 #Down
            47   20  43 1
            48   43  44 1 #Up
            49   43  45 1
            50   44  46 1
            51   18  47 2
            52    4  48 1 #Down
            53   48  49 1
            54   48  50 1
            55    2  51 2


entry: C15735
name: --- - Patellamide C
formula: C37H46N8O6S2
kcf:
ATOM        53
            1   C1y C    26.5300  -20.4400
            2   C5x C    27.7200  -19.7400
            3   N1x N    28.9800  -20.4400
            4   C1y C    30.1700  -19.7400
            5   C8y C    31.3600  -20.4400
            6   N5x N    31.5000  -21.8400
            7   C8y C    32.9000  -22.1200
            8   C8x C    33.6000  -20.9300
            9   S2x S    32.6900  -19.8800
            10  C1y C    25.2700  -19.8800
            11  O2x O    24.2900  -20.9300
            12  C2y C    24.9900  -22.1200
            13  N2x N    26.3900  -21.8400
            14  C1y C    24.2900  -23.3100
            15  N1x N    24.9900  -24.5700
            16  C5x C    24.2900  -25.7600
            17  C8y C    24.9900  -26.9500
            18  C5x C    33.6000  -23.3100
            19  N1x N    32.9000  -24.5700
            20  C1y C    33.6000  -25.7600
            21  C8y C    26.5300  -28.6300
            22  C1y C    27.7200  -29.3300
            23  N1x N    28.9800  -28.6300
            24  C5x C    30.1700  -29.3300
            25  C1y C    31.3600  -28.6300
            26  C1y C    32.6200  -29.1900
            27  O2x O    33.6000  -28.1400
            28  C2y C    32.9000  -26.9500
            29  N2x N    31.5000  -27.2300
            30  N5x N    26.3900  -27.2300
            31  C8x C    24.2900  -28.1400
            32  S2x S    25.2700  -29.1900
            33  C1c C    22.8900  -23.3100
            34  C1a C    22.1900  -24.5000
            35  C1a C    22.1900  -22.0500
            36  O5x O    22.8900  -25.7600
            37  C1b C    27.7200  -30.7300
            38  C8y C    26.4600  -31.4300
            39  O5x O    30.1700  -30.7300
            40  C1a C    32.9000  -30.5900
            41  C1c C    35.0000  -25.7600
            42  C1b C    35.7000  -26.9500
            43  C1a C    35.7000  -24.5700
            44  C1a C    35.0000  -28.1400
            45  O5x O    35.0000  -23.3100
            46  C1a C    30.1700  -18.3400
            47  O5x O    27.7200  -18.3400
            48  C1a C    24.9907  -18.5081
            49  C8x C    25.2593  -30.7101
            50  C8x C    24.0355  -31.3900
            51  C8x C    24.0124  -32.7898
            52  C8x C    25.2131  -33.5097
            53  C8x C    26.4369  -32.8298
BOND        58
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     5   9 1
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14    1  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    7  18 1
            20   18  19 1
            21   19  20 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 2
            30   25  29 1
            31   21  30 2
            32   30  17 1
            33   17  31 2
            34   31  32 1
            35   21  32 1
            36   20  28 1
            37   14  33 1 #Up
            38   33  34 1
            39   33  35 1
            40   16  36 2
            41   22  37 1 #Down
            42   37  38 1
            43   24  39 2
            44   26  40 1 #Down
            45   20  41 1
            46   41  42 1 #Up
            47   41  43 1
            48   42  44 1
            49   18  45 2
            50    4  46 1 #Down
            51    2  47 2
            52   10  48 1 #Down
            53   38  49 2
            54   49  50 1
            55   50  51 2
            56   51  52 1
            57   52  53 2
            58   38  53 1


entry: C15736
name: --- - Patellamide B
formula: C38H48N8O6S2
kcf:
ATOM        54
            1   C1y C    39.2607  -20.2251
            2   C5x C    40.4501  -19.5254
            3   N1x N    41.7095  -20.2251
            4   C1y C    42.8989  -19.5254
            5   C8y C    44.0883  -20.2251
            6   N5x N    44.2282  -21.6244
            7   C8y C    45.6275  -21.9043
            8   C8x C    46.3272  -20.7149
            9   S2x S    45.4176  -19.6654
            10  C1y C    38.0013  -19.6654
            11  O2x O    37.0217  -20.7149
            12  C2y C    37.7214  -21.9043
            13  N2x N    39.1207  -21.6244
            14  C1y C    37.0217  -23.0937
            15  N1x N    37.7214  -24.3531
            16  C5x C    37.0217  -25.5425
            17  C8y C    37.7214  -26.7319
            18  C5x C    46.3272  -23.0937
            19  N1x N    45.6275  -24.3531
            20  C1y C    46.3272  -25.5425
            21  C8y C    39.2607  -28.4111
            22  C1y C    40.4501  -29.1108
            23  N1x N    41.7095  -28.4111
            24  C5x C    42.8989  -29.1108
            25  C1y C    44.0883  -28.4111
            26  C1y C    45.3477  -28.9708
            27  O2x O    46.3272  -27.9213
            28  C2y C    45.6275  -26.7319
            29  N2x N    44.2282  -27.0118
            30  N5x N    39.1207  -27.0118
            31  C8x C    37.0217  -27.9213
            32  S2x S    38.0013  -28.9708
            33  O5x O    35.6224  -25.5425
            34  C1b C    40.4501  -30.5101
            35  O5x O    42.8989  -30.5101
            36  C1a C    45.6275  -30.3701
            37  C1c C    47.7265  -25.5425
            38  C1b C    48.4262  -26.7319
            39  C1a C    48.4262  -24.3531
            40  C1a C    47.7265  -27.9213
            41  O5x O    47.7265  -23.0937
            42  C1a C    42.8989  -18.1261
            43  O5x O    40.4501  -18.1261
            44  C1a C    37.7214  -18.3360
            45  C8y C    39.2383  -31.2097
            46  C8x C    38.0433  -30.5197
            47  C8x C    36.8314  -31.2192
            48  C8x C    36.8312  -32.6185
            49  C8x C    38.0262  -33.3086
            50  C8x C    39.2381  -32.6090
            51  C1c C    35.6225  -23.0765
            52  C1a C    34.9004  -24.2923
            53  C1b C    34.9452  -21.8692
            54  C1a C    35.6690  -20.6506
BOND        59
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     5   9 1
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14    1  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    7  18 1
            20   18  19 1
            21   19  20 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 2
            30   25  29 1
            31   21  30 2
            32   30  17 1
            33   17  31 2
            34   31  32 1
            35   21  32 1
            36   20  28 1
            37   16  33 2
            38   22  34 1
            39   24  35 2
            40   26  36 1
            41   20  37 1
            42   37  38 1
            43   37  39 1
            44   38  40 1
            45   18  41 2
            46    4  42 1
            47    2  43 2
            48   10  44 1
            49   34  45 1
            50   45  46 2
            51   46  47 1
            52   47  48 2
            53   48  49 1
            54   49  50 2
            55   45  50 1
            56   14  51 1
            57   51  52 1
            58   51  53 1
            59   53  54 1


entry: C15737
name: --- - Patellamide D
formula: C38H48N8O6S2
kcf:
ATOM        54
            1   C1y C    22.7500  -16.0300
            2   C5x C    23.9400  -15.3300
            3   N1x N    25.2000  -16.0300
            4   C1y C    26.3900  -15.3300
            5   C8y C    27.5800  -16.0300
            6   N5x N    27.7200  -17.4300
            7   C8y C    29.1200  -17.7100
            8   C8x C    29.8200  -16.5200
            9   S2x S    28.9100  -15.4700
            10  C1y C    21.4900  -15.4700
            11  O2x O    20.5100  -16.5200
            12  C2y C    21.2100  -17.7100
            13  N2x N    22.6100  -17.4300
            14  C1y C    20.5100  -18.9000
            15  N1x N    21.2100  -20.1600
            16  C5x C    20.5100  -21.3500
            17  C8y C    21.2100  -22.5400
            18  C5x C    29.8200  -18.9000
            19  N1x N    29.1200  -20.1600
            20  C1y C    29.8200  -21.3500
            21  C8y C    22.7500  -24.2200
            22  C1y C    23.9400  -24.9200
            23  N1x N    25.2000  -24.2200
            24  C5x C    26.3900  -24.9200
            25  C1y C    27.5800  -24.2200
            26  C1y C    28.8400  -24.7800
            27  O2x O    29.8200  -23.7300
            28  C2y C    29.1200  -22.5400
            29  N2x N    27.7200  -22.8200
            30  N5x N    22.6100  -22.8200
            31  C8x C    20.5100  -23.7300
            32  S2x S    21.4900  -24.7800
            33  O5x O    19.1100  -21.3500
            34  C1b C    23.9400  -26.3200
            35  O5x O    26.3900  -26.3200
            36  C1a C    29.1200  -26.1800
            37  C1c C    31.2200  -21.3500
            38  C1b C    31.9200  -22.5400
            39  C1a C    31.9200  -20.1600
            40  C1a C    31.2200  -23.7300
            41  O5x O    31.2200  -18.9000
            42  C1a C    26.3900  -13.9300
            43  O5x O    23.9400  -13.9300
            44  C1a C    21.2100  -14.1400
            45  C8y C    22.7500  -27.0200
            46  C8x C    21.4900  -26.3200
            47  C8x C    20.3000  -27.0200
            48  C8x C    20.3000  -28.4200
            49  C8x C    21.4900  -29.1200
            50  C8x C    22.7500  -28.4200
            51  C1c C    19.1100  -18.9000
            52  C1a C    18.4100  -20.0900
            53  C1b C    18.4100  -17.6400
            54  C1a C    19.1800  -16.4500
BOND        59
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     5   9 1
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14    1  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    7  18 1
            20   18  19 1
            21   19  20 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 2
            30   25  29 1
            31   21  30 2
            32   30  17 1
            33   17  31 2
            34   31  32 1
            35   21  32 1
            36   20  28 1
            37   16  33 2
            38   22  34 1 #Down
            39   24  35 2
            40   26  36 1 #Down
            41   20  37 1
            42   37  38 1 #Up
            43   37  39 1
            44   38  40 1
            45   18  41 2
            46    4  42 1 #Down
            47    2  43 2
            48   10  44 1 #Down
            49   34  45 1
            50   45  46 2
            51   46  47 1
            52   47  48 2
            53   48  49 1
            54   49  50 2
            55   45  50 1
            56   14  51 1
            57   51  52 1
            58   51  53 1 #Up
            59   53  54 1


entry: C15738
name: --- - Ascidiacyclamide
formula: C36H52N8O6S2
kcf:
ATOM        52
            1   C1y C    39.2700  -20.2300
            2   C5x C    40.4600  -19.5300
            3   N1x N    41.7200  -20.2300
            4   C1y C    42.9100  -19.5300
            5   C8y C    44.1000  -20.2300
            6   N5x N    44.2400  -21.6300
            7   C8y C    45.5700  -21.9100
            8   C8x C    46.2700  -20.7200
            9   S2x S    45.3600  -19.6700
            10  C1y C    38.0100  -19.6700
            11  O2x O    37.0300  -20.7200
            12  C2y C    37.7300  -21.9100
            13  N2x N    39.1300  -21.6300
            14  C1y C    37.0300  -23.1000
            15  N1x N    37.7300  -24.3600
            16  C5x C    37.0300  -25.5500
            17  C8y C    37.7300  -26.7400
            18  C5x C    46.2700  -23.1000
            19  N1x N    45.5700  -24.3600
            20  C1y C    46.2700  -25.5500
            21  C8y C    39.2700  -28.4200
            22  C1y C    40.4600  -29.1200
            23  N1x N    41.7200  -28.4200
            24  C5x C    42.9100  -29.1200
            25  C1y C    44.1000  -28.4200
            26  C1y C    45.2900  -28.9800
            27  O2x O    46.2700  -27.9300
            28  C2y C    45.5700  -26.7400
            29  N2x N    44.2400  -27.0200
            30  N5x N    39.1300  -27.0200
            31  C8x C    37.0300  -27.9300
            32  S2x S    38.0100  -28.9800
            33  O5x O    35.6300  -25.5500
            34  C1c C    40.4600  -30.5200
            35  O5x O    42.9100  -30.5200
            36  C1a C    45.5700  -30.3800
            37  C1c C    47.6700  -25.5500
            38  C1b C    48.3700  -26.7400
            39  C1a C    48.3700  -24.3600
            40  C1a C    47.6700  -27.9300
            41  O5x O    47.6700  -23.1000
            42  C1c C    42.9100  -18.1300
            43  O5x O    40.4600  -18.1300
            44  C1a C    37.7300  -18.3400
            45  C1c C    35.6300  -23.1000
            46  C1a C    34.9300  -24.2900
            47  C1b C    34.9300  -21.8400
            48  C1a C    35.7000  -20.6500
            49  C1a C    39.2476  -31.2200
            50  C1a C    41.6724  -31.2200
            51  C1a C    44.1224  -17.4300
            52  C1a C    41.6976  -17.4300
BOND        56
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     5   9 1
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14    1  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    7  18 1
            20   18  19 1
            21   19  20 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 2
            30   25  29 1
            31   21  30 2
            32   30  17 1
            33   17  31 2
            34   31  32 1
            35   21  32 1
            36   20  28 1
            37   16  33 2
            38   22  34 1 #Down
            39   24  35 2
            40   26  36 1 #Down
            41   20  37 1
            42   37  38 1 #Up
            43   37  39 1
            44   38  40 1
            45   18  41 2
            46    4  42 1 #Down
            47    2  43 2
            48   10  44 1 #Down
            49   14  45 1
            50   45  46 1
            51   45  47 1 #Up
            52   47  48 1
            53   34  49 1
            54   34  50 1
            55   42  51 1
            56   42  52 1


entry: C15739
name: --- - Westiellamide
formula: C27H42N6O6
kcf:
ATOM        39
            1   O2x O    40.9500  -21.0700
            2   C1y C    42.3500  -21.0700
            3   C1y C    42.7700  -22.4000
            4   N2x N    41.6500  -23.1700
            5   C2y C    40.5300  -22.4000
            6   C5x C    43.9600  -23.0300
            7   N1x N    43.9600  -24.4300
            8   C1y C    45.2200  -25.1300
            9   C2y C    45.2200  -26.5300
            10  O2x O    46.2700  -27.3700
            11  C1y C    45.8500  -28.6300
            12  C1y C    44.5200  -28.6300
            13  N2x N    44.0300  -27.3700
            14  C1y C    39.4100  -23.0300
            15  N1x N    39.4100  -24.4300
            16  C5x C    38.1500  -25.1300
            17  C1y C    38.1500  -26.5300
            18  N2x N    39.2700  -27.3700
            19  C2y C    38.8500  -28.6300
            20  O2x O    37.4500  -28.6300
            21  C1y C    37.0300  -27.3700
            22  C5x C    43.3300  -29.3300
            23  C1y C    40.0400  -29.3300
            24  N1x N    41.7200  -28.6300
            25  C1a C    35.7000  -26.9500
            26  O5x O    36.9600  -24.4300
            27  C1c C    38.2200  -22.4000
            28  C1a C    37.0300  -23.0300
            29  C1a C    38.2200  -21.0000
            30  C1a C    43.1900  -19.9500
            31  O5x O    45.1500  -22.4000
            32  C1c C    46.3400  -24.4300
            33  C1a C    47.6000  -25.1300
            34  C1a C    46.3400  -23.0300
            35  C1a C    46.6900  -29.7500
            36  O5x O    43.3300  -30.7300
            37  C1c C    40.0400  -30.7300
            38  C1a C    41.2300  -31.3600
            39  C1a C    38.8500  -31.5000
BOND        42
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     3   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    9  13 2
            15    5  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 1
            23   17  21 1
            24   12  22 1
            25   19  23 1
            26   23  24 1
            27   24  22 1
            28   21  25 1 #Down
            29   16  26 2
            30   14  27 1 #Up
            31   27  28 1
            32   27  29 1
            33    2  30 1 #Down
            34    6  31 2
            35    8  32 1 #Up
            36   32  33 1
            37   32  34 1
            38   11  35 1 #Down
            39   22  36 2
            40   23  37 1 #Up
            41   37  38 1
            42   37  39 1


entry: C15740
name: --- - Enniatin B
formula: C33H57N3O9
kcf:
ATOM        45
            1   C1y C    23.2400  -22.2600
            2   C7x C    23.2400  -23.6600
            3   O7x O    21.9100  -24.1500
            4   C1y C    22.0500  -25.5500
            5   C5x C    20.7900  -26.1800
            6   N1y N    19.6700  -25.2700
            7   C1y C    18.5500  -26.1100
            8   C7x C    17.2900  -25.4800
            9   O7x O    17.4300  -24.0800
            10  C1y C    16.1000  -23.5900
            11  C5x C    16.1000  -22.1900
            12  N1y N    17.4300  -21.7000
            13  C1y C    17.2900  -20.3000
            14  C7x C    18.5500  -19.6700
            15  O7x O    19.6700  -20.5800
            16  C1y C    20.7900  -19.7400
            17  C5x C    22.0500  -20.3700
            18  N1y N    21.9100  -21.7700
            19  C1a C    18.6200  -22.4700
            20  C1a C    20.7200  -22.4700
            21  C1a C    19.6700  -23.8700
            22  C1c C    14.9100  -24.3600
            23  C1a C    13.6500  -23.7300
            24  C1a C    15.0500  -25.7600
            25  O5x O    14.9800  -21.3500
            26  C1c C    16.0300  -19.6000
            27  C1a C    14.8400  -20.3700
            28  C1a C    16.0300  -18.2000
            29  O7x O    18.6900  -18.2700
            30  C1c C    20.7200  -18.3400
            31  C1a C    19.4600  -17.7100
            32  C1a C    21.8400  -17.5700
            33  O5x O    23.3100  -19.7400
            34  C1c C    24.4300  -21.4900
            35  C1a C    25.6900  -22.1200
            36  C1a C    24.2900  -20.0900
            37  O7x O    24.3600  -24.4300
            38  C1c C    23.2400  -26.2500
            39  C1a C    24.4300  -25.5500
            40  C1a C    23.3100  -27.6500
            41  O5x O    20.6500  -27.5800
            42  C1c C    18.6200  -27.5100
            43  C1a C    19.8800  -28.1400
            44  C1a C    17.5000  -28.2800
            45  O7x O    16.0300  -26.1100
BOND        45
            1    13  14 1
            2    14  15 1
            3    11  12 1
            4    16  17 1
            5    17  18 1
            6    15  16 1
            7     1  18 1
            8     1   2 1
            9     2   3 1
            10    4   5 1
            11    5   6 1
            12    6   7 1
            13    3   4 1
            14    8   9 1
            15    9  10 1
            16   10  11 1
            17    7   8 1
            18   12  13 1
            19   12  19 1
            20   18  20 1
            21    6  21 1
            22   10  22 1 #Down
            23   22  23 1
            24   22  24 1
            25   11  25 2
            26   13  26 1 #Up
            27   26  27 1
            28   26  28 1
            29   14  29 2
            30   16  30 1 #Down
            31   30  31 1
            32   30  32 1
            33   17  33 2
            34    1  34 1 #Up
            35   34  35 1
            36   34  36 1
            37    2  37 2
            38    4  38 1 #Down
            39   38  39 1
            40   38  40 1
            41    5  41 2
            42    7  42 1 #Up
            43   42  43 1
            44   42  44 1
            45    8  45 2


entry: C15741
name: --- - Methylsulfomycin I
formula: C55H54N16O16S2
kcf:
ATOM        89
            1   C8y C    40.2314  -22.7346
            2   C8y C    41.6237  -22.7346
            3   N5x N    42.3199  -21.5511
            4   C8y C    41.6237  -20.2979
            5   C8x C    40.2314  -20.2979
            6   C8x C    39.5352  -21.5511
            7   C8y C    39.0479  -23.4308
            8   S2x S    37.7947  -22.8738
            9   C8x C    36.8201  -23.9181
            10  C8y C    37.5162  -25.1016
            11  N5x N    38.9086  -24.8231
            12  C8y C    42.8073  -23.4308
            13  N5x N    42.9465  -24.8231
            14  C8y C    44.3389  -25.1016
            15  O2x O    45.0351  -23.9181
            16  C8y C    44.1300  -22.8738
            17  C2y C    44.9077  -26.3725
            18  C2a C    46.2791  -26.5138
            19  N1x N    44.0959  -27.4944
            20  C5x C    44.6605  -28.7560
            21  O5x O    46.0677  -28.9018
            22  C2y C    43.8694  -29.8488
            23  C2a C    42.4654  -29.7039
            24  C5x C    36.9475  -26.3725
            25  O5x O    35.5761  -26.5138
            26  N1x N    37.7592  -27.4944
            27  C1y C    37.1946  -28.7560
            28  C5x C    35.7874  -28.9018
            29  C1c C    37.9857  -29.8488
            30  O1a O    39.3897  -29.7039
            31  C1a C    37.4251  -31.1023
            32  O5x O    34.9803  -27.7879
            33  N1x N    35.2067  -30.2014
            34  C2y C    33.8356  -30.3434
            35  C8y C    33.2734  -31.6008
            36  O2x O    31.9124  -31.8878
            37  C8y C    31.7647  -33.2707
            38  C8y C    33.0344  -33.8385
            39  N5x N    33.9668  -32.8064
            40  N1x N    44.4300  -31.1023
            41  C5x C    43.6127  -32.2314
            42  O5x O    42.2549  -32.0904
            43  C8y C    44.1755  -33.4892
            44  N5x N    43.5020  -34.6609
            45  C8y C    44.4082  -35.6635
            46  O2x O    45.6418  -35.1114
            47  C8y C    45.4979  -33.7676
            48  C2y C    44.1173  -37.0452
            49  N1x N    42.7967  -37.4771
            50  C2b C    45.1763  -37.9947
            51  C5x C    41.7742  -36.5602
            52  C8y C    40.4324  -36.9988
            53  O5x O    42.0548  -35.2273
            54  N5x N    39.3133  -36.1887
            55  C8y C    38.1970  -37.0027
            56  S2x S    38.6263  -38.3159
            57  C8x C    40.0078  -38.3135
            58  C1y C    36.8871  -36.5797
            59  O2a O    35.8509  -37.5159
            60  N1x N    35.8314  -35.2274
            61  C5x C    34.0927  -35.2183
            62  O5x O    33.0772  -36.1357
            63  C1a C    44.4462  -21.5179
            64  C1a C    30.5483  -33.9706
            65  C1a C    34.5146  -37.0844
            66  C1a C    46.5610  -32.8070
            67  C5a C    42.3299  -19.0979
            68  N1b N    43.7123  -19.1153
            69  C2c C    44.4093  -17.9100
            70  C5a C    45.8017  -17.9109
            71  N1b N    46.4986  -16.7055
            72  C2c C    47.8910  -16.7064
            73  C5a C    48.5880  -15.5011
            74  N1b N    49.9804  -15.5020
            75  C2c C    50.6774  -14.2966
            76  C5a C    52.0697  -14.2975
            77  N1a N    52.7667  -13.0922
            78  O5a O    41.6509  -17.8933
            79  C2a C    43.7227  -16.7191
            80  O5a O    46.5056  -19.1317
            81  C2a C    48.5738  -17.8903
            82  O5a O    47.8890  -14.2886
            83  C2a C    49.9872  -13.0996
            84  O5a O    52.7701  -15.5122
            85  C1a C    44.8843  -39.3845
            86  C2b C    32.6232  -29.6434
            87  C1c C    32.6234  -28.2100
            88  O1a O    33.8334  -27.5117
            89  C1a C    31.4085  -27.5083
BOND        95
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   1 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    7  11 2
            13    2  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 1
            18   12  16 2
            19   14  17 1
            20   17  18 2
            21   17  19 1
            22   19  20 1
            23   20  21 2
            24   20  22 1
            25   22  23 2
            26   10  24 1
            27   24  25 2
            28   24  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1
            32   29  30 1
            33   29  31 1
            34   28  32 2
            35   28  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 2
            41   38  39 1
            42   35  39 2
            43   22  40 1
            44   40  41 1
            45   41  42 2
            46   41  43 1
            47   43  44 1
            48   44  45 2
            49   45  46 1
            50   46  47 1
            51   43  47 2
            52   45  48 1
            53   48  49 1
            54   48  50 2
            55   49  51 1
            56   51  52 1
            57   51  53 2
            58   52  54 1
            59   54  55 2
            60   55  56 1
            61   56  57 1
            62   52  57 2
            63   55  58 1
            64   58  59 1
            65   58  60 1
            66   60  61 1
            67   61  62 2
            68   38  61 1
            69   16  63 1
            70   37  64 1
            71   59  65 1
            72   47  66 1
            73    4  67 1
            74   67  68 1
            75   68  69 1
            76   69  70 1
            77   70  71 1
            78   71  72 1
            79   72  73 1
            80   73  74 1
            81   74  75 1
            82   75  76 1
            83   76  77 1
            84   67  78 2
            85   69  79 2
            86   70  80 2
            87   72  81 2
            88   73  82 2
            89   75  83 2
            90   76  84 2
            91   50  85 1
            92   34  86 2
            93   86  87 1
            94   87  88 1
            95   87  89 1


entry: C15742
name: --- - Cyanopeptolin A
formula: C46H72N10O12
kcf:
ATOM        68
            1   C1y C    28.7700  -18.4100
            2   C5x C    28.7700  -19.8100
            3   N1y N    29.9824  -20.5100
            4   C1y C    31.1949  -19.8100
            5   C1x C    31.1949  -18.4100
            6   C1x C    29.9824  -17.7100
            7   N1x N    27.5576  -17.7100
            8   C5x C    26.3621  -18.4004
            9   C1y C    25.1747  -17.7149
            10  O5x O    26.3620  -19.8097
            11  N1x N    23.9835  -18.4029
            12  C5x C    22.7940  -17.7162
            13  C1y C    21.6039  -18.4035
            14  O5x O    22.7938  -16.3102
            15  N1b N    20.4138  -17.7165
            16  C1y C    21.6039  -19.8098
            17  O7x O    22.8359  -20.5213
            18  C1a C    20.4110  -20.4986
            19  C1y C    29.9824  -21.9098
            20  C5x C    28.7532  -22.6197
            21  O5x O    27.5492  -21.9246
            22  N1y N    28.7534  -24.0099
            23  C1a C    29.9784  -24.7170
            24  C1y C    27.5535  -24.7030
            25  C5x C    26.3640  -24.0163
            26  N1x N    25.1739  -24.7036
            27  O5x O    26.3637  -22.6102
            28  C1y C    23.9838  -24.0166
            29  C1c C    22.7940  -24.7038
            30  C7x C    23.9834  -22.6103
            31  O7x O    25.3644  -22.2556
            32  C1b C    25.1745  -16.3102
            33  C1b C    26.4060  -15.5989
            34  C1b C    26.4056  -14.2101
            35  N1b N    27.6062  -13.5165
            36  C2c C    27.6059  -12.1102
            37  N2a N    26.3740  -11.3990
            38  N1a N    28.7988  -11.4212
            39  O5x O    27.5576  -20.5100
            40  O1a O    32.4260  -20.5210
            41  C1b C    31.1780  -22.6002
            42  C1c C    32.5780  -22.6002
            43  C1a C    33.2750  -23.8076
            44  C1a C    33.2665  -21.4072
            45  C1b C    27.5536  -26.1098
            46  C8y C    28.7858  -26.8214
            47  C8x C    28.7855  -28.2099
            48  C8x C    29.9978  -28.9102
            49  C8x C    31.2104  -28.2104
            50  C8x C    31.2107  -26.8219
            51  C8x C    29.9984  -26.1216
            52  C1a C    21.6037  -24.0167
            53  C1a C    22.7941  -26.1098
            54  C5a C    19.2240  -18.4037
            55  C1c C    18.0338  -17.7166
            56  O5a O    19.2240  -19.8098
            57  N1b N    16.8440  -18.4038
            58  C1b C    18.0335  -16.3103
            59  C5a C    15.6538  -17.7166
            60  C6a C    19.2657  -15.5985
            61  O6a O    19.2657  -14.1985
            62  O6a O    20.4713  -16.2944
            63  C1b C    14.4640  -18.4038
            64  O5a O    15.6535  -16.3103
            65  C1b C    13.2738  -17.7166
            66  C1b C    12.0840  -18.4038
            67  C1b C    10.8938  -17.7166
            68  C1a C     9.7040  -18.4038
BOND        70
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2
            15   13  15 1
            16   13  16 1
            17   16  17 1
            18   16  18 1
            19    3  19 1
            20   19  20 1
            21   20  21 2
            22   20  22 1
            23   22  23 1
            24   22  24 1
            25   24  25 1
            26   25  26 1
            27   25  27 2
            28   26  28 1
            29   28  29 1
            30   28  30 1
            31   17  30 1
            32   30  31 2
            33    9  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 2
            39   36  38 1
            40    2  39 2
            41    4  40 1
            42   19  41 1
            43   41  42 1
            44   42  43 1
            45   42  44 1
            46   24  45 1
            47   45  46 1
            48   46  47 2
            49   47  48 1
            50   48  49 2
            51   49  50 1
            52   50  51 2
            53   46  51 1
            54   29  52 1
            55   29  53 1
            56   15  54 1
            57   54  55 1
            58   54  56 2
            59   55  57 1
            60   55  58 1
            61   57  59 1
            62   58  60 1
            63   60  61 1
            64   60  62 2
            65   59  63 1
            66   59  64 2
            67   63  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1


entry: C15743
name: --- - Cyanopeptolin S
formula: C40H63N9O14S
kcf:
ATOM        64
            1   C1y C    43.2600  -19.8800
            2   C5x C    43.2600  -21.2100
            3   N1y N    44.4500  -21.9100
            4   C1y C    45.6400  -21.2100
            5   C1x C    45.6400  -19.8800
            6   C1x C    44.4500  -19.1800
            7   N1x N    42.0000  -19.1800
            8   C5x C    40.8100  -19.8100
            9   C1y C    39.6900  -19.1800
            10  O5x O    40.8100  -21.2100
            11  N1x N    38.5000  -19.8100
            12  C5x C    37.3100  -19.1800
            13  C1y C    36.1200  -19.8100
            14  O5x O    37.3100  -17.7800
            15  N1b N    34.9300  -19.1800
            16  C1y C    36.1200  -21.2100
            17  O7x O    37.3100  -21.9100
            18  C1a C    34.9300  -21.9100
            19  C1y C    44.4500  -23.3100
            20  C5x C    43.1900  -24.0100
            21  O5x O    42.0000  -23.3100
            22  N1y N    43.1900  -25.4100
            23  C1a C    44.4500  -26.1100
            24  C1y C    42.0000  -26.1100
            25  C5x C    40.8100  -25.4100
            26  N1x N    39.6900  -26.1100
            27  O5x O    40.8100  -24.0100
            28  C1y C    38.5000  -25.4100
            29  C1c C    37.3100  -26.1100
            30  C7x C    38.5000  -24.0100
            31  O7x O    39.8300  -23.6600
            32  C1b C    39.6900  -17.7800
            33  C1b C    40.8800  -17.0800
            34  C1b C    40.8800  -15.6800
            35  N1b N    42.0700  -14.9800
            36  C2c C    42.0700  -13.5800
            37  N2a N    40.8800  -12.8800
            38  N1a N    43.2600  -12.8800
            39  O5x O    42.0000  -21.9100
            40  O1a O    46.9000  -21.9100
            41  C1c C    45.6400  -24.0100
            42  C1b C    42.0000  -27.5100
            43  C8y C    43.2600  -28.2100
            44  C8x C    43.2600  -29.6100
            45  C8x C    44.4500  -30.3100
            46  C8x C    45.6400  -29.6100
            47  C8x C    45.6400  -28.2100
            48  C8x C    44.4500  -27.5100
            49  C1a C    36.1200  -25.4100
            50  C1b C    37.3100  -27.5100
            51  C5a C    33.7400  -19.8100
            52  C1c C    32.5500  -19.1800
            53  O5a O    33.7400  -21.2100
            54  C1b C    31.3600  -19.8100
            55  O1a O    32.5500  -17.7800
            56  O2a O    29.9600  -19.8100
            57  S4a S    28.5600  -19.8100
            58  O1d O    27.1600  -19.8100
            59  O3c O    28.5600  -18.4100
            60  O3c O    28.5600  -21.2100
            61  C1a C    36.0976  -28.2100
            62  C1b C    46.8581  -23.3199
            63  C1a C    45.6286  -25.4100
            64  C1a C    48.0395  -24.0150
BOND        66
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2
            15   13  15 1
            16   13  16 1
            17   16  17 1
            18   16  18 1
            19    3  19 1
            20   19  20 1
            21   20  21 2
            22   20  22 1
            23   22  23 1
            24   22  24 1
            25   24  25 1
            26   25  26 1
            27   25  27 2
            28   26  28 1
            29   28  29 1
            30   28  30 1
            31   17  30 1
            32   30  31 2
            33    9  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 2
            39   36  38 1
            40    2  39 2
            41    4  40 1
            42   19  41 1
            43   24  42 1
            44   42  43 1
            45   43  44 2
            46   44  45 1
            47   45  46 2
            48   46  47 1
            49   47  48 2
            50   43  48 1
            51   29  49 1
            52   29  50 1
            53   15  51 1
            54   51  52 1
            55   51  53 2
            56   52  54 1
            57   52  55 1
            58   54  56 1
            59   56  57 1
            60   57  58 1
            61   57  59 2
            62   57  60 2
            63   50  61 1
            64   41  62 1
            65   41  63 1
            66   62  64 1


entry: C15744
name: --- - Aeruginopeptin 95A
formula: C56H75N9O17
kcf:
ATOM        82
            1   C1y C    30.0300  -28.9800
            2   C5x C    30.0300  -30.3800
            3   N1y N    31.2200  -31.0800
            4   C1y C    32.4800  -30.3800
            5   C1x C    32.4800  -28.9800
            6   C1x C    31.2200  -28.2800
            7   O5x O    28.8400  -31.0800
            8   C1y C    31.2200  -32.4800
            9   C5x C    30.0300  -33.1800
            10  C1c C    32.4100  -33.1800
            11  C1a C    33.6000  -32.4800
            12  O1a O    32.4100  -34.5100
            13  O1a O    33.6700  -31.0800
            14  N1y N    30.0300  -34.5800
            15  O5x O    28.8400  -32.4800
            16  C1y C    28.8400  -35.2800
            17  C1a C    31.2200  -35.2800
            18  C5x C    27.6500  -34.5800
            19  C1b C    28.8400  -36.6800
            20  C8y C    30.0300  -37.3800
            21  N1x N    26.4600  -35.2800
            22  O5x O    27.6500  -33.1800
            23  C1y C    25.2700  -34.5800
            24  C7x C    25.2700  -33.1800
            25  N1x N    28.8400  -28.2800
            26  C5x C    27.6500  -28.9800
            27  C1y C    26.4600  -28.2800
            28  O5x O    27.6500  -30.3800
            29  N1x N    25.2700  -28.9800
            30  C1b C    26.4600  -26.8800
            31  C5x C    24.0800  -28.2800
            32  C1y C    22.8900  -28.9800
            33  O5x O    24.0800  -26.8800
            34  C1y C    22.8900  -30.3800
            35  C1c C    24.0800  -35.2800
            36  C1a C    22.8900  -34.5800
            37  C1b C    24.0800  -36.6800
            38  C1a C    22.8900  -37.3800
            39  O7x O    26.4600  -32.4800
            40  C8x C    30.0300  -38.7800
            41  C8x C    31.2900  -39.4800
            42  C8x C    32.4800  -38.7800
            43  C8x C    32.4800  -37.3800
            44  C8x C    31.2900  -36.6800
            45  C8y C    27.6500  -26.1800
            46  C8x C    28.8400  -26.8800
            47  C8x C    30.1000  -26.1800
            48  C8y C    30.1000  -24.7800
            49  C8x C    28.9100  -24.0800
            50  C8x C    27.6500  -24.7800
            51  O7x O    24.0800  -31.0800
            52  O1a O    31.2900  -24.0800
            53  C1a C    21.7000  -31.0800
            54  N1b N    21.7000  -28.2800
            55  C5a C    20.5100  -28.9800
            56  C1c C    19.2500  -28.2800
            57  N1b N    18.0600  -28.9800
            58  O5a O    20.5100  -30.3800
            59  C1b C    19.2500  -26.8800
            60  C1b C    18.0600  -26.1800
            61  C5a C    18.0600  -24.7800
            62  N1a N    16.8700  -24.0800
            63  O5a O    19.2500  -24.0800
            64  C5a C    16.8700  -28.2800
            65  C1c C    15.6800  -28.9800
            66  N1b N    14.4900  -28.2800
            67  C5a C    13.3000  -28.9800
            68  O5a O    16.8700  -26.8800
            69  C1c C    15.6800  -30.3800
            70  O1a O    14.4900  -31.0800
            71  C1a C    16.8700  -31.0800
            72  C1c C    12.1100  -28.2800
            73  O5a O    13.3000  -30.3800
            74  C1b C    10.9200  -28.9800
            75  O1a O    12.1100  -26.8800
            76  C8y C     9.7300  -28.2800
            77  C8x C     8.5400  -28.9800
            78  C8x C     7.2800  -28.2800
            79  C8y C     7.2800  -26.8800
            80  C8x C     8.4700  -26.1800
            81  C8x C     9.7300  -26.8800
            82  O1a O     6.0900  -26.1800
BOND        86
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 2
            8     3   8 1
            9     8   9 1
            10    8  10 1
            11   10  11 1
            12   10  12 1 #Up
            13    4  13 1 #Up
            14    9  14 1
            15    9  15 2
            16   14  16 1
            17   14  17 1
            18   16  18 1
            19   16  19 1 #Up
            20   19  20 1
            21   18  21 1
            22   18  22 2
            23   21  23 1
            24   23  24 1
            25    1  25 1
            26   25  26 1
            27   26  27 1
            28   26  28 2
            29   27  29 1
            30   27  30 1 #Up
            31   29  31 1
            32   31  32 1
            33   31  33 2
            34   32  34 1
            35   23  35 1
            36   35  36 1 #Down
            37   35  37 1
            38   37  38 1
            39   24  39 2
            40   20  40 2
            41   40  41 1
            42   41  42 2
            43   42  43 1
            44   43  44 2
            45   20  44 1
            46   30  45 1
            47   45  46 2
            48   46  47 1
            49   47  48 2
            50   48  49 1
            51   49  50 2
            52   45  50 1
            53   34  51 1
            54   48  52 1
            55   51  24 1
            56   34  53 1 #Down
            57   32  54 1 #Down
            58   54  55 1
            59   55  56 1
            60   56  57 1
            61   55  58 2
            62   56  59 1 #Up
            63   59  60 1
            64   60  61 1
            65   61  62 1
            66   61  63 2
            67   57  64 1
            68   64  65 1
            69   65  66 1
            70   66  67 1
            71   64  68 2
            72   65  69 1
            73   69  70 1 #Up
            74   69  71 1
            75   67  72 1
            76   67  73 2
            77   72  74 1
            78   72  75 1 #Up
            79   74  76 1
            80   76  77 2
            81   77  78 1
            82   78  79 2
            83   79  80 1
            84   80  81 2
            85   76  81 1
            86   79  82 1


entry: C15745
name: --- - Aeruginopeptin 95B
formula: C56H79N9O17
kcf:
ATOM        82
            1   C1y C    51.8000  -22.9600
            2   C5x C    51.8000  -24.3600
            3   N1y N    52.9900  -25.0600
            4   C1y C    54.2500  -24.3600
            5   C1x C    54.2500  -22.9600
            6   C1x C    52.9900  -22.2600
            7   O5x O    50.6100  -25.0600
            8   C1y C    52.9900  -26.4600
            9   C5x C    51.8000  -27.1600
            10  C1c C    54.1800  -27.1600
            11  C1a C    55.3700  -26.4600
            12  O1a O    54.1800  -28.4900
            13  O1a O    55.4400  -25.0600
            14  N1y N    51.8000  -28.5600
            15  O5x O    50.6100  -26.4600
            16  C1y C    50.6100  -29.2600
            17  C1a C    52.9900  -29.2600
            18  C5x C    49.4200  -28.5600
            19  C1b C    50.6100  -30.6600
            20  C8y C    51.8000  -31.3600
            21  N1x N    48.2300  -29.2600
            22  O5x O    49.4200  -27.1600
            23  C1y C    47.0400  -28.5600
            24  C7x C    47.0400  -27.1600
            25  N1x N    50.6100  -22.2600
            26  C5x C    49.4200  -22.9600
            27  C1y C    48.2300  -22.2600
            28  O5x O    49.4200  -24.3600
            29  N1x N    47.0400  -22.9600
            30  C1b C    48.2300  -20.8600
            31  C5x C    45.8500  -22.2600
            32  C1y C    44.6600  -22.9600
            33  O5x O    45.8500  -20.8600
            34  C1y C    44.6600  -24.3600
            35  C1c C    45.8500  -29.2600
            36  C1a C    44.6600  -28.5600
            37  C1b C    45.8500  -30.6600
            38  C1a C    44.6600  -31.3600
            39  O7x O    48.2300  -26.4600
            40  C8x C    51.8000  -32.6900
            41  C8x C    53.0600  -33.3900
            42  C8x C    54.2500  -32.6900
            43  C8x C    54.2500  -31.3600
            44  C8x C    53.0600  -30.6600
            45  C1y C    49.4200  -20.1600
            46  C1x C    50.6100  -20.8600
            47  C1x C    51.8700  -20.1600
            48  C1y C    51.8700  -18.7600
            49  C2x C    50.6800  -18.0600
            50  C2x C    49.4200  -18.7600
            51  O7x O    45.8500  -25.0600
            52  O1a O    53.0600  -18.0600
            53  C1a C    43.4700  -25.0600
            54  N1b N    43.4700  -22.2600
            55  C5a C    42.2800  -22.9600
            56  C1c C    41.0200  -22.2600
            57  N1b N    39.8300  -22.9600
            58  O5a O    42.2800  -24.3600
            59  C1b C    41.0200  -20.8600
            60  C1b C    39.8300  -20.1600
            61  C5a C    39.8300  -18.7600
            62  N1a N    38.6400  -18.0600
            63  O5a O    41.0200  -18.0600
            64  C5a C    38.6400  -22.2600
            65  C1c C    37.4500  -22.9600
            66  N1b N    36.2600  -22.2600
            67  C5a C    35.0700  -22.9600
            68  O5a O    38.6400  -20.8600
            69  C1c C    37.4500  -24.3600
            70  O1a O    36.2600  -25.0600
            71  C1a C    38.6400  -25.0600
            72  C1c C    33.9500  -22.2600
            73  O5a O    35.0700  -24.3600
            74  C1b C    32.7600  -22.9600
            75  O1a O    33.9500  -20.8600
            76  C8y C    31.5700  -22.2600
            77  C8x C    30.3800  -22.9600
            78  C8x C    29.1200  -22.2600
            79  C8y C    29.1200  -20.8600
            80  C8x C    30.3100  -20.1600
            81  C8x C    31.5700  -20.8600
            82  O1a O    27.9300  -20.1600
BOND        86
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 2
            8     3   8 1
            9     8   9 1
            10    8  10 1
            11   10  11 1
            12   10  12 1
            13    4  13 1
            14    9  14 1
            15    9  15 2
            16   14  16 1
            17   14  17 1
            18   16  18 1
            19   16  19 1
            20   19  20 1
            21   18  21 1
            22   18  22 2
            23   21  23 1
            24   23  24 1
            25    1  25 1
            26   25  26 1
            27   26  27 1
            28   26  28 2
            29   27  29 1
            30   27  30 1
            31   29  31 1
            32   31  32 1
            33   31  33 2
            34   32  34 1
            35   23  35 1
            36   35  36 1
            37   35  37 1
            38   37  38 1
            39   24  39 2
            40   20  40 2
            41   40  41 1
            42   41  42 2
            43   42  43 1
            44   43  44 2
            45   20  44 1
            46   30  45 1
            47   45  46 1
            48   46  47 1
            49   47  48 1
            50   48  49 1
            51   49  50 2
            52   45  50 1
            53   34  51 1
            54   48  52 1
            55   51  24 1
            56   34  53 1
            57   32  54 1
            58   54  55 1
            59   55  56 1
            60   56  57 1
            61   55  58 2
            62   56  59 1
            63   59  60 1
            64   60  61 1
            65   61  62 1
            66   61  63 2
            67   57  64 1
            68   64  65 1
            69   65  66 1
            70   66  67 1
            71   64  68 2
            72   65  69 1
            73   69  70 1
            74   69  71 1
            75   67  72 1
            76   67  73 2
            77   72  74 1
            78   72  75 1
            79   74  76 1
            80   76  77 2
            81   77  78 1
            82   78  79 2
            83   79  80 1
            84   80  81 2
            85   76  81 1
            86   79  82 1


entry: C15746
name: --- - Aeruginopeptin 228A
formula: C52H68N8O15
kcf:
ATOM        75
            1   C1y C    50.0500  -22.9600
            2   C5x C    50.0500  -24.3600
            3   N1y N    51.2400  -25.0600
            4   C1y C    52.5000  -24.3600
            5   C1x C    52.5000  -22.9600
            6   C1x C    51.2400  -22.2600
            7   O5x O    48.8600  -25.0600
            8   C1y C    51.2400  -26.4600
            9   C5x C    50.0500  -27.1600
            10  C1c C    52.4300  -27.1600
            11  C1a C    53.6200  -26.4600
            12  O1a O    52.4300  -28.4900
            13  O1a O    53.6900  -25.0600
            14  N1y N    50.0500  -28.5600
            15  O5x O    48.8600  -26.4600
            16  C1y C    48.8600  -29.2600
            17  C1a C    51.2400  -29.2600
            18  C5x C    47.6700  -28.5600
            19  C1b C    48.8600  -30.6600
            20  C8y C    50.0500  -31.3600
            21  N1x N    46.4800  -29.2600
            22  O5x O    47.6700  -27.1600
            23  C1y C    45.2900  -28.5600
            24  C7x C    45.2900  -27.1600
            25  N1x N    48.8600  -22.2600
            26  C5x C    47.6700  -22.9600
            27  C1y C    46.4800  -22.2600
            28  O5x O    47.6700  -24.3600
            29  N1x N    45.2900  -22.9600
            30  C1b C    46.4800  -20.8600
            31  C5x C    44.1000  -22.2600
            32  C1y C    42.9100  -22.9600
            33  O5x O    44.1000  -20.8600
            34  C1y C    42.9100  -24.3600
            35  C1c C    44.1000  -29.2600
            36  C1a C    42.9100  -28.5600
            37  C1b C    44.1000  -30.6600
            38  C1a C    42.9100  -31.3600
            39  O7x O    46.4800  -26.4600
            40  C8x C    50.0500  -32.6900
            41  C8x C    51.3100  -33.3900
            42  C8x C    52.5000  -32.6900
            43  C8x C    52.5000  -31.3600
            44  C8x C    51.3100  -30.6600
            45  C8y C    47.6700  -20.1600
            46  C8x C    48.8600  -20.8600
            47  C8x C    50.1200  -20.1600
            48  C8y C    50.1200  -18.7600
            49  C8x C    48.9300  -18.0600
            50  C8x C    47.6700  -18.7600
            51  O7x O    44.1000  -25.0600
            52  O1a O    51.3100  -18.0600
            53  C1a C    41.7200  -25.0600
            54  N1b N    41.7200  -22.2600
            55  C5a C    40.5300  -22.9600
            56  C1c C    39.2700  -22.2600
            57  N1b N    38.0800  -22.9600
            58  O5a O    40.5300  -24.3600
            59  C1b C    39.2700  -20.8600
            60  C1b C    38.0800  -20.1600
            61  C5a C    38.0800  -18.7600
            62  N1a N    36.8900  -18.0600
            63  O5a O    39.2700  -18.0600
            64  C5a C    36.8900  -22.2600
            65  C1c C    35.7000  -22.9600
            66  O5a O    36.8900  -20.8600
            67  C1b C    34.5100  -22.2600
            68  O1a O    35.7000  -24.3600
            69  C8y C    33.3200  -22.9600
            70  C8x C    32.0600  -22.2600
            71  C8x C    30.8700  -22.9600
            72  C8y C    30.8700  -24.3600
            73  C8x C    32.1300  -25.0600
            74  C8x C    33.3200  -24.3600
            75  O1a O    29.6800  -25.1300
BOND        79
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 2
            8     3   8 1
            9     8   9 1
            10    8  10 1
            11   10  11 1
            12   10  12 1 #Up
            13    4  13 1 #Up
            14    9  14 1
            15    9  15 2
            16   14  16 1
            17   14  17 1
            18   16  18 1
            19   16  19 1 #Up
            20   19  20 1
            21   18  21 1
            22   18  22 2
            23   21  23 1
            24   23  24 1
            25    1  25 1
            26   25  26 1
            27   26  27 1
            28   26  28 2
            29   27  29 1
            30   27  30 1 #Up
            31   29  31 1
            32   31  32 1
            33   31  33 2
            34   32  34 1
            35   23  35 1
            36   35  36 1 #Down
            37   35  37 1
            38   37  38 1
            39   24  39 2
            40   20  40 2
            41   40  41 1
            42   41  42 2
            43   42  43 1
            44   43  44 2
            45   20  44 1
            46   30  45 1
            47   45  46 2
            48   46  47 1
            49   47  48 2
            50   48  49 1
            51   49  50 2
            52   45  50 1
            53   34  51 1
            54   48  52 1
            55   51  24 1
            56   34  53 1 #Down
            57   32  54 1 #Down
            58   54  55 1
            59   55  56 1
            60   56  57 1
            61   55  58 2
            62   56  59 1 #Up
            63   59  60 1
            64   60  61 1
            65   61  62 1
            66   61  63 2
            67   57  64 1
            68   64  65 1
            69   64  66 2
            70   65  67 1
            71   65  68 1 #Down
            72   67  69 1
            73   69  70 2
            74   70  71 1
            75   71  72 2
            76   72  73 1
            77   73  74 2
            78   69  74 1
            79   72  75 1


entry: C15747
name: --- - Aeruginopeptin 228B
formula: C52H72N8O15
kcf:
ATOM        75
            1   C1y C    35.7000  -21.0000
            2   C5x C    35.7000  -22.4000
            3   N1y N    36.8900  -23.1000
            4   C1y C    38.1500  -22.4000
            5   C1x C    38.1500  -21.0000
            6   C1x C    36.8900  -20.3000
            7   O5x O    34.5100  -23.1000
            8   C1y C    36.8900  -24.5000
            9   C5x C    35.7000  -25.2000
            10  C1c C    38.0800  -25.2000
            11  C1a C    39.2700  -24.5000
            12  O1a O    38.0800  -26.5300
            13  O1a O    39.3400  -23.1000
            14  N1y N    35.7000  -26.6000
            15  O5x O    34.5100  -24.5000
            16  C1y C    34.5100  -27.3000
            17  C1a C    36.8900  -27.3000
            18  C5x C    33.3200  -26.6000
            19  C1b C    34.5100  -28.7000
            20  C8y C    35.7000  -29.4000
            21  N1x N    32.1300  -27.3000
            22  O5x O    33.3200  -25.2000
            23  C1y C    30.9400  -26.6000
            24  C7x C    30.9400  -25.2000
            25  N1x N    34.5100  -20.3000
            26  C5x C    33.3200  -21.0000
            27  C1y C    32.1300  -20.3000
            28  O5x O    33.3200  -22.4000
            29  N1x N    30.9400  -21.0000
            30  C1b C    32.1300  -18.9000
            31  C5x C    29.7500  -20.3000
            32  C1y C    28.5600  -21.0000
            33  O5x O    29.7500  -18.9000
            34  C1y C    28.5600  -22.4000
            35  C1c C    29.7500  -27.3000
            36  C1a C    28.5600  -26.6000
            37  C1b C    29.7500  -28.7000
            38  C1a C    28.5600  -29.4000
            39  O7x O    32.1300  -24.5000
            40  C8x C    35.7000  -30.7300
            41  C8x C    36.9600  -31.4300
            42  C8x C    38.1500  -30.7300
            43  C8x C    38.1500  -29.4000
            44  C8x C    36.9600  -28.7000
            45  C1y C    33.3200  -18.2000
            46  C1x C    34.5100  -18.9000
            47  C1x C    35.7700  -18.2000
            48  C1y C    35.7700  -16.8000
            49  C2x C    34.5800  -16.1000
            50  C2x C    33.3200  -16.8000
            51  O7x O    29.7500  -23.1000
            52  O1a O    36.9600  -16.1000
            53  C1a C    27.3700  -23.1000
            54  N1b N    27.3700  -20.3000
            55  C5a C    26.1800  -21.0000
            56  C1c C    24.9200  -20.3000
            57  N1b N    23.7300  -21.0000
            58  O5a O    26.1800  -22.4000
            59  C1b C    24.9200  -18.9000
            60  C1b C    23.7300  -18.2000
            61  C5a C    23.7300  -16.8000
            62  N1a N    22.5400  -16.1000
            63  O5a O    24.9200  -16.1000
            64  C5a C    22.5400  -20.3000
            65  C1c C    21.3500  -21.0000
            66  O5a O    22.5400  -18.9000
            67  C1b C    20.2300  -20.3000
            68  O1a O    21.3500  -22.4000
            69  C8y C    19.0400  -21.0000
            70  C8x C    17.7800  -20.3000
            71  C8x C    16.5900  -21.0000
            72  C8y C    16.5900  -22.4000
            73  C8x C    17.8500  -23.1000
            74  C8x C    19.0400  -22.4000
            75  O1a O    15.4000  -23.1700
BOND        79
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 2
            8     3   8 1
            9     8   9 1
            10    8  10 1
            11   10  11 1
            12   10  12 1
            13    4  13 1
            14    9  14 1
            15    9  15 2
            16   14  16 1
            17   14  17 1
            18   16  18 1
            19   16  19 1
            20   19  20 1
            21   18  21 1
            22   18  22 2
            23   21  23 1
            24   23  24 1
            25    1  25 1
            26   25  26 1
            27   26  27 1
            28   26  28 2
            29   27  29 1
            30   27  30 1
            31   29  31 1
            32   31  32 1
            33   31  33 2
            34   32  34 1
            35   23  35 1
            36   35  36 1
            37   35  37 1
            38   37  38 1
            39   24  39 2
            40   20  40 2
            41   40  41 1
            42   41  42 2
            43   42  43 1
            44   43  44 2
            45   20  44 1
            46   30  45 1
            47   45  46 1
            48   46  47 1
            49   47  48 1
            50   48  49 1
            51   49  50 2
            52   45  50 1
            53   34  51 1
            54   48  52 1
            55   51  24 1
            56   34  53 1
            57   32  54 1
            58   54  55 1
            59   55  56 1
            60   56  57 1
            61   55  58 2
            62   56  59 1
            63   59  60 1
            64   60  61 1
            65   61  62 1
            66   61  63 2
            67   57  64 1
            68   64  65 1
            69   64  66 2
            70   65  67 1
            71   65  68 1
            72   67  69 1
            73   69  70 2
            74   70  71 1
            75   71  72 2
            76   72  73 1
            77   73  74 2
            78   69  74 1
            79   72  75 1


entry: C15748
name: --- - Aeruginopeptin 917S-A - Microcystilide A
formula: C54H72N8O15
kcf:
ATOM        77
            1   C1y C    49.0315  -22.9480
            2   C5x C    49.0315  -24.3430
            3   N1y N    50.2172  -25.0405
            4   C1y C    51.4727  -24.3430
            5   C1x C    51.4727  -22.9480
            6   C1x C    50.2172  -22.2505
            7   O5x O    47.8457  -25.0405
            8   C1y C    50.2172  -26.4355
            9   C5x C    49.0315  -27.1330
            10  C1b C    51.4030  -27.1330
            11  O1a O    52.6585  -25.0405
            12  N1y N    49.0315  -28.5280
            13  O5x O    47.8457  -26.4355
            14  C1y C    47.8457  -29.2255
            15  C1a C    50.2172  -29.2255
            16  C5x C    46.6600  -28.5280
            17  C1b C    47.8457  -30.6205
            18  C8y C    49.0315  -31.3180
            19  N1x N    45.4742  -29.2255
            20  O5x O    46.6600  -27.1330
            21  C1y C    44.2885  -28.5280
            22  C7x C    44.2885  -27.1330
            23  N1x N    47.8457  -22.2505
            24  C5x C    46.6600  -22.9480
            25  C1y C    45.4742  -22.2505
            26  O5x O    46.6600  -24.3430
            27  N1x N    44.2885  -22.9480
            28  C1b C    45.4742  -20.8555
            29  C5x C    43.1027  -22.2505
            30  C1y C    41.9170  -22.9480
            31  O5x O    43.1027  -20.8555
            32  C1y C    41.9170  -24.3430
            33  C1c C    43.1027  -29.2255
            34  C1a C    41.9170  -28.5280
            35  C1b C    43.1027  -30.6205
            36  C1a C    41.9170  -31.3180
            37  O7x O    45.4742  -26.4355
            38  C8x C    49.0315  -32.6432
            39  C8x C    50.2870  -33.3407
            40  C8y C    51.4727  -32.6432
            41  C8x C    51.4727  -31.3180
            42  C8x C    50.2870  -30.6205
            43  C8y C    46.6600  -20.1580
            44  C8x C    47.8457  -20.8555
            45  C8x C    49.1012  -20.1580
            46  C8y C    49.1012  -18.7630
            47  C8x C    47.9155  -18.0655
            48  C8x C    46.6600  -18.7630
            49  O7x O    43.1027  -25.0405
            50  O1a O    50.2870  -18.0655
            51  C1a C    40.7312  -25.0405
            52  N1b N    40.7312  -22.2505
            53  C5a C    39.5455  -22.9480
            54  C1c C    38.2900  -22.2505
            55  N1b N    37.1042  -22.9480
            56  O5a O    39.5455  -24.3430
            57  C1b C    38.2900  -20.8555
            58  C1b C    37.1042  -20.1580
            59  C5a C    37.1042  -18.7630
            60  N1a N    35.9185  -18.0655
            61  O5a O    38.2900  -18.0655
            62  C5a C    35.9185  -22.2505
            63  C1c C    34.7327  -22.9480
            64  O5a O    35.9185  -20.8555
            65  O1a O    34.7327  -24.3430
            66  O1a O    52.6837  -33.3358
            67  C1c C    52.7980  -27.1330
            68  C1a C    53.4955  -28.3410
            69  C1a C    53.4955  -25.9249
            70  C1b C    33.5132  -22.2504
            71  C8y C    32.3121  -22.9504
            72  C8x C    31.1220  -22.2697
            73  C8x C    29.9124  -22.9746
            74  C8y C    29.9180  -24.3746
            75  C8x C    31.1081  -25.0553
            76  C8x C    32.3177  -24.3504
            77  O1a O    28.6942  -25.0881
BOND        81
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 2
            8     3   8 1
            9     8   9 1
            10    8  10 1
            11    4  11 1 #Up
            12    9  12 1
            13    9  13 2
            14   12  14 1
            15   12  15 1
            16   14  16 1
            17   14  17 1 #Up
            18   17  18 1
            19   16  19 1
            20   16  20 2
            21   19  21 1
            22   21  22 1
            23    1  23 1
            24   23  24 1
            25   24  25 1
            26   24  26 2
            27   25  27 1
            28   25  28 1 #Up
            29   27  29 1
            30   29  30 1
            31   29  31 2
            32   30  32 1
            33   21  33 1
            34   33  34 1 #Down
            35   33  35 1
            36   35  36 1
            37   22  37 2
            38   18  38 2
            39   38  39 1
            40   39  40 2
            41   40  41 1
            42   41  42 2
            43   18  42 1
            44   28  43 1
            45   43  44 2
            46   44  45 1
            47   45  46 2
            48   46  47 1
            49   47  48 2
            50   43  48 1
            51   32  49 1
            52   46  50 1
            53   49  22 1
            54   32  51 1 #Down
            55   30  52 1 #Down
            56   52  53 1
            57   53  54 1
            58   54  55 1
            59   53  56 2
            60   54  57 1 #Up
            61   57  58 1
            62   58  59 1
            63   59  60 1
            64   59  61 2
            65   55  62 1
            66   62  63 1
            67   62  64 2
            68   63  65 1 #Down
            69   40  66 1
            70   10  67 1
            71   67  68 1
            72   67  69 1
            73   63  70 1
            74   70  71 1
            75   71  72 2
            76   72  73 1
            77   73  74 2
            78   74  75 1
            79   75  76 2
            80   71  76 1
            81   74  77 1


entry: C15749
name: --- - Aeruginopeptin 917S-B
formula: C54H76N8O15
kcf:
ATOM        77
            1   C1y C    49.6300  -22.9600
            2   C5x C    49.6300  -24.3600
            3   N1y N    50.7500  -25.0600
            4   C1y C    52.0100  -24.3600
            5   C1x C    52.0100  -22.9600
            6   C1x C    50.7500  -22.2600
            7   O5x O    48.4400  -25.0600
            8   C1y C    50.7500  -26.4600
            9   C5x C    49.6300  -27.1600
            10  C1b C    51.9400  -27.1600
            11  O1a O    53.2000  -25.0600
            12  N1y N    49.6300  -28.5600
            13  O5x O    48.4400  -26.4600
            14  C1y C    48.4400  -29.2600
            15  C1a C    50.7500  -29.2600
            16  C5x C    47.2500  -28.5600
            17  C1b C    48.4400  -30.5900
            18  C8y C    49.6300  -31.2900
            19  N1x N    46.0600  -29.2600
            20  O5x O    47.2500  -27.1600
            21  C1y C    44.8700  -28.5600
            22  C7x C    44.8700  -27.1600
            23  N1x N    48.4400  -22.2600
            24  C5x C    47.2500  -22.9600
            25  C1y C    46.0600  -22.2600
            26  O5x O    47.2500  -24.3600
            27  N1x N    44.8700  -22.9600
            28  C1b C    46.0600  -20.8600
            29  C5x C    43.6800  -22.2600
            30  C1y C    42.4900  -22.9600
            31  O5x O    43.6800  -20.8600
            32  C1y C    42.4900  -24.3600
            33  C1c C    43.6800  -29.2600
            34  C1a C    42.4900  -28.5600
            35  C1b C    43.6800  -30.5900
            36  C1a C    42.4900  -31.2900
            37  O7x O    46.0600  -26.4600
            38  C8x C    49.6300  -32.6200
            39  C8x C    50.8200  -33.3200
            40  C8y C    52.0100  -32.6200
            41  C8x C    52.0100  -31.2900
            42  C8x C    50.8200  -30.5900
            43  C1y C    47.2500  -20.1600
            44  C1x C    48.4400  -20.8600
            45  C1x C    49.7000  -20.1600
            46  C1y C    49.7000  -18.7600
            47  C2x C    48.5100  -18.0600
            48  C2x C    47.2500  -18.7600
            49  O7x O    43.6800  -25.0600
            50  O1a O    50.8200  -18.0600
            51  C1a C    41.3000  -25.0600
            52  N1b N    41.3000  -22.2600
            53  C5a C    40.1100  -22.9600
            54  C1c C    38.8500  -22.2600
            55  N1b N    37.6600  -22.9600
            56  O5a O    40.1100  -24.3600
            57  C1b C    38.8500  -20.8600
            58  C1b C    37.6600  -20.1600
            59  C5a C    37.6600  -18.7600
            60  N1a N    36.4700  -18.0600
            61  O5a O    38.8500  -18.0600
            62  C5a C    36.4700  -22.2600
            63  C1c C    35.2800  -22.9600
            64  O5a O    36.4700  -20.8600
            65  O1a O    35.2800  -24.3600
            66  O1a O    53.2700  -33.3200
            67  C1c C    53.3400  -27.1600
            68  C1a C    54.0400  -28.3500
            69  C1a C    54.0400  -25.9000
            70  C1b C    34.0900  -22.2600
            71  C8y C    32.9000  -22.9600
            72  C8x C    31.7100  -22.2600
            73  C8x C    30.4500  -22.9600
            74  C8y C    30.4500  -24.3600
            75  C8x C    31.6400  -25.0600
            76  C8x C    32.9000  -24.3600
            77  O1a O    29.2600  -25.0600
BOND        81
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 2
            8     3   8 1
            9     8   9 1
            10    8  10 1
            11    4  11 1
            12    9  12 1
            13    9  13 2
            14   12  14 1
            15   12  15 1
            16   14  16 1
            17   14  17 1
            18   17  18 1
            19   16  19 1
            20   16  20 2
            21   19  21 1
            22   21  22 1
            23    1  23 1
            24   23  24 1
            25   24  25 1
            26   24  26 2
            27   25  27 1
            28   25  28 1
            29   27  29 1
            30   29  30 1
            31   29  31 2
            32   30  32 1
            33   21  33 1
            34   33  34 1
            35   33  35 1
            36   35  36 1
            37   22  37 2
            38   18  38 2
            39   38  39 1
            40   39  40 2
            41   40  41 1
            42   41  42 2
            43   18  42 1
            44   28  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   46  47 1
            49   47  48 2
            50   43  48 1
            51   32  49 1
            52   46  50 1
            53   49  22 1
            54   32  51 1
            55   30  52 1
            56   52  53 1
            57   53  54 1
            58   54  55 1
            59   53  56 2
            60   54  57 1
            61   57  58 1
            62   58  59 1
            63   59  60 1
            64   59  61 2
            65   55  62 1
            66   62  63 1
            67   62  64 2
            68   63  65 1
            69   40  66 1
            70   10  67 1
            71   67  68 1
            72   67  69 1
            73   63  70 1
            74   70  71 1
            75   71  72 2
            76   72  73 1
            77   73  74 2
            78   74  75 1
            79   75  76 2
            80   71  76 1
            81   74  77 1


entry: C15750
name: --- - Aeruginopeptin 917S-C
formula: C51H74N8O14
kcf:
ATOM        73
            1   C1y C    49.6300  -22.9600
            2   C5x C    49.6300  -24.3600
            3   N1y N    50.7500  -25.0600
            4   C1y C    52.0100  -24.3600
            5   C1x C    52.0100  -22.9600
            6   C1x C    50.7500  -22.2600
            7   O5x O    48.4400  -25.0600
            8   C1y C    50.7500  -26.4600
            9   C5x C    49.6300  -27.1600
            10  C1b C    51.9400  -27.1600
            11  O1a O    53.2000  -25.0600
            12  N1y N    49.6300  -28.5600
            13  O5x O    48.4400  -26.4600
            14  C1y C    48.4400  -29.2600
            15  C1a C    50.7500  -29.2600
            16  C5x C    47.2500  -28.5600
            17  C1b C    48.4400  -30.5900
            18  C8y C    49.6300  -31.2900
            19  N1x N    46.0600  -29.2600
            20  O5x O    47.2500  -27.1600
            21  C1y C    44.8700  -28.5600
            22  C7x C    44.8700  -27.1600
            23  N1x N    48.4400  -22.2600
            24  C5x C    47.2500  -22.9600
            25  C1y C    46.0600  -22.2600
            26  O5x O    47.2500  -24.3600
            27  N1x N    44.8700  -22.9600
            28  C5x C    43.6800  -22.2600
            29  C1y C    42.4900  -22.9600
            30  O5x O    43.6800  -20.8600
            31  C1y C    42.4900  -24.3600
            32  C1c C    43.6800  -29.2600
            33  C1a C    42.4900  -28.5600
            34  C1b C    43.6800  -30.5900
            35  C1a C    42.4900  -31.2900
            36  O7x O    46.0600  -26.4600
            37  C8x C    49.6300  -32.6200
            38  C8x C    50.8200  -33.3200
            39  C8y C    52.0100  -32.6200
            40  C8x C    52.0100  -31.2900
            41  C8x C    50.8200  -30.5900
            42  O7x O    43.6800  -25.0600
            43  C1a C    41.3000  -25.0600
            44  N1b N    41.3000  -22.2600
            45  C5a C    40.1100  -22.9600
            46  C1c C    38.8500  -22.2600
            47  N1b N    37.6600  -22.9600
            48  O5a O    40.1100  -24.3600
            49  C1b C    38.8500  -20.8600
            50  C1b C    37.6600  -20.1600
            51  C5a C    37.6600  -18.7600
            52  N1a N    36.4700  -18.0600
            53  O5a O    38.8500  -18.0600
            54  C5a C    36.4700  -22.2600
            55  C1c C    35.2800  -22.9600
            56  O5a O    36.4700  -20.8600
            57  O1a O    35.2800  -24.3600
            58  O1a O    53.2700  -33.3200
            59  C1c C    53.3400  -27.1600
            60  C1a C    54.0400  -28.3500
            61  C1a C    54.0400  -25.9000
            62  C1b C    34.0900  -22.2600
            63  C8y C    32.9000  -22.9600
            64  C8x C    31.7100  -22.2600
            65  C8x C    30.4500  -22.9600
            66  C8y C    30.4500  -24.3600
            67  C8x C    31.6400  -25.0600
            68  C8x C    32.9000  -24.3600
            69  O1a O    29.2600  -25.0600
            70  C1b C    46.0600  -20.8600
            71  C1c C    47.2724  -20.1600
            72  C1a C    47.2724  -18.7600
            73  C1a C    48.4679  -20.8504
BOND        76
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 2
            8     3   8 1
            9     8   9 1
            10    8  10 1
            11    4  11 1 #Up
            12    9  12 1
            13    9  13 2
            14   12  14 1
            15   12  15 1
            16   14  16 1
            17   14  17 1 #Up
            18   17  18 1
            19   16  19 1
            20   16  20 2
            21   19  21 1
            22   21  22 1
            23    1  23 1
            24   23  24 1
            25   24  25 1
            26   24  26 2
            27   25  27 1
            28   27  28 1
            29   28  29 1
            30   28  30 2
            31   29  31 1
            32   21  32 1
            33   32  33 1 #Down
            34   32  34 1
            35   34  35 1
            36   22  36 2
            37   18  37 2
            38   37  38 1
            39   38  39 2
            40   39  40 1
            41   40  41 2
            42   18  41 1
            43   31  42 1
            44   42  22 1
            45   31  43 1 #Down
            46   29  44 1 #Down
            47   44  45 1
            48   45  46 1
            49   46  47 1
            50   45  48 2
            51   46  49 1 #Up
            52   49  50 1
            53   50  51 1
            54   51  52 1
            55   51  53 2
            56   47  54 1
            57   54  55 1
            58   54  56 2
            59   55  57 1 #Down
            60   39  58 1
            61   10  59 1
            62   59  60 1
            63   59  61 1
            64   55  62 1
            65   62  63 1
            66   63  64 2
            67   64  65 1
            68   65  66 2
            69   66  67 1
            70   67  68 2
            71   63  68 1
            72   66  69 1
            73   25  70 1 #Up
            74   70  71 1
            75   71  72 1
            76   71  73 1


entry: C15751
name: --- - Spicamycin
formula: C30H51N7O7
kcf:
ATOM        44
            1   O2x O    23.2400  -17.2900
            2   C1y C    23.2400  -18.6900
            3   C1y C    24.4524  -19.3900
            4   C1y C    25.6649  -18.6900
            5   C1y C    25.6649  -17.2900
            6   C1y C    24.4524  -16.5900
            7   O1a O    26.8960  -19.4010
            8   N1b N    26.8960  -16.5790
            9   O1a O    24.4524  -20.7898
            10  N1b N    22.0276  -19.3900
            11  C8y C    20.8321  -18.6996
            12  N5x N    20.8320  -17.2903
            13  C8x C    19.6196  -16.5903
            14  N5x N    18.4072  -17.2903
            15  C8y C    18.4072  -18.6997
            16  C8y C    19.6196  -19.3996
            17  N5x N    17.3668  -19.6365
            18  C8x C    17.9363  -20.9154
            19  N4x N    19.3286  -20.7691
            20  C1c C    24.4524  -15.1902
            21  C1b C    23.2232  -14.4803
            22  O1a O    23.2234  -13.0901
            23  O1a O    25.6480  -14.4998
            24  C5a C    28.0924  -17.2900
            25  C1b C    29.3049  -16.5900
            26  N1b N    30.5173  -17.2900
            27  C5a C    31.7297  -16.5900
            28  C1b C    32.9422  -17.2900
            29  C1b C    34.1546  -16.5900
            30  C1b C    35.3670  -17.2900
            31  C1b C    36.5795  -16.5900
            32  C1b C    37.7919  -17.2900
            33  C1b C    39.0044  -16.5900
            34  C1b C    40.2168  -17.2900
            35  C1b C    41.4292  -16.5900
            36  C1b C    42.6417  -17.2900
            37  C1b C    43.8541  -16.5900
            38  C1b C    45.0665  -17.2900
            39  C1b C    46.2790  -16.5900
            40  C1c C    47.4914  -17.2900
            41  C1a C    48.7038  -16.5900
            42  O5a O    28.0836  -18.6899
            43  O5a O    31.7297  -15.1901
            44  C1a C    47.4914  -18.6896
BOND        46
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     5   8 1
            9     3   9 1
            10    2  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   15  17 1
            19   17  18 2
            20   18  19 1
            21   16  19 1
            22    6  20 1
            23   20  21 1
            24   21  22 1
            25   20  23 1
            26    8  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   24  42 2
            45   27  43 2
            46   40  44 1


entry: C15752
name: --- - Lienomycin
formula: C67H107NO18
kcf:
ATOM        86
            1   C2b C    17.3600  -21.4200
            2   C2b C    18.5724  -20.7200
            3   C1c C    19.7849  -21.4200
            4   C1b C    20.9973  -20.7200
            5   C2b C    22.2097  -21.4200
            6   C2b C    23.4222  -20.7200
            7   C1y C    24.6346  -21.4200
            8   C1x C    25.8470  -20.7200
            9   C1y C    27.0595  -21.4200
            10  C1x C    28.2719  -20.7200
            11  C1y C    29.4844  -21.4200
            12  C1x C    30.6968  -20.7200
            13  C1y C    31.9092  -21.4200
            14  C1x C    33.1217  -20.7200
            15  C2x C    34.3341  -21.4200
            16  C2x C    35.5465  -20.7200
            17  C1y C    36.7590  -21.4200
            18  C1x C    37.9714  -20.7200
            19  C1y C    39.1838  -21.4200
            20  C1x C    40.3963  -20.7200
            21  C1y C    41.6087  -21.4200
            22  C1x C    42.8211  -20.7200
            23  C5x C    44.0336  -21.4200
            24  C1y C    45.2460  -20.7200
            25  C1y C    46.4585  -21.4200
            26  O2a O    47.6709  -20.7200
            27  C1x C    46.4585  -22.8200
            28  C2x C    47.6870  -23.5294
            29  C2y C    47.6870  -24.9294
            30  C1x C    46.4576  -25.6200
            31  C1x C    45.2451  -24.9200
            32  C2x C    44.0327  -25.6200
            33  C2x C    42.8203  -24.9200
            34  C1y C    41.6078  -25.6200
            35  C1y C    40.3954  -24.9200
            36  C1y C    39.1830  -25.6200
            37  C1y C    37.9705  -24.9200
            38  C2x C    36.7581  -25.6200
            39  C2x C    35.5456  -24.9200
            40  C2x C    34.3332  -25.6200
            41  C2x C    33.1208  -24.9200
            42  C2x C    31.9083  -25.6200
            43  C2x C    30.6959  -24.9200
            44  C2x C    29.4835  -25.6200
            45  C2x C    28.2710  -24.9200
            46  C2x C    27.0586  -25.6200
            47  C2x C    25.8462  -24.9200
            48  C1x C    24.6337  -25.6200
            49  C1x C    23.4213  -24.9200
            50  C1a C    45.2460  -19.3202
            51  O5x O    44.0336  -22.8200
            52  O1a O    41.6087  -22.6797
            53  O1a O    39.1838  -22.8199
            54  O1a O    36.7590  -22.6800
            55  O1a O    31.9092  -22.8200
            56  O1a O    29.4844  -22.8199
            57  O1a O    27.0595  -22.8197
            58  O7x O    24.6346  -22.8200
            59  C7x C    23.4262  -23.5177
            60  O7x O    22.2339  -22.8263
            61  O1a O    19.7849  -22.8198
            62  C1b C    16.1476  -20.7200
            63  C1c C    14.9521  -21.4104
            64  C1b C    13.7647  -20.7249
            65  O1a O    14.9520  -22.8197
            66  C1b C    12.5735  -21.4129
            67  C1b C    11.3840  -20.7262
            68  N1a N    10.1939  -21.4135
            69  C1a C    37.9705  -23.5203
            70  O1a O    39.1830  -27.0199
            71  C1a C    40.3954  -23.5200
            72  O1a O    41.6078  -27.0197
            73  C1b C    48.8785  -25.6267
            74  C1b C    50.0838  -24.9401
            75  C2b C    51.2582  -25.6272
            76  C2a C    52.4639  -24.9403
            77  C1y C    47.6709  -19.3200
            78  C1y C    48.8827  -18.6204
            79  C1y C    48.8827  -17.2204
            80  C1y C    47.6702  -16.5204
            81  C1y C    46.4585  -17.2200
            82  O2x O    46.4585  -18.6200
            83  C1a C    45.2623  -16.5292
            84  O1a O    47.6702  -15.1200
            85  O1a O    50.0781  -16.5300
            86  O1a O    50.0778  -19.3106
BOND        87
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 1
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 2
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 2
            39   39  40 1
            40   40  41 2
            41   41  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   45  46 1
            46   46  47 2
            47   47  48 1
            48   48  49 1
            49   24  50 1
            50   23  51 2
            51   21  52 1
            52   19  53 1
            53   17  54 1
            54   13  55 1
            55   11  56 1
            56    9  57 1
            57    7  58 1
            58   58  59 1
            59   59  49 1
            60   59  60 2
            61    3  61 1
            62    1  62 1
            63   62  63 1
            64   63  64 1
            65   63  65 1
            66   64  66 1
            67   66  67 1
            68   67  68 1
            69   37  69 1
            70   36  70 1
            71   35  71 1
            72   34  72 1
            73   29  73 1
            74   73  74 1
            75   74  75 1
            76   75  76 2
            77   77  26 1
            78   77  78 1
            79   78  79 1
            80   79  80 1
            81   80  81 1
            82   81  82 1
            83   77  82 1
            84   81  83 1
            85   80  84 1
            86   79  85 1
            87   78  86 1


entry: C15753
name: --- - Dihydroalbocycline
formula: C18H30O4
kcf:
ATOM        22
            1   C1y C    23.1000  -23.5200
            2   C1y C    23.1000  -22.1200
            3   C1a C    24.2900  -21.4200
            4   C1x C    25.5500  -22.1200
            5   C7x C    25.5500  -23.5200
            6   O7x O    24.2900  -24.2200
            7   C1x C    21.9100  -21.4200
            8   C1x C    21.9100  -20.0200
            9   C2x C    23.1000  -19.3200
            10  C2x C    25.5500  -19.3200
            11  C1z C    26.7400  -20.0200
            12  C1x C    26.7400  -21.4200
            13  C2y C    23.1000  -17.9200
            14  C1y C    24.2900  -17.2200
            15  C2x C    25.5500  -17.9200
            16  C1a C    21.9100  -24.2200
            17  C1a C    21.9100  -17.2200
            18  O2a O    24.2900  -15.8200
            19  O7x O    26.7400  -24.2200
            20  O1a O    26.7400  -18.6200
            21  C1a C    28.0923  -20.3823
            22  C1a C    25.5024  -15.1200
BOND        22
            1     1   2 1
            2     2   3 1 #Down
            3     4   5 1
            4     5   6 1
            5     1   6 1
            6     2   7 1
            7     7   8 1
            8     8   9 1
            9    10  11 1
            10   11  12 1
            11    4  12 1
            12    9  13 2
            13   13  14 1
            14   14  15 1
            15   15  10 2
            16    1  16 1 #Down
            17   13  17 1
            18   14  18 1 #Up
            19    5  19 2
            20   11  20 1 #Up
            21   11  21 1 #Down
            22   18  22 1


entry: C15754
name: --- - Septacidin
formula: C30H51N7O7
kcf:
ATOM        44
            1   O2x O    31.8500  -25.9700
            2   C1y C    31.8500  -27.3700
            3   C1y C    33.0400  -28.0700
            4   C1y C    34.3000  -27.3700
            5   C1y C    34.3000  -25.9700
            6   C1y C    33.0400  -25.2700
            7   O1a O    35.4900  -28.0700
            8   N1b N    35.4900  -25.2700
            9   O1a O    33.0400  -29.4700
            10  N1b N    30.6600  -28.0700
            11  C8y C    29.4000  -27.3700
            12  N5x N    29.4000  -25.9700
            13  C8x C    28.2100  -25.2700
            14  N5x N    27.0200  -25.9700
            15  C8y C    27.0200  -27.3700
            16  C8y C    28.2100  -28.0700
            17  N5x N    25.9700  -28.2800
            18  C8x C    26.5300  -29.6100
            19  N4x N    27.9300  -29.4700
            20  C1c C    33.0400  -23.8700
            21  C1b C    31.8500  -23.1700
            22  O1a O    31.8500  -21.7700
            23  O1a O    34.2300  -23.1700
            24  C5a C    36.6800  -25.9700
            25  C1b C    37.8700  -25.2700
            26  N1b N    39.1300  -25.9700
            27  C5a C    40.3200  -25.2700
            28  C1b C    41.5100  -25.9700
            29  C1b C    42.7700  -25.2700
            30  C1b C    43.9600  -25.9700
            31  C1b C    45.1500  -25.2700
            32  C1b C    46.4100  -25.9700
            33  C1b C    47.6000  -25.2700
            34  C1b C    48.7900  -25.9700
            35  C1b C    50.0500  -25.2700
            36  C1b C    51.2400  -25.9700
            37  C1b C    52.4300  -25.2700
            38  C1b C    53.6900  -25.9700
            39  C1b C    54.8800  -25.2700
            40  C1c C    56.0700  -25.9700
            41  C1a C    57.3300  -25.2700
            42  O5a O    36.6800  -27.3700
            43  O5a O    40.3200  -23.8700
            44  C1a C    56.0700  -27.3700
BOND        46
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1 #Up
            8     5   8 1 #Down
            9     3   9 1 #Down
            10    2  10 1 #Up
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   15  17 1
            19   17  18 2
            20   18  19 1
            21   16  19 1
            22    6  20 1 #Up
            23   20  21 1
            24   21  22 1
            25   20  23 1
            26    8  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   24  42 2
            45   27  43 2
            46   40  44 1


entry: C15755
name: --- - Dihydropicromycin
formula: C28H49NO8
kcf:
ATOM        37
            1   C1x C    17.5000  -16.2400
            2   C1x C    17.5000  -17.6400
            3   C1x C    19.9249  -17.6400
            4   C1y C    19.9249  -16.2400
            5   C5x C    18.7124  -15.5400
            6   C1y C    19.9249  -20.4400
            7   C1y C    21.1373  -19.7400
            8   C1y C    21.1373  -18.3400
            9   C1z C    16.2876  -18.3400
            10  C1y C    16.2876  -19.7400
            11  O7x O    17.5000  -20.4400
            12  C7x C    17.5000  -21.8400
            13  C1y C    18.7124  -22.5400
            14  C5x C    19.9249  -21.8400
            15  O7x O    16.2876  -22.5400
            16  C1b C    15.0921  -20.4304
            17  C1a C    13.9047  -19.7449
            18  O1a O    14.9353  -18.7023
            19  O5x O    18.7124  -14.1402
            20  C1a C    21.1560  -15.5290
            21  C1a C    22.3518  -17.6388
            22  O2a O    22.3518  -20.4412
            23  C1y C    23.5483  -19.7502
            24  C1a C    18.7314  -19.7507
            25  O5x O    21.1560  -22.5510
            26  C1a C    18.7124  -23.9398
            27  C1y C    24.7351  -20.4354
            28  C1y C    25.9475  -19.7353
            29  C1x C    25.9475  -18.3353
            30  C1y C    24.7606  -17.6502
            31  O2x O    23.5482  -18.3502
            32  C1a C    24.7605  -16.2401
            33  O1a O    24.7352  -21.8398
            34  N1c N    27.1788  -20.4463
            35  C1a C    28.3798  -19.7528
            36  C1a C    27.1787  -21.8399
            37  C1a C    15.9252  -16.9877
BOND        38
            1     1   2 1
            2     3   4 1
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     7   8 1
            7     3   8 1
            8     2   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14   6 1
            15   12  15 2
            16   10  16 1
            17   16  17 1
            18    9  18 1
            19    5  19 2
            20    4  20 1
            21    8  21 1
            22    7  22 1
            23   22  23 1
            24    6  24 1
            25   14  25 2
            26   13  26 1
            27   23  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   23  31 1
            33   30  32 1
            34   27  33 1
            35   28  34 1
            36   34  35 1
            37   34  36 1
            38    9  37 1


entry: C15756
name: --- - Antibiotic TA
formula: C35H61NO8
kcf:
ATOM        44
            1   C1x C    10.6400  -16.5900
            2   C5x C    10.6400  -17.9900
            3   C1x C    11.8524  -18.6900
            4   C1x C    13.0649  -16.5900
            5   C1x C    11.8524  -15.8900
            6   C1a C    15.4897  -17.9900
            7   C1y C    15.4897  -16.5900
            8   C1x C    14.2773  -15.8900
            9   C1a C    17.9146  -17.9900
            10  C1y C    17.9146  -16.5900
            11  C1x C    16.7022  -15.8900
            12  O7x O    20.3395  -16.5900
            13  C7x C    19.1270  -15.8900
            14  N1x N    22.7644  -17.9900
            15  C5x C    22.7644  -16.5900
            16  C1y C    21.5519  -15.8900
            17  C1x C    22.7644  -20.7900
            18  C1y C    23.9768  -20.0900
            19  C1x C    23.9768  -18.6900
            20  C1x C    20.3395  -22.1900
            21  C1y C    21.5519  -22.8900
            22  C1y C    22.7644  -22.1900
            23  C1x C    11.8524  -20.0900
            24  C1x C    13.0649  -20.7900
            25  C1y C    13.0649  -22.1900
            26  C2x C    14.2773  -22.8900
            27  C2x C    15.4897  -22.1900
            28  C2x C    16.7022  -22.8900
            29  C2y C    17.9146  -22.1900
            30  C1b C    17.9146  -20.7900
            31  C1x C    19.1270  -22.8900
            32  O2a O    19.1270  -20.0900
            33  O1a O    25.2139  -20.8046
            34  O1a O    23.9660  -22.8838
            35  O1a O    21.5519  -24.2900
            36  C1b C    11.8714  -22.8793
            37  C1a C    10.6850  -22.1944
            38  O5x O     9.4276  -18.6900
            39  O7x O    19.1270  -14.4901
            40  C1b C    21.5519  -14.4900
            41  C1b C    22.7704  -13.7865
            42  C1a C    22.7704  -12.3901
            43  O5x O    23.9660  -15.8962
            44  C1a C    19.1270  -18.6900
BOND        44
            1     1   2 1
            2     2   3 1
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     7   8 1
            7     4   8 1
            8     9  10 1
            9    10  11 1
            10    7  11 1
            11   12  13 1
            12   10  13 1
            13   14  15 1
            14   15  16 1
            15   12  16 1
            16   17  18 1
            17   18  19 1
            18   14  19 1
            19   20  21 1
            20   21  22 1
            21   17  22 1
            22    3  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   29  31 1
            31   31  20 1
            32   30  32 1
            33   18  33 1
            34   22  34 1
            35   21  35 1
            36   25  36 1
            37   36  37 1
            38    2  38 2
            39   13  39 2
            40   16  40 1
            41   40  41 1
            42   41  42 1
            43   15  43 2
            44   32  44 1


entry: C15757
name: --- - Enniatin B4 - Enniatin D
formula: C34H59N3O9
kcf:
ATOM        46
            1   C1y C    44.6769  -25.0555
            2   C7x C    44.6769  -26.4517
            3   O7x O    43.3505  -26.9404
            4   C1y C    43.4901  -28.3365
            5   C5x C    42.2336  -28.9648
            6   N1y N    41.1166  -28.0573
            7   C1y C    39.9997  -28.8950
            8   C7x C    38.7431  -28.2667
            9   O7x O    38.8827  -26.8705
            10  C1y C    37.5563  -26.3819
            11  C5x C    37.5563  -24.9857
            12  N1y N    38.8827  -24.4970
            13  C1y C    38.7431  -23.1008
            14  C7x C    39.9997  -22.4725
            15  O7x O    41.1166  -23.3801
            16  C1y C    42.2336  -22.5424
            17  C5x C    43.4901  -23.1706
            18  N1y N    43.3505  -24.5668
            19  C1a C    40.0695  -25.2649
            20  C1a C    42.1638  -25.2649
            21  C1a C    41.1166  -26.6611
            22  O5x O    44.7129  -22.4967
            23  C1c C    42.1082  -21.1519
            24  C1a C    41.0374  -20.4887
            25  C1a C    43.2428  -20.3527
            26  C1c C    37.5203  -22.4269
            27  C1a C    36.3119  -23.1575
            28  C1a C    37.4925  -21.0065
            29  O5x O    36.4111  -24.1871
            30  C1c C    36.4111  -27.1805
            31  C1a C    35.1590  -26.5932
            32  C1a C    36.5281  -28.5432
            33  O7x O    37.5203  -28.9407
            34  C1c C    40.1250  -30.2855
            35  C1a C    41.3360  -30.8787
            36  C1a C    38.9904  -31.0846
            37  O5x O    42.0812  -30.3526
            38  C1c C    44.7129  -29.0105
            39  C1a C    45.9213  -28.2799
            40  C1a C    44.7407  -30.4308
            41  O7x O    45.8222  -27.2503
            42  C1b C    45.8222  -24.2569
            43  C1c C    47.0743  -24.8442
            44  C1a C    48.2027  -24.0576
            45  C1a C    47.1929  -26.2350
            46  O7x O    40.1523  -21.0819
BOND        46
            1    13  14 1
            2    14  15 1
            3    11  12 1
            4    16  17 1
            5    17  18 1
            6    15  16 1
            7     1  18 1
            8     1   2 1
            9     2   3 1
            10    4   5 1
            11    5   6 1
            12    6   7 1
            13    3   4 1
            14    8   9 1
            15    9  10 1
            16   10  11 1
            17    7   8 1
            18   12  13 1
            19   12  19 1
            20   18  20 1
            21    6  21 1
            22   17  22 2
            23   16  23 1 #Down
            24   23  24 1
            25   23  25 1
            26   13  26 1 #Up
            27   26  27 1
            28   26  28 1
            29   11  29 2
            30   10  30 1 #Down
            31   30  31 1
            32   30  32 1
            33    8  33 2
            34    7  34 1 #Up
            35   34  35 1
            36   34  36 1
            37    5  37 2
            38    4  38 1 #Down
            39   38  39 1
            40   38  40 1
            41    2  41 2
            42    1  42 1 #Up
            43   42  43 1
            44   43  44 1
            45   43  45 1
            46   14  46 2


entry: C15758
name: --- - Lankacidin C
formula: C25H33NO7
kcf:
ATOM        33
            1   C1y C    28.6300  -20.5800
            2   C1y C    28.6300  -21.9800
            3   O7x O    29.8200  -22.6800
            4   C7x C    31.0800  -21.9800
            5   C1z C    31.0800  -20.5800
            6   C5x C    29.8200  -19.8800
            7   C1y C    32.2700  -19.8800
            8   C2x C    29.8200  -24.0800
            9   C2y C    31.0800  -24.7800
            10  C2x C    32.2700  -24.0800
            11  C1x C    27.4400  -22.6800
            12  C1y C    27.4400  -24.0800
            13  C2x C    28.6300  -24.7800
            14  C1x C    33.4600  -24.7800
            15  C1y C    34.7200  -24.0800
            16  C2x C    34.7200  -22.6800
            17  C2x C    35.6300  -21.6300
            18  C2y C    34.9300  -20.4400
            19  C2x C    33.5300  -20.7200
            20  N1b N    32.2700  -18.4800
            21  C1a C    31.0972  -26.1799
            22  O7x O    32.2866  -22.6900
            23  C1a C    27.4147  -19.8849
            24  C1a C    30.9400  -19.1800
            25  O1a O    26.2247  -24.7751
            26  O1a O    35.9266  -24.7900
            27  O5x O    29.8028  -18.4801
            28  C5a C    33.4824  -17.7800
            29  C5a C    33.4824  -16.3800
            30  C1a C    34.6779  -15.6896
            31  O5a O    32.2533  -15.6702
            32  O5a O    34.6779  -18.4704
            33  C1a C    35.5019  -19.1622
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     8   9 1
            9     9  10 2
            10    2  11 1
            11   11  12 1
            12   12  13 1
            13    8  13 2
            14   10  14 1
            15   14  15 1
            16   15  16 1
            17   17  18 1
            18   18  19 2
            19   17  16 2
            20    7  19 1
            21    7  20 1 #Down
            22    9  21 1
            23    4  22 2
            24    1  23 1 #Up
            25    5  24 1 #Up
            26   12  25 1 #Up
            27   15  26 1 #Up
            28    6  27 2
            29   20  28 1
            30   28  29 1
            31   29  30 1
            32   29  31 2
            33   28  32 2
            34   18  33 1


entry: C15759
name: --- - Hedamycin
formula: C41H50N2O11
kcf:
ATOM        54
            1   C8y C    15.4000  -21.7000
            2   C8x C    15.4000  -23.1000
            3   C8y C    16.6124  -23.8000
            4   C8y C    17.8249  -23.1000
            5   C8y C    17.8249  -21.7000
            6   C8y C    16.6124  -21.0000
            7   C5x C    19.0373  -23.8000
            8   C8y C    20.2497  -23.1000
            9   C8y C    20.2497  -21.7000
            10  C5x C    19.0373  -21.0000
            11  C8x C    21.4622  -23.8000
            12  C8y C    22.6746  -23.1000
            13  C8y C    22.6746  -21.7000
            14  C8y C    21.4622  -21.0000
            15  C8y C    23.8870  -21.0000
            16  C8x C    23.8870  -19.6000
            17  C8y C    22.6746  -18.9000
            18  O2x O    21.4622  -19.6000
            19  C1y C    16.6124  -25.1998
            20  C1y C    14.1876  -21.0000
            21  O2x O    14.1876  -19.6002
            22  C1y C    12.9751  -18.9002
            23  C1y C    11.7627  -19.6002
            24  C1z C    11.7627  -21.0000
            25  C1x C    12.9751  -21.7000
            26  C1x C    15.3832  -25.9097
            27  C1y C    15.3834  -27.3097
            28  C1y C    16.5959  -28.0096
            29  C1y C    17.8251  -27.2997
            30  O2x O    17.8249  -25.8997
            31  C1z C    22.6746  -17.5000
            32  O2x O    23.3746  -16.2876
            33  C1y C    21.9746  -16.2876
            34  C1y C    20.7759  -15.5957
            35  C1y C    19.3759  -15.5957
            36  O2x O    20.0759  -14.3833
            37  C1a C    18.1680  -16.2932
            38  C1a C    23.8870  -18.2000
            39  O5x O    25.0866  -21.6927
            40  C1a C    23.8911  -23.8023
            41  O5x O    19.0373  -25.2000
            42  O5x O    19.0373  -19.6000
            43  O1a O    16.6124  -19.6002
            44  C1a C    19.0563  -28.0106
            45  O1a O    16.5960  -29.4000
            46  N1c N    14.1877  -28.0002
            47  C1a C    12.9919  -27.3098
            48  C1a C    14.1878  -29.3998
            49  C1a C    12.9751  -17.5002
            50  O1a O    10.5482  -18.8990
            51  N1c N    11.4003  -22.3523
            52  C1a C    10.4104  -20.6376
            53  C1a C    10.0627  -22.7105
            54  C1a C    12.3839  -23.3358
BOND        61
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   13  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   14  18 1
            22    3  19 1
            23    1  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   20  25 1
            30   19  26 1
            31   26  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   19  30 1
            36   17  31 1
            37   31  32 1
            38   31  33 1
            39   33  32 1
            40   33  34 1
            41   34  35 1
            42   34  36 1
            43   36  35 1
            44   35  37 1
            45   31  38 1
            46   15  39 2
            47   12  40 1
            48    7  41 2
            49   10  42 2
            50    6  43 1
            51   29  44 1
            52   28  45 1
            53   27  46 1
            54   46  47 1
            55   46  48 1
            56   22  49 1
            57   23  50 1
            58   24  51 1
            59   24  52 1
            60   51  53 1
            61   51  54 1


entry: C15760
name: --- - Pederin
formula: C25H45NO9
kcf:
ATOM        35
            1   C1z C    33.8800  -21.1400
            2   O2x O    33.8800  -22.5400
            3   C1y C    35.0924  -23.2400
            4   C1y C    36.3049  -22.5400
            5   C2y C    36.3049  -21.1400
            6   C1x C    35.0924  -20.4400
            7   C1c C    32.6676  -20.4400
            8   C5a C    31.4551  -21.1400
            9   N1b N    30.2427  -20.4400
            10  C1c C    29.0303  -21.1400
            11  C1y C    27.8178  -20.4400
            12  O2x O    27.8178  -19.0403
            13  C1y C    26.6054  -18.3403
            14  C1z C    25.3929  -19.0403
            15  C1y C    25.3930  -20.4400
            16  C1x C    26.6054  -21.1400
            17  C1a C    37.5360  -23.2510
            18  C1a C    35.0924  -24.6398
            19  O1a O    32.6676  -19.0402
            20  O2a O    29.0303  -22.5399
            21  O5a O    31.4551  -22.5398
            22  C2a C    37.5360  -20.4290
            23  O2a O    33.8800  -19.7400
            24  C1a C    35.0924  -19.0400
            25  C1a C    30.2575  -23.2485
            26  O1a O    24.1934  -21.1327
            27  C1a C    25.0306  -17.7580
            28  C1a C    24.0406  -19.4026
            29  C1b C    26.6054  -16.9400
            30  C1c C    25.3889  -16.2377
            31  O2a O    24.1914  -16.9292
            32  C1b C    25.3889  -14.8402
            33  O2a O    24.1923  -14.1492
            34  C1a C    23.0051  -16.2443
            35  C1a C    24.1923  -12.7492
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18    4  17 1 #Up
            19    3  18 1 #Up
            20    7  19 1 #Up
            21   10  20 1 #Up
            22    8  21 2
            23    5  22 2
            24    1  23 1 #Down
            25   23  24 1
            26   20  25 1
            27   15  26 1 #Up
            28   14  27 1
            29   14  28 1
            30   13  29 1 #Up
            31   29  30 1
            32   30  31 1 #Down
            33   30  32 1
            34   32  33 1
            35   31  34 1
            36   33  35 1


entry: C15761
name: --- - Concanamycin A
formula: C46H75NO14
kcf:
ATOM        61
            1   C7x C    32.6200  -17.3600
            2   O7x O    32.6200  -18.7600
            3   C2x C    35.0449  -17.3600
            4   C2y C    33.8324  -16.6600
            5   C1a C    36.2573  -19.4600
            6   C2x C    37.4697  -17.3600
            7   C2y C    36.2573  -16.6600
            8   C1y C    38.6822  -19.4600
            9   C1y C    39.8946  -18.7600
            10  C1y C    39.8946  -17.3600
            11  C1y C    38.6822  -16.6600
            12  C1y C    31.4076  -19.4600
            13  C1y C    31.4076  -20.8600
            14  C2x C    32.6200  -21.5600
            15  C2x C    33.8324  -20.8600
            16  C2x C    35.0449  -21.5600
            17  C2y C    36.2573  -20.8600
            18  C1x C    37.4697  -21.5600
            19  C1y C    38.6822  -20.8600
            20  C1a C    36.2573  -15.2600
            21  O2a O    33.8324  -15.2602
            22  C1a C    32.6032  -14.5504
            23  O7x O    31.4076  -16.6600
            24  O1a O    37.4908  -18.7719
            25  C1a C    39.9153  -21.5722
            26  O2a O    30.2121  -21.5504
            27  C1b C    41.1111  -19.4623
            28  O1a O    41.1111  -16.6577
            29  C1a C    38.6822  -15.2603
            30  C1a C    42.3086  -18.7708
            31  C1c C    30.2121  -18.7696
            32  C1c C    29.0247  -19.4551
            33  C1c C    27.8335  -18.7671
            34  C1a C    30.2121  -22.9504
            35  C1a C    30.1420  -17.3603
            36  O1a O    29.0245  -20.8598
            37  C1z C    26.6440  -19.4538
            38  O2x O    25.4539  -18.7665
            39  C1y C    24.2413  -19.4663
            40  C1y C    24.2411  -20.8663
            41  C1y C    25.4313  -21.5537
            42  C1x C    26.6438  -20.8538
            43  C1a C    27.8335  -17.3671
            44  O1a O    26.6440  -18.0538
            45  C2b C    23.0103  -18.7553
            46  C2b C    21.8106  -19.4478
            47  C1a C    20.6256  -18.7634
            48  C1a C    23.0157  -21.5738
            49  O2a O    25.4312  -22.9598
            50  C1y C    24.2029  -23.6691
            51  O2x O    22.9995  -22.9742
            52  C1y C    21.7870  -23.6742
            53  C1y C    21.7869  -25.0742
            54  C1y C    22.9903  -25.7690
            55  C1x C    24.2028  -25.0691
            56  C1a C    20.5557  -22.9633
            57  O1a O    22.9900  -27.1597
            58  O7a O    20.5681  -25.7779
            59  C7a C    19.3570  -25.0787
            60  N1a N    18.1774  -25.7597
            61  O7a O    19.3565  -23.6604
BOND        63
            1     1   2 1
            2     3   4 2
            3     1   4 1
            4     6   7 2
            5     3   7 1
            6     8   9 1
            7     9  10 1
            8    10  11 1
            9     6  11 1
            10    2  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17   5 1
            17   17  18 1
            18   18  19 1
            19   19   8 1
            20    7  20 1
            21    4  21 1
            22   21  22 1
            23    1  23 2
            24    8  24 1 #Down
            25   19  25 1 #Down
            26   13  26 1 #Down
            27    9  27 1 #Up
            28   10  28 1 #Up
            29   11  29 1 #Up
            30   27  30 1
            31   12  31 1
            32   31  32 1
            33   32  33 1
            34   26  34 1
            35   31  35 1 #Down
            36   32  36 1 #Up
            37   33  37 1
            38   37  38 1
            39   38  39 1
            40   39  40 1
            41   40  41 1
            42   41  42 1
            43   37  42 1
            44   33  43 1 #Up
            45   37  44 1 #Down
            46   39  45 1 #Up
            47   45  46 2
            48   46  47 1
            49   40  48 1 #Down
            50   41  49 1 #Up
            51   50  49 1 #Up
            52   50  51 1
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   50  55 1
            58   52  56 1 #Up
            59   54  57 1 #Up
            60   53  58 1 #Down
            61   58  59 1
            62   59  60 1
            63   59  61 2


entry: C15762
name: --- - Onnamide A - Onnamide
formula: C39H63N5O12
kcf:
ATOM        56
            1   O2x O    29.5717  -27.8064
            2   C1x C    29.5717  -29.2079
            3   O2x O    30.7854  -29.9086
            4   C1y C    31.9992  -29.2079
            5   C1y C    31.9992  -27.8064
            6   C1y C    30.7854  -27.1056
            7   C1y C    33.2129  -29.9086
            8   C1z C    34.4267  -29.2079
            9   C1y C    34.4267  -27.8064
            10  O2x O    33.2129  -27.1056
            11  C1b C    35.6207  -27.1056
            12  C1c C    36.8345  -27.8064
            13  C1b C    38.0482  -27.1056
            14  C1b C    39.2619  -27.8064
            15  C1b C    40.4757  -27.1056
            16  C2b C    41.6894  -27.8064
            17  C2b C    42.9031  -27.1056
            18  C2b C    44.1169  -27.8064
            19  C2b C    45.3306  -27.1056
            20  C2b C    46.5444  -27.8064
            21  C2b C    47.7582  -27.1056
            22  C5a C    48.9719  -27.8064
            23  N1b N    50.1857  -27.1056
            24  C1c C    51.3994  -27.8064
            25  C1b C    52.6131  -27.1056
            26  O1a O    36.8345  -29.2077
            27  O5a O    48.9719  -29.2079
            28  C6a C    51.3994  -29.2075
            29  O6a O    50.1602  -29.9233
            30  O6a O    52.5875  -29.8936
            31  C1b C    53.8369  -27.8123
            32  C1b C    55.0388  -27.1182
            33  N1b N    56.2249  -27.8029
            34  C2c C    57.4188  -27.1135
            35  N1a N    58.6088  -27.8005
            36  N2a N    57.4188  -25.7044
            37  N1b N    30.7854  -25.7041
            38  C5a C    29.5550  -24.9935
            39  C1c C    29.5550  -23.5920
            40  O5a O    28.3497  -25.6895
            41  O1a O    30.7769  -22.8864
            42  C1z C    28.3580  -22.9011
            43  O2x O    28.3579  -21.4997
            44  C1y C    27.1442  -20.7990
            45  C1y C    25.9304  -21.4998
            46  C2y C    25.9305  -22.9012
            47  C1x C    27.1443  -23.6018
            48  O2a O    29.5717  -22.2003
            49  C1a C    29.5675  -20.7988
            50  C1a C    27.1441  -19.3975
            51  C1a C    24.7146  -20.7979
            52  C2a C    24.7148  -23.6031
            53  C1a C    34.7895  -30.5616
            54  O2a O    33.2129  -31.3101
            55  C1a C    34.4288  -32.0121
            56  C1a C    35.7804  -28.8452
BOND        58
            1     1   2 1
            2     2   3 1
            3     4   3 1 #Up
            4     4   5 1
            5     5   6 1
            6     6   1 1 #Down
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1 #Down
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   12  26 1 #Up
            28   22  27 2
            29   24  28 1
            30   28  29 2
            31   28  30 1
            32   25  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   34  36 2
            38    6  37 1
            39   37  38 1
            40   38  39 1
            41   38  40 2
            42   39  41 1 #Down
            43   39  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   46  47 1
            49   42  47 1
            50   42  48 1 #Down
            51   48  49 1
            52   44  50 1 #Up
            53   45  51 1 #Up
            54   46  52 2
            55    8  53 1
            56    7  54 1 #Down
            57   54  55 1
            58    8  56 1


entry: C15763
name: --- - SW 163C
formula: C52H60N10O14S2
kcf:
ATOM        78
            1   N1x N    21.3500  -23.3800
            2   C5x C    21.3500  -21.9800
            3   C5x C    23.8000  -23.3800
            4   C1y C    22.5400  -24.0800
            5   C1y C    26.1800  -23.3800
            6   N1y N    24.9900  -24.0800
            7   N1y N    28.6300  -23.3800
            8   C5x C    27.4400  -24.0800
            9   O7x O    31.0800  -21.9800
            10  C7x C    31.0800  -23.3800
            11  C1z C    29.8200  -24.0800
            12  C1y C    20.1600  -21.2800
            13  C1x C    20.1600  -19.8800
            14  O7x O    21.3500  -19.1800
            15  C5x C    31.0800  -19.1800
            16  C1y C    32.2700  -19.8800
            17  C1x C    32.2700  -21.2800
            18  C7x C    21.3500  -17.7800
            19  C1z C    22.5400  -17.0800
            20  N1y N    23.8000  -17.7800
            21  C5x C    24.9900  -17.0800
            22  C1y C    26.1800  -17.7800
            23  N1y N    27.4400  -17.0800
            24  C5x C    28.6300  -17.7800
            25  C1y C    29.8200  -17.0800
            26  N1x N    31.0800  -17.7800
            27  O5x O    29.8900  -19.8800
            28  C1a C    29.8200  -15.6800
            29  O5x O    28.6300  -19.1800
            30  C1a C    27.4400  -15.6800
            31  C1x C    26.1800  -19.1800
            32  S3x S    24.9900  -19.8800
            33  S3x S    24.9900  -21.2800
            34  C1x C    26.1800  -21.9800
            35  O5x O    24.9900  -15.6800
            36  C1a C    23.8000  -19.1800
            37  O7x O    20.1600  -17.0800
            38  N1b N    18.9700  -21.9800
            39  C5a C    17.7800  -21.2800
            40  C8y C    16.5900  -21.9800
            41  O5a O    17.7800  -19.8800
            42  O5x O    22.5400  -21.2800
            43  C1a C    22.5400  -25.4800
            44  O5x O    23.8000  -21.9800
            45  C1a C    24.9900  -25.4800
            46  O5x O    27.4400  -25.4800
            47  C1a C    28.6300  -21.9800
            48  O7x O    32.2700  -24.0800
            49  N1b N    33.4600  -19.1800
            50  C5a C    34.6500  -19.8800
            51  C8y C    35.8400  -19.1800
            52  O5a O    34.6500  -21.2800
            53  C8y C    16.5900  -23.3800
            54  C8x C    15.3300  -24.0800
            55  C8y C    14.1400  -23.3800
            56  C8y C    14.1400  -21.9800
            57  N5x N    15.3300  -21.2800
            58  C8x C    12.9500  -24.0800
            59  C8x C    11.6900  -23.3800
            60  C8x C    11.6900  -21.9800
            61  C8x C    12.9500  -21.2800
            62  O1a O    17.7800  -24.0800
            63  C8y C    35.8400  -17.7800
            64  C8x C    37.1000  -17.0800
            65  C8y C    38.2900  -17.7800
            66  C8y C    38.2900  -19.1800
            67  N5x N    37.1000  -19.8800
            68  C8x C    39.4800  -17.0800
            69  C8x C    40.7400  -17.7800
            70  C8x C    40.7400  -19.1800
            71  C8x C    39.4800  -19.8800
            72  O1a O    34.6500  -17.0800
            73  C1x C    30.5200  -25.2700
            74  C1y C    29.1200  -25.2700
            75  C1a C    28.1400  -26.2500
            76  C1x C    21.8400  -15.8900
            77  C1y C    23.2400  -15.8900
            78  C1a C    24.2200  -14.9100
BOND        85
            1     1   2 1
            2     3   4 1
            3     1   4 1
            4     5   6 1
            5     3   6 1
            6     7   8 1
            7     5   8 1
            8     9  10 1
            9    10  11 1
            10    7  11 1
            11    2  12 1
            12   12  13 1
            13   13  14 1
            14   15  16 1
            15   16  17 1
            16    9  17 1
            17   14  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  15 1
            27   15  27 2
            28   25  28 1
            29   24  29 2
            30   23  30 1
            31   22  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35    5  34 1
            36   21  35 2
            37   20  36 1
            38   18  37 2
            39   12  38 1
            40   38  39 1
            41   39  40 1
            42   39  41 2
            43    2  42 2
            44    4  43 1
            45    3  44 2
            46    6  45 1
            47    8  46 2
            48    7  47 1
            49   10  48 2
            50   16  49 1
            51   49  50 1
            52   50  51 1
            53   50  52 2
            54   40  53 1
            55   53  54 2
            56   54  55 1
            57   55  56 2
            58   56  57 1
            59   40  57 2
            60   55  58 1
            61   58  59 2
            62   59  60 1
            63   60  61 2
            64   56  61 1
            65   53  62 1
            66   51  63 1
            67   63  64 2
            68   64  65 1
            69   65  66 2
            70   66  67 1
            71   51  67 2
            72   65  68 1
            73   68  69 2
            74   69  70 1
            75   70  71 2
            76   66  71 1
            77   63  72 1
            78   11  73 1
            79   11  74 1
            80   74  73 1
            81   74  75 1
            82   19  76 1
            83   19  77 1
            84   76  77 1
            85   77  78 1


entry: C15764
name: --- - UK 63598
formula: C53H62N10O14S2
kcf:
ATOM        79
            1   C1y C    19.9500  -23.1000
            2   C1x C    19.9500  -21.7000
            3   O7x O    21.1400  -21.0000
            4   N1x N    22.4000  -23.1000
            5   C5x C    21.1400  -23.8000
            6   C1a C    23.5900  -21.0000
            7   C5x C    24.7800  -23.1000
            8   C1y C    23.5900  -23.8000
            9   C1y C    27.2300  -23.1000
            10  N1y N    26.0400  -23.8000
            11  N1y N    29.6800  -23.1000
            12  C5x C    28.4200  -23.8000
            13  O7x O    32.0600  -21.7000
            14  C7x C    32.0600  -23.1000
            15  C1z C    30.8700  -23.8000
            16  N1x N    30.8700  -19.6000
            17  C5x C    32.0600  -18.9000
            18  C1y C    33.3200  -19.6000
            19  C1x C    33.3200  -21.0000
            20  C7x C    21.1400  -19.6000
            21  C1z C    22.4000  -18.9000
            22  N1y N    23.5900  -19.6000
            23  C5x C    24.7800  -18.9000
            24  C1y C    26.0400  -19.6000
            25  N1y N    27.2300  -18.9000
            26  C5x C    28.4200  -19.6000
            27  C1y C    29.6800  -18.9000
            28  N1b N    18.7600  -23.8000
            29  C5a C    17.5700  -23.1000
            30  C8y C    16.3800  -23.8000
            31  O5a O    17.5700  -21.7000
            32  C8y C    16.3800  -25.2000
            33  C8x C    15.1200  -25.9000
            34  C8y C    13.9300  -25.2000
            35  C8y C    13.9300  -23.8000
            36  N5x N    15.1200  -23.1000
            37  C8x C    12.7400  -25.9000
            38  C8x C    11.4800  -25.2000
            39  C8x C    11.4800  -23.8000
            40  C8x C    12.7400  -23.1000
            41  N1b N    34.5100  -18.9000
            42  C5a C    35.7000  -19.6000
            43  O5a O    35.7000  -21.0000
            44  C8y C    36.8900  -18.9000
            45  C8y C    36.8900  -17.5000
            46  C8x C    38.1500  -16.8000
            47  C8y C    39.3400  -17.5000
            48  C8y C    39.3400  -18.9000
            49  N5x N    38.1500  -19.6000
            50  C8x C    40.5300  -16.8000
            51  C8x C    41.7900  -17.5000
            52  C8x C    41.7900  -18.9000
            53  C8x C    40.5300  -19.6000
            54  O7x O    19.9500  -18.9000
            55  C1x C    21.7000  -17.7100
            56  C1y C    23.1000  -17.7100
            57  O5x O    24.7800  -17.5000
            58  C1a C    27.2300  -17.5000
            59  O5x O    28.4200  -21.0000
            60  C1a C    29.6800  -17.5000
            61  O5x O    32.0600  -17.5000
            62  O7x O    33.2500  -23.8000
            63  C1x C    31.5700  -24.9900
            64  C1y C    30.1700  -24.9900
            65  C1a C    29.6800  -21.7000
            66  O5x O    28.4200  -25.2000
            67  C1a C    26.0400  -25.2000
            68  O5x O    24.7800  -21.7000
            69  C1a C    23.5900  -25.2000
            70  O5x O    21.1400  -25.2000
            71  C1x C    25.3400  -20.7900
            72  S2x S    26.7400  -20.7900
            73  O1a O    17.5700  -25.9000
            74  O1a O    35.7000  -16.8000
            75  C1y C    27.4400  -22.0024
            76  S2a S    28.8400  -22.0024
            77  C1a C    29.2023  -20.6501
            78  C1a C    24.0899  -16.7201
            79  C1a C    29.1801  -25.9799
BOND        86
            1     1   2 1
            2     2   3 1
            3     4   5 1
            4     1   5 1
            5     7   8 1
            6     4   8 1
            7     9  10 1
            8     7  10 1
            9    11  12 1
            10    9  12 1
            11   13  14 1
            12   14  15 1
            13   11  15 1
            14   16  17 1
            15   17  18 1
            16   18  19 1
            17   13  19 1
            18    3  20 1
            19   20  21 1
            20   21  22 1
            21   22   6 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  16 1
            28    1  28 1
            29   28  29 1
            30   29  30 1
            31   29  31 2
            32   30  32 1
            33   32  33 2
            34   33  34 1
            35   34  35 2
            36   35  36 1
            37   30  36 2
            38   34  37 1
            39   37  38 2
            40   38  39 1
            41   39  40 2
            42   35  40 1
            43   18  41 1
            44   41  42 1
            45   42  43 2
            46   42  44 1
            47   44  45 1
            48   45  46 2
            49   46  47 1
            50   47  48 2
            51   48  49 1
            52   44  49 2
            53   47  50 1
            54   50  51 2
            55   51  52 1
            56   52  53 2
            57   48  53 1
            58   20  54 2
            59   21  55 1
            60   21  56 1
            61   55  56 1
            62   23  57 2
            63   25  58 1
            64   26  59 2
            65   27  60 1
            66   17  61 2
            67   14  62 2
            68   15  63 1
            69   15  64 1
            70   64  63 1
            71   11  65 1
            72   12  66 2
            73   10  67 1
            74    7  68 2
            75    8  69 1
            76    5  70 2
            77   24  71 1
            78   71  72 1
            79   32  73 1
            80   45  74 1
            81   72  75 1
            82   75   9 1
            83   75  76 1
            84   76  77 1
            85   56  78 1
            86   64  79 1


entry: C15765
name: --- - Coronafacic acid
formula: C12H16O3
kcf:
ATOM        15
            1   C1y C    20.9300  -20.5800
            2   C2x C    20.9300  -21.9800
            3   C2y C    22.1424  -22.6800
            4   C1y C    23.3549  -21.9800
            5   C1y C    23.3549  -20.5800
            6   C1x C    22.1424  -19.8800
            7   C1x C    24.6864  -22.4126
            8   C1x C    25.5093  -21.2800
            9   C5x C    24.6864  -20.1474
            10  O5x O    25.1175  -18.8206
            11  C6a C    22.1424  -24.0798
            12  O6a O    20.9132  -24.7897
            13  O6a O    23.3380  -24.7702
            14  C1b C    19.7176  -19.8800
            15  C1a C    18.5221  -20.5704
BOND        16
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 2
            12    3  11 1
            13   11  12 1
            14   11  13 2
            15    1  14 1 #Down
            16   14  15 1


entry: C15766
name: --- - Halstoctacosanolide A
formula: C48H76O12
kcf:
ATOM        60
            1   C2x C    35.9100  -20.9300
            2   C1x C    35.9100  -22.3300
            3   C2x C    33.4600  -20.9300
            4   C2y C    34.7200  -20.2300
            5   C1y C    31.0800  -20.9300
            6   C2y C    32.2700  -20.2300
            7   C2y C    28.6300  -22.3300
            8   C2x C    28.6300  -20.9300
            9   C5x C    29.8200  -20.2300
            10  C1z C    37.1000  -23.0300
            11  O2x O    37.1000  -24.4300
            12  C1y C    38.3600  -25.1300
            13  C1x C    38.3600  -26.5300
            14  C5x C    37.1000  -27.2300
            15  C1y C    35.9100  -26.5300
            16  C1y C    38.3600  -22.3300
            17  C1x C    39.5500  -23.0300
            18  C1x C    39.5500  -24.4300
            19  C1x C    34.7200  -27.2300
            20  C2x C    33.4600  -26.5300
            21  C2x C    32.2700  -27.2300
            22  C2x C    31.0800  -26.5300
            23  C2x C    29.8200  -27.2300
            24  C1y C    28.6300  -26.5300
            25  C1y C    27.4400  -27.2300
            26  C1x C    26.1800  -26.5300
            27  C1y C    26.1800  -25.1300
            28  O7x O    27.4400  -24.4300
            29  C7x C    27.4400  -23.0300
            30  C1c C    24.9900  -24.4300
            31  C1b C    23.7300  -25.1300
            32  C2c C    22.5400  -24.4300
            33  C2b C    21.3500  -25.1300
            34  C1c C    20.0900  -24.4300
            35  C1c C    18.9000  -25.1300
            36  C1b C    17.7100  -24.4300
            37  C1c C    16.4500  -25.1300
            38  C1c C    15.2600  -24.4300
            39  C1c C    14.0700  -25.1300
            40  C1b C    12.8100  -24.4300
            41  C1a C    24.9900  -23.0300
            42  C1a C    22.5400  -23.0300
            43  O1a O    20.0900  -23.0300
            44  O1a O    18.9000  -26.5300
            45  O1a O    16.4500  -26.5300
            46  C1a C    15.2600  -23.0300
            47  O1a O    14.0700  -26.5300
            48  C1a C    11.6200  -25.1300
            49  C1a C    29.8200  -23.0300
            50  O7x O    26.2500  -22.3300
            51  O5x O    29.8200  -18.8300
            52  O1a O    31.0800  -22.3300
            53  C1a C    32.2700  -18.8300
            54  C1a C    34.7200  -18.8300
            55  O1a O    35.9100  -23.7300
            56  C1a C    38.3600  -20.9300
            57  O5x O    37.1000  -28.6300
            58  C1a C    35.9100  -25.1300
            59  C1a C    28.6300  -25.1300
            60  O1a O    27.4400  -28.6300
BOND        61
            1     1   2 1
            2     3   4 1
            3     1   4 2
            4     5   6 1
            5     3   6 2
            6     7   8 2
            7     8   9 1
            8     5   9 1
            9     2  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   10  16 1
            16   16  17 1
            17   17  18 1
            18   18  12 1
            19   15  19 1
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30    7  29 1
            31   27  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   37  38 1
            40   38  39 1
            41   39  40 1
            42   30  41 1
            43   32  42 1
            44   34  43 1
            45   35  44 1
            46   37  45 1
            47   38  46 1
            48   39  47 1
            49   40  48 1
            50    7  49 1
            51   29  50 2
            52    9  51 2
            53    5  52 1
            54    6  53 1
            55    4  54 1
            56   10  55 1
            57   16  56 1
            58   14  57 2
            59   15  58 1
            60   24  59 1
            61   25  60 1


entry: C15767
name: --- - gamma-Glutamyl-gamma-aminobutyraye - 4-(Glutamylamino)butanoate - gamma-Glutamyl-GABA
formula: C9H16N2O5
kcf:
ATOM        16
            1   O6a O    19.0628  -26.0036
            2   C6a C    20.3647  -26.7046
            3   C1c C    21.5665  -26.0036
            4   O6a O    20.3647  -28.1067
            5   C1b C    22.7683  -26.7046
            6   N1a N    21.5665  -24.6015
            7   C1b C    23.9701  -26.0036
            8   C5a C    25.1719  -26.7046
            9   N1b N    26.3736  -26.0036
            10  O5a O    25.1719  -28.1067
            11  C1b C    27.5754  -26.7046
            12  C1b C    28.7772  -26.0036
            13  C1b C    29.9790  -26.7046
            14  C6a C    31.1808  -26.0036
            15  O6a O    32.3825  -26.7046
            16  O6a O    31.1808  -24.6015
BOND        15
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 1 #Up
            5     3   6 1
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2
            10    9  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 2
            15   14  16 1


entry: C15768
formula: C15H19NO10
name:
--- 
- (2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4- benzoxazin-3(4H)-one
- DIMBOA glucoside

kcf:
ATOM        26
            1   C8y C    21.7835  -21.2379
            2   C8y C    21.7894  -19.8446
            3   N1y N    22.9845  -21.9375
            4   C8x C    20.5827  -21.9316
            5   O2x O    22.9961  -19.1451
            6   C8x C    20.5827  -19.1393
            7   C5x C    24.1912  -21.2496
            8   O1b O    22.9669  -23.3248
            9   C8x C    19.3701  -21.2379
            10  C1y C    24.1969  -19.8505
            11  C8y C    19.3701  -19.8446
            12  O5x O    25.3862  -21.9375
            13  O2a O    25.4096  -19.1510
            14  O2a O    18.1576  -19.1393
            15  C1y C    26.6104  -18.4514
            16  C1a C    16.9393  -19.8272
            17  O2x O    27.8054  -19.1393
            18  C1y C    26.6104  -17.0640
            19  C1y C    29.0121  -18.4514
            20  C1y C    27.8111  -16.3702
            21  O1a O    25.4096  -16.3644
            22  C1y C    29.0121  -17.0697
            23  C1b C    30.2129  -19.1451
            24  O1a O    27.8111  -14.9829
            25  O1a O    30.2129  -16.3702
            26  O1a O    31.6062  -18.2824
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 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 2
            12   10  13 1 #Down
            13   11  14 1
            14   15  13 1 #Up
            15   14  16 1
            16   15  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   18  21 1 #Down
            21   19  22 1
            22   19  23 1 #Up
            23   20  24 1 #Up
            24   22  25 1 #Down
            25   23  26 1
            26    7  10 1
            27    9  11 1
            28   20  22 1


entry: C15769
name: --- - HBOA - 2-Hydroxy-1,4-benzoxazin-3-one
formula: C8H7NO3
kcf:
ATOM        12
            1   C8y C    20.5800  -25.6200
            2   C8y C    20.5800  -27.0200
            3   N1x N    21.7924  -27.7200
            4   C5x C    23.0049  -27.0200
            5   C1y C    23.0049  -25.6200
            6   O2x O    21.7924  -24.9200
            7   C8x C    19.3676  -24.9200
            8   C8x C    18.1551  -25.6200
            9   C8x C    18.1551  -27.0200
            10  C8x C    19.3676  -27.7200
            11  O5x O    24.2360  -27.7310
            12  O1a O    24.2360  -24.9090
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    4  11 2
            13    5  12 1


entry: C15770
name: --- - DIBOA - 2,4-Dihydroxy-1,4-benzoxazin-3-one - 2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
formula: C8H7NO4
kcf:
ATOM        13
            1   C8y C    23.6810  -18.4190
            2   C8y C    23.6810  -19.8157
            3   N1y N    24.8905  -20.5140
            4   C5x C    26.1001  -19.8157
            5   C1y C    26.1001  -18.4190
            6   O2x O    24.8905  -17.7207
            7   C8x C    22.4715  -17.7207
            8   C8x C    21.2619  -18.4190
            9   C8x C    21.2619  -19.8157
            10  C8x C    22.4715  -20.5140
            11  O5x O    27.3283  -20.5250
            12  O1a O    27.3283  -17.7097
            13  O1b O    24.8905  -21.9140
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    4  11 2
            13    5  12 1
            14    3  13 1


entry: C15771
name: --- - TRIBOA - 2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one
formula: C8H7NO5
kcf:
ATOM        14
            1   C8y C    23.6811  -17.7191
            2   C8y C    23.6811  -19.1158
            3   N1y N    24.8906  -19.8141
            4   C5x C    26.1002  -19.1158
            5   C1y C    26.1002  -17.7191
            6   O2x O    24.8906  -17.0208
            7   C8x C    22.4716  -17.0208
            8   C8y C    21.2620  -17.7191
            9   C8x C    21.2620  -19.1158
            10  C8x C    22.4716  -19.8141
            11  O5x O    27.3284  -19.8251
            12  O1a O    27.3284  -17.0098
            13  O1b O    24.8906  -21.2141
            14  O1a O    20.0593  -17.0245
BOND        15
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    4  11 2
            13    5  12 1
            14    3  13 1
            15    8  14 1


entry: C15772
name: --- - DIBOA-glucoside - 2,4-Dihydroxy-1,4-benzoxazin-3-one glucoside
formula: C14H17NO9
kcf:
ATOM        24
            1   C8y C    21.7835  -21.2379
            2   C8y C    21.7894  -19.8446
            3   N1y N    22.9845  -21.9375
            4   C8x C    20.5827  -21.9316
            5   O2x O    22.9961  -19.1451
            6   C8x C    20.5827  -19.1393
            7   C5x C    24.1912  -21.2496
            8   O1b O    22.9669  -23.3248
            9   C8x C    19.3701  -21.2379
            10  C1y C    24.1969  -19.8505
            11  C8x C    19.3701  -19.8446
            12  O5x O    25.3862  -21.9375
            13  O2a O    25.4096  -19.1510
            14  C1y C    26.6104  -18.4514
            15  O2x O    27.8054  -19.1393
            16  C1y C    26.6104  -17.0640
            17  C1y C    29.0121  -18.4514
            18  C1y C    27.8111  -16.3702
            19  O1a O    25.4096  -16.3644
            20  C1y C    29.0121  -17.0697
            21  C1b C    30.2129  -19.1451
            22  O1a O    27.8111  -14.9829
            23  O1a O    30.2129  -16.3702
            24  O1a O    31.6062  -18.2824
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 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 2
            12   10  13 1
            13   14  13 1 #Up
            14   14  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   17  21 1 #Up
            21   18  22 1 #Up
            22   20  23 1 #Down
            23   21  24 1
            24    7  10 1
            25    9  11 1
            26   18  20 1


entry: C15773
name: --- - Bleomycin
formula: C50H71N16O21S2R
comment:
Mixture of Bleomycin acid, Bleomycin A, and B Bleomycin acid (CAS 37364-66-2) (R = -OH) Bleomycin A [CPD:C15774] Bleomycin B [CPD:C15775]

kcf:
ATOM        90
            1   C1c C    34.9582  -21.1119
            2   C5a C    36.1468  -20.4127
            3   N1b N    37.3353  -21.1119
            4   C1c C    34.9582  -22.5102
            5   O1a O    33.7696  -23.2093
            6   C1a C    36.1468  -23.2093
            7   O5a O    36.1468  -19.0144
            8   C1b C    38.5239  -20.4127
            9   C1c C    26.7081  -23.7687
            10  C5a C    27.8967  -23.0695
            11  N1b N    29.0153  -23.7687
            12  O5a O    27.8967  -21.6712
            13  C1c C    30.2039  -23.0695
            14  C1c C    30.2039  -21.1119
            15  C1c C    31.3926  -20.4127
            16  O1a O    29.0153  -20.4127
            17  C5a C    32.5811  -21.1119
            18  N1b N    33.7696  -20.4127
            19  O5a O    32.5811  -22.5102
            20  C1a C    31.3926  -19.0144
            21  C1a C    31.3926  -23.7687
            22  N5x N    21.8839  -19.5738
            23  C8y C    21.8839  -20.9721
            24  C8y C    23.0725  -21.6712
            25  C8y C    24.3310  -20.9721
            26  N5x N    24.3310  -19.5738
            27  C8y C    23.0725  -18.8746
            28  C1c C    23.0725  -17.4763
            29  N1a N    20.6954  -21.6712
            30  C5a C    25.5195  -21.6712
            31  N1b N    24.2611  -16.7770
            32  C1b C    25.4496  -17.4763
            33  C1c C    26.6381  -16.7770
            34  C5a C    27.8268  -17.4763
            35  N1a N    26.6381  -15.3787
            36  N1a N    29.0153  -16.7770
            37  O5a O    27.8268  -18.8746
            38  O5a O    26.7081  -20.9721
            39  N1b N    25.5195  -23.0695
            40  C1a C    23.0725  -23.0695
            41  C1b C    21.8839  -16.7770
            42  C5a C    20.6954  -17.4763
            43  N1a N    19.5068  -16.7770
            44  O5a O    20.6954  -18.8746
            45  C1b C    39.7124  -21.1119
            46  C8y C    39.7124  -22.5102
            47  S2x S    38.5938  -23.3492
            48  C8x C    39.0133  -24.6775
            49  C8y C    40.4815  -24.6775
            50  N5x N    40.9011  -23.3492
            51  C1c C    26.7081  -25.1670
            52  O2a O    25.5195  -25.8662
            53  C1y C    24.2611  -25.2369
            54  O2x O    23.0725  -24.5377
            55  C1y C    21.8141  -25.2369
            56  C1y C    21.8141  -26.6352
            57  C1y C    23.0725  -27.3344
            58  C1y C    24.2611  -26.6352
            59  C1b C    20.6254  -24.5377
            60  O1a O    19.4369  -25.2369
            61  O1a O    20.6254  -27.3344
            62  O1a O    23.0725  -28.6628
            63  O2a O    25.4496  -27.3344
            64  C1y C    25.4496  -28.6628
            65  O2x O    24.2611  -29.3620
            66  C1y C    24.2611  -30.7604
            67  C1y C    25.4496  -31.4594
            68  C1y C    26.7081  -30.7604
            69  C1y C    26.7081  -29.3620
            70  C1b C    23.0725  -31.4594
            71  O1a O    25.4496  -32.8577
            72  O7a O    28.1064  -31.4594
            73  O1a O    27.8967  -28.6628
            74  C8y C    27.8967  -25.8662
            75  N5x N    27.8967  -27.2645
            76  C8x C    29.1552  -27.6840
            77  N4x N    29.9942  -26.5653
            78  C8x C    29.1552  -25.4467
            79  S2x S    40.3562  -27.0195
            80  C8y C    41.1807  -25.8885
            81  C8x C    41.1779  -28.1510
            82  C8y C    42.5080  -27.7191
            83  N5x N    42.5082  -26.3208
            84  C5a C    43.7187  -28.4186
            85  R   R    44.9298  -27.7196
            86  O5a O    43.7189  -29.8512
            87  C7a C    29.5328  -30.7702
            88  N1a N    30.7129  -31.4644
            89  O7a O    29.5446  -29.3626
            90  O1a O    21.8559  -30.7702
BOND        95
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1 #Up
            5     4   6 1
            6     2   7 2
            7     3   8 1
            8     9  10 1
            9    10  11 1
            10   10  12 2
            11   11  13 1
            12   13  14 1
            13   14  15 1
            14   14  16 1 #Up
            15   15  17 1
            16   17  18 1
            17   17  19 2
            18   15  20 1 #Down
            19   13  21 1 #Up
            20   22  23 2
            21   23  24 1
            22   24  25 2
            23   25  26 1
            24   26  27 2
            25   22  27 1
            26   27  28 1
            27   23  29 1
            28   25  30 1
            29   28  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   33  35 1 #Down
            34   34  36 1
            35   34  37 2
            36   30  38 2
            37   30  39 1
            38   24  40 1
            39   41  42 1
            40   28  41 1 #Down
            41   42  43 1
            42   42  44 2
            43    9  39 1 #Down
            44    1  18 1 #Down
            45    8  45 1
            46   45  46 1
            47   46  47 1
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   46  50 2
            52    9  51 1
            53   53  52 1 #Up
            54   53  54 1
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   57  58 1
            59   53  58 1
            60   55  59 1 #Down
            61   59  60 1
            62   56  61 1 #Down
            63   57  62 1 #Up
            64   58  63 1 #Up
            65   64  63 1 #Down
            66   64  65 1
            67   65  66 1
            68   66  67 1
            69   67  68 1
            70   68  69 1
            71   64  69 1
            72   66  70 1 #Up
            73   67  71 1 #Down
            74   68  72 1 #Up
            75   69  73 1 #Up
            76   51  74 1
            77   74  75 1
            78   75  76 2
            79   76  77 1
            80   77  78 1
            81   74  78 2
            82   52  51 1 #Down
            83   79  80 1
            84   49  80 1
            85   79  81 1
            86   81  82 2
            87   82  83 1
            88   80  83 2
            89   82  84 1
            90   84  85 1
            91   84  86 2
            92   72  87 1
            93   87  88 1
            94   87  89 2
            95   70  90 1


entry: C15774
name: --- - Bleomycin A
formula: C53H78N17O21S2R
comment:
Component of Bleomycin [CPD:C15773] Mixture of Bleomycin A1, A2, A5, and A6 Bleomycin A1 (CAS 58995-26-9) (R = -S(O)CH3) Bleomycin A2 (R = -S(CH3)2) [CPD:C06854] Bleomycin A5 (CAS 11116-32-8) (R = -NH(CH2)4NH2) Bleomycin A6 (CAS 37293-17-7) (R = -NH(CH2)4NH(CH2)3NH2)

kcf:
ATOM        94
            1   C1c C    34.9581  -21.1119
            2   C5a C    36.1467  -20.4127
            3   N1b N    37.3352  -21.1119
            4   C1c C    34.9581  -22.5102
            5   O1a O    33.7695  -23.2093
            6   C1a C    36.1467  -23.2093
            7   O5a O    36.1467  -19.0144
            8   C1b C    38.5238  -20.4127
            9   C1c C    26.7081  -23.7687
            10  C5a C    27.8966  -23.0695
            11  N1b N    29.0152  -23.7687
            12  O5a O    27.8966  -21.6712
            13  C1c C    30.2038  -23.0695
            14  C1c C    30.2038  -21.1119
            15  C1c C    31.3925  -20.4127
            16  O1a O    29.0152  -20.4127
            17  C5a C    32.5810  -21.1119
            18  N1b N    33.7695  -20.4127
            19  O5a O    32.5810  -22.5102
            20  C1a C    31.3925  -19.0144
            21  C1a C    31.3925  -23.7687
            22  N5x N    21.8839  -19.5738
            23  C8y C    21.8839  -20.9721
            24  C8y C    23.0725  -21.6712
            25  C8y C    24.3310  -20.9721
            26  N5x N    24.3310  -19.5738
            27  C8y C    23.0725  -18.8746
            28  C1c C    23.0725  -17.4763
            29  N1a N    20.6954  -21.6712
            30  C5a C    25.5195  -21.6712
            31  N1b N    24.2611  -16.7770
            32  C1b C    25.4496  -17.4763
            33  C1c C    26.6381  -16.7770
            34  C5a C    27.8267  -17.4763
            35  N1a N    26.6381  -15.3787
            36  N1a N    29.0152  -16.7770
            37  O5a O    27.8267  -18.8746
            38  O5a O    26.7081  -20.9721
            39  N1b N    25.5195  -23.0695
            40  C1a C    23.0725  -23.0695
            41  C1b C    21.8839  -16.7770
            42  C5a C    20.6954  -17.4763
            43  N1a N    19.5068  -16.7770
            44  O5a O    20.6954  -18.8746
            45  C1b C    39.7123  -21.1119
            46  C8y C    39.7123  -22.5102
            47  S2x S    38.5937  -23.3492
            48  C8x C    39.0132  -24.6775
            49  C8y C    40.4814  -24.6775
            50  N5x N    40.9010  -23.3492
            51  C1c C    26.7081  -25.1670
            52  O2a O    25.5195  -25.8662
            53  C1y C    24.2611  -25.2369
            54  O2x O    23.0725  -24.5377
            55  C1y C    21.8141  -25.2369
            56  C1y C    21.8141  -26.6352
            57  C1y C    23.0725  -27.3343
            58  C1y C    24.2611  -26.6352
            59  C1b C    20.6254  -24.5377
            60  O1a O    19.4369  -25.2369
            61  O1a O    20.6254  -27.3343
            62  O1a O    23.0725  -28.6627
            63  O2a O    25.4496  -27.3343
            64  C1y C    25.4496  -28.6627
            65  O2x O    24.2611  -29.3619
            66  C1y C    24.2611  -30.7603
            67  C1y C    25.4496  -31.4593
            68  C1y C    26.7081  -30.7603
            69  C1y C    26.7081  -29.3619
            70  C1b C    23.0725  -31.4593
            71  O1a O    25.4496  -32.8576
            72  O7a O    28.1063  -31.4593
            73  O1a O    27.8966  -28.6627
            74  C8y C    27.8966  -25.8662
            75  N5x N    27.8966  -27.2644
            76  C8x C    29.1551  -27.6839
            77  N4x N    29.9941  -26.5653
            78  C8x C    29.1551  -25.4467
            79  S2x S    40.3561  -27.0195
            80  C8y C    41.1806  -25.8885
            81  C8x C    41.1778  -28.1509
            82  C8y C    42.5079  -27.7190
            83  N5x N    42.5081  -26.3208
            84  C5a C    43.7186  -28.4185
            85  N1b N    44.9297  -27.7195
            86  O5a O    43.7188  -29.8511
            87  C7a C    29.5327  -30.7701
            88  N1a N    30.7128  -31.4643
            89  O7a O    29.5445  -29.3625
            90  O1a O    21.8559  -30.7701
            91  C1b C    46.1499  -28.4243
            92  C1b C    47.3493  -27.7320
            93  C1b C    48.5345  -28.4164
            94  R   R    49.7270  -27.7280
BOND        99
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1 #Up
            5     4   6 1
            6     2   7 2
            7     3   8 1
            8     9  10 1
            9    10  11 1
            10   10  12 2
            11   11  13 1
            12   13  14 1
            13   14  15 1
            14   14  16 1 #Up
            15   15  17 1
            16   17  18 1
            17   17  19 2
            18   15  20 1 #Down
            19   13  21 1 #Up
            20   22  23 2
            21   23  24 1
            22   24  25 2
            23   25  26 1
            24   26  27 2
            25   22  27 1
            26   27  28 1
            27   23  29 1
            28   25  30 1
            29   28  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   33  35 1 #Down
            34   34  36 1
            35   34  37 2
            36   30  38 2
            37   30  39 1
            38   24  40 1
            39   41  42 1
            40   28  41 1 #Down
            41   42  43 1
            42   42  44 2
            43    9  39 1 #Down
            44    1  18 1 #Down
            45    8  45 1
            46   45  46 1
            47   46  47 1
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   46  50 2
            52    9  51 1
            53   53  52 1 #Up
            54   53  54 1
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   57  58 1
            59   53  58 1
            60   55  59 1 #Down
            61   59  60 1
            62   56  61 1 #Down
            63   57  62 1 #Up
            64   58  63 1 #Up
            65   64  63 1 #Down
            66   64  65 1
            67   65  66 1
            68   66  67 1
            69   67  68 1
            70   68  69 1
            71   64  69 1
            72   66  70 1 #Up
            73   67  71 1 #Down
            74   68  72 1 #Up
            75   69  73 1 #Up
            76   51  74 1
            77   74  75 1
            78   75  76 2
            79   76  77 1
            80   77  78 1
            81   74  78 2
            82   52  51 1 #Down
            83   79  80 1
            84   49  80 1
            85   79  81 1
            86   81  82 2
            87   82  83 1
            88   80  83 2
            89   82  84 1
            90   84  85 1
            91   84  86 2
            92   72  87 1
            93   87  88 1
            94   87  89 2
            95   70  90 1
            96   85  91 1
            97   91  92 1
            98   92  93 1
            99   93  94 1


entry: C15775
name: --- - Bleomycin B
formula: C50H72N17O21S2R
comment:
Component of Bleomycin [CPD:C15773] Mixture of Bleomycin B1', B2, B4, and B6 Bleomycin B1' (Bleomycinamide) (CAS 41138-54-9) (R = - H) Bleomycin B2 (R = -(CH2)4NHC(NH)NH2) [CPD:C01895] Bleomycin B4 (CAS 9060-11-1) (R = -(CH2)4N(C(NH)NH2)(CH2)4NHC(NH)NH2) Bleomycin B6 (CAS 73666-80-5) (R = -(CH2)4NHC(NH)NH(CH2)4NHC(NH)NH(CH2)4NHC(NH)NH2)

kcf:
ATOM        91
            1   C1c C    32.5935  -21.0512
            2   C5a C    33.7827  -20.3517
            3   N1b N    34.9717  -21.0512
            4   C1c C    32.5935  -22.4501
            5   O1a O    31.4044  -23.1496
            6   C1a C    33.7827  -23.1496
            7   O5a O    33.7827  -18.9528
            8   C1b C    36.1608  -20.3517
            9   C1c C    24.3399  -23.7092
            10  C5a C    25.5289  -23.0097
            11  N1b N    26.6480  -23.7092
            12  O5a O    25.5289  -21.6108
            13  C1c C    27.8371  -23.0097
            14  C1c C    27.8371  -21.0512
            15  C1c C    29.0264  -20.3517
            16  O1a O    26.6480  -20.3517
            17  C5a C    30.2154  -21.0512
            18  N1b N    31.4044  -20.3517
            19  O5a O    30.2154  -22.4501
            20  C1a C    29.0264  -18.9528
            21  C1a C    29.0264  -23.7092
            22  N5x N    19.5136  -19.5124
            23  C8y C    19.5136  -20.9114
            24  C8y C    20.7027  -21.6108
            25  C8y C    21.9618  -20.9114
            26  N5x N    21.9618  -19.5124
            27  C8y C    20.7027  -18.8129
            28  C1c C    20.7027  -17.4140
            29  N1a N    18.3245  -21.6108
            30  C5a C    23.1508  -21.6108
            31  N1b N    21.8918  -16.7144
            32  C1b C    23.0808  -17.4140
            33  C1c C    24.2699  -16.7144
            34  C5a C    25.4590  -17.4140
            35  N1a N    24.2699  -15.3155
            36  N1a N    26.6480  -16.7144
            37  O5a O    25.4590  -18.8129
            38  O5a O    24.3399  -20.9114
            39  N1b N    23.1508  -23.0097
            40  C1a C    20.7027  -23.0097
            41  C1b C    19.5136  -16.7144
            42  C5a C    18.3245  -17.4140
            43  N1a N    17.1354  -16.7144
            44  O5a O    18.3245  -18.8129
            45  C1b C    37.3498  -21.0512
            46  C8y C    37.3498  -22.4501
            47  S2x S    36.2308  -23.2895
            48  C8x C    36.6504  -24.6184
            49  C8y C    38.1193  -24.6184
            50  N5x N    38.5391  -23.2895
            51  C1c C    24.3399  -25.1081
            52  O2a O    23.1508  -25.8076
            53  C1y C    21.8918  -25.1781
            54  O2x O    20.7027  -24.4785
            55  C1y C    19.4437  -25.1781
            56  C1y C    19.4437  -26.5770
            57  C1y C    20.7027  -27.2764
            58  C1y C    21.8918  -26.5770
            59  C1b C    18.2545  -24.4785
            60  O1a O    17.0655  -25.1781
            61  O1a O    18.2545  -27.2764
            62  O1a O    20.7027  -28.6054
            63  O2a O    23.0808  -27.2764
            64  C1y C    23.0808  -28.6054
            65  O2x O    21.8918  -29.3049
            66  C1y C    21.8918  -30.7039
            67  C1y C    23.0808  -31.4032
            68  C1y C    24.3399  -30.7039
            69  C1y C    24.3399  -29.3049
            70  C1b C    20.7027  -31.4032
            71  O1a O    23.0808  -32.8021
            72  O7a O    25.7387  -31.4032
            73  O1a O    25.5289  -28.6054
            74  C8y C    25.5289  -25.8076
            75  N5x N    25.5289  -27.2064
            76  C8x C    26.7880  -27.6261
            77  N4x N    27.6274  -26.5070
            78  C8x C    26.7880  -25.3879
            79  S2x S    37.9939  -26.9614
            80  C8y C    38.8188  -25.8299
            81  C8x C    38.8160  -28.0933
            82  C8y C    40.1467  -27.6612
            83  N5x N    40.1469  -26.2624
            84  C5a C    41.3579  -28.3611
            85  N1b N    42.5696  -27.6617
            86  O5a O    41.3581  -29.7943
            87  C7a C    27.1657  -30.7137
            88  N1a N    28.3464  -31.4082
            89  O7a O    27.1776  -29.3055
            90  O1a O    19.4856  -30.7137
            91  R   R    43.7903  -28.3669
BOND        96
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1 #Up
            5     4   6 1
            6     2   7 2
            7     3   8 1
            8     9  10 1
            9    10  11 1
            10   10  12 2
            11   11  13 1
            12   13  14 1
            13   14  15 1
            14   14  16 1 #Up
            15   15  17 1
            16   17  18 1
            17   17  19 2
            18   15  20 1 #Down
            19   13  21 1 #Up
            20   22  23 2
            21   23  24 1
            22   24  25 2
            23   25  26 1
            24   26  27 2
            25   22  27 1
            26   27  28 1
            27   23  29 1
            28   25  30 1
            29   28  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   33  35 1 #Down
            34   34  36 1
            35   34  37 2
            36   30  38 2
            37   30  39 1
            38   24  40 1
            39   41  42 1
            40   28  41 1 #Down
            41   42  43 1
            42   42  44 2
            43    9  39 1 #Down
            44    1  18 1 #Down
            45    8  45 1
            46   45  46 1
            47   46  47 1
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   46  50 2
            52    9  51 1
            53   53  52 1 #Up
            54   53  54 1
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   57  58 1
            59   53  58 1
            60   55  59 1 #Down
            61   59  60 1
            62   56  61 1 #Down
            63   57  62 1 #Up
            64   58  63 1 #Up
            65   64  63 1 #Down
            66   64  65 1
            67   65  66 1
            68   66  67 1
            69   67  68 1
            70   68  69 1
            71   64  69 1
            72   66  70 1 #Up
            73   67  71 1 #Down
            74   68  72 1 #Up
            75   69  73 1 #Up
            76   51  74 1
            77   74  75 1
            78   75  76 2
            79   76  77 1
            80   77  78 1
            81   74  78 2
            82   52  51 1 #Down
            83   79  80 1
            84   49  80 1
            85   79  81 1
            86   81  82 2
            87   82  83 1
            88   80  83 2
            89   82  84 1
            90   84  85 1
            91   84  86 2
            92   72  87 1
            93   87  88 1
            94   87  89 2
            95   70  90 1
            96   85  91 1


entry: C15776
name: --- - 4alpha-Methylfecosterol
formula: C29H48O
kcf:
ATOM        30
            1   C1y C    22.0894  -17.3158
            2   C2y C    20.8902  -18.0117
            3   C1z C    22.0958  -15.9300
            4   C1x C    24.4944  -17.2909
            5   C2y C    19.6971  -17.3283
            6   C1x C    20.9422  -19.5032
            7   C1y C    23.2951  -15.2340
            8   C1x C    20.8840  -15.2465
            9   C1a C    21.8403  -14.5068
            10  C1x C    24.4944  -15.9363
            11  C1z C    18.5164  -18.0242
            12  C1x C    19.6848  -15.9425
            13  C1x C    19.7095  -20.0749
            14  C1c C    23.3013  -13.8855
            15  C1y C    18.5164  -19.3850
            16  C1x C    17.3295  -17.3468
            17  C1a C    18.2531  -16.6401
            18  C1b C    24.4759  -13.2144
            19  C1a C    22.1331  -13.2082
            20  C1y C    17.3295  -20.0812
            21  C1x C    16.1612  -18.0242
            22  C1b C    25.6441  -13.8918
            23  C1y C    16.1612  -19.3850
            24  O1a O    14.9868  -20.0564
            25  C2c C    26.8628  -13.2027
            26  C1c C    28.0859  -13.9089
            27  C1a C    29.3090  -13.2027
            28  C1a C    28.0859  -15.3210
            29  C2a C    26.8691  -11.7907
            30  C1a C    17.3245  -21.4895
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   23  24 1 #Up
            24    7  10 1
            25    8  12 1
            26   13  15 1
            27   21  23 1
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 1
            32   25  29 2
            33   20  30 1 #Down


entry: C15777
name: --- - Episterol
formula: C28H46O
kcf:
ATOM        29
            1   C1y C    22.0894  -17.3158
            2   C2y C    20.8902  -18.0117
            3   C1z C    22.0958  -15.9300
            4   C1x C    24.4944  -17.2909
            5   C1y C    19.6971  -17.3283
            6   C2x C    20.8722  -19.5032
            7   C1y C    23.2951  -15.2340
            8   C1x C    20.8840  -15.2465
            9   C1a C    21.8403  -14.5068
            10  C1x C    24.4944  -15.9363
            11  C1z C    18.5164  -18.0242
            12  C1x C    19.6848  -15.9425
            13  C1x C    19.7095  -20.0749
            14  C1c C    23.3013  -13.8855
            15  C1y C    18.5164  -19.3850
            16  C1x C    17.3295  -17.3468
            17  C1a C    18.2531  -16.6401
            18  C1b C    24.4759  -13.2144
            19  C1a C    22.1331  -13.2082
            20  C1x C    17.3295  -20.0812
            21  C1x C    16.1612  -18.0242
            22  C1b C    25.6441  -13.8918
            23  C1y C    16.1612  -19.3850
            24  O1a O    14.9868  -20.0564
            25  C2c C    26.8628  -13.2027
            26  C1c C    28.0859  -13.9089
            27  C1a C    29.3090  -13.2027
            28  C1a C    28.0859  -15.3210
            29  C2a C    26.8691  -11.7907
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   23  24 1 #Up
            24    7  10 1
            25    8  12 1
            26   13  15 1
            27   21  23 1
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 1
            32   25  29 2


entry: C15778
name: --- - 5,7,24(28)-Ergostatrienol
formula: C28H45O
kcf:
ATOM        29
            1   C1y C    22.1175  -17.2678
            2   C2y C    20.9168  -17.9646
            3   C1z C    22.1239  -15.8803
            4   C1x C    24.5256  -17.2429
            5   C1y C    19.7222  -17.2803
            6   C2x C    20.8988  -19.4580
            7   C1y C    23.3247  -15.1834
            8   C1x C    20.9106  -15.1959
            9   C1a C    21.8681  -14.4553
            10  C1x C    24.5256  -15.8866
            11  C1z C    18.5400  -17.9771
            12  C1x C    19.7098  -15.8928
            13  C2x C    19.7346  -20.0304
            14  C1c C    23.3309  -13.8332
            15  C2y C    18.5400  -19.3397
            16  C1x C    17.3515  -17.2989
            17  C1a C    18.2763  -16.5913
            18  C1b C    24.5070  -13.1612
            19  C1a C    22.1613  -13.1550
            20  C1x C    17.3515  -20.0367
            21  C1x C    16.1818  -17.9771
            22  C1b C    25.6767  -13.8395
            23  C1y C    16.1818  -19.3397
            24  O1a O    15.0059  -20.0119
            25  C2c C    26.8970  -13.1495
            26  C1c C    28.1216  -13.8566
            27  C1a C    29.3463  -13.1495
            28  C1a C    28.1216  -15.2705
            29  C2a C    26.9033  -11.7357
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   23  24 1 #Up
            24    7  10 1
            25    8  12 1
            26   13  15 2
            27   21  23 1
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 1
            32   25  29 2


entry: C15780
name: --- - 5-Dehydroepisterol
formula: C28H44O
kcf:
ATOM        29
            1   C1y C    22.1175  -17.2678
            2   C2y C    20.9168  -17.9646
            3   C1z C    22.1239  -15.8803
            4   C1x C    24.5256  -17.2429
            5   C1y C    19.7222  -17.2803
            6   C2x C    20.8988  -19.4580
            7   C1y C    23.3247  -15.1834
            8   C1x C    20.9106  -15.1959
            9   C1a C    21.8681  -14.4553
            10  C1x C    24.5256  -15.8866
            11  C1z C    18.5400  -17.9771
            12  C1x C    19.7098  -15.8928
            13  C2x C    19.7346  -20.0304
            14  C1c C    23.3309  -13.8332
            15  C2y C    18.5400  -19.3397
            16  C1x C    17.3515  -17.2989
            17  C1a C    18.2763  -16.5913
            18  C1b C    24.5070  -13.1612
            19  C1a C    22.1613  -13.1550
            20  C1x C    17.3515  -20.0367
            21  C1x C    16.1818  -17.9771
            22  C1b C    25.6767  -13.8395
            23  C1y C    16.1818  -19.3397
            24  O1a O    15.0059  -20.0119
            25  C2c C    26.8970  -13.1495
            26  C1c C    28.1216  -13.8566
            27  C1a C    29.3463  -13.1495
            28  C1a C    28.1216  -15.2705
            29  C2a C    26.9033  -11.7357
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   23  24 1 #Up
            24    7  10 1
            25    8  12 1
            26   13  15 2
            27   21  23 1
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 1
            32   25  29 2


entry: C15781
name: --- - 24-Methylenecholesterol
formula: C28H46O
kcf:
ATOM        29
            1   C1y C    22.0961  -17.5771
            2   C1y C    20.9079  -18.2666
            3   C1z C    22.1024  -16.2041
            4   C1x C    24.4790  -17.5525
            5   C1y C    19.7258  -17.5895
            6   C1x C    20.9601  -19.7444
            7   C1y C    23.2906  -15.5145
            8   C1x C    20.9018  -15.5269
            9   C1a C    21.8493  -14.7940
            10  C1x C    24.4790  -16.2104
            11  C1z C    18.5560  -18.2790
            12  C1x C    19.7136  -16.2165
            13  C2x C    19.7381  -20.3108
            14  C1c C    23.2968  -14.1785
            15  C2y C    18.5560  -19.6273
            16  C1x C    17.3799  -17.6079
            17  C1a C    18.2951  -16.9077
            18  C1b C    24.4606  -13.5135
            19  C1a C    22.1394  -13.5074
            20  C1x C    17.3799  -20.3170
            21  C1x C    16.2225  -18.2790
            22  C1b C    25.6180  -14.1847
            23  C1y C    16.2225  -19.6273
            24  O1a O    15.0589  -20.2925
            25  C2c C    26.8256  -13.5019
            26  C1c C    28.0374  -14.2016
            27  C1a C    29.2492  -13.5019
            28  C1a C    28.0374  -15.6007
            29  C2a C    26.8318  -12.1029
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   23  24 1 #Up
            24    7  10 1
            25    8  12 1
            26   13  15 2
            27   21  23 1
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 1
            32   25  29 2


entry: C15782
name: --- - delta7-Avenasterol
formula: C29H48O
kcf:
ATOM        30
            1   C1x C    16.1642  -17.9153
            2   C1y C    16.1642  -19.2881
            3   C1x C    17.3602  -19.9710
            4   C1x C    17.3602  -17.2255
            5   C1z C    18.5420  -17.9153
            6   C1y C    18.5359  -19.2881
            7   C1x C    19.7189  -19.9760
            8   C2x C    20.9150  -19.2984
            9   C1y C    19.7309  -17.2307
            10  C2y C    20.9151  -17.9287
            11  C1x C    20.9379  -15.1904
            12  C1x C    19.7423  -15.8615
            13  C1z C    22.1150  -15.8813
            14  C1y C    22.0983  -17.2461
            15  C1x C    24.4636  -17.2753
            16  C1x C    24.4804  -15.9104
            17  C1y C    23.3097  -15.2170
            18  C1c C    23.3264  -13.8442
            19  C1b C    24.5062  -13.1495
            20  C1b C    25.6960  -13.8324
            21  C2c C    26.8787  -13.1424
            22  C1c C    28.0613  -13.8253
            23  C1a C    29.2509  -13.1355
            24  C1a C    28.0644  -15.1981
            25  C2b C    26.8756  -11.7697
            26  C1a C    28.0600  -11.0771
            27  O1a O    14.9785  -19.9716
            28  C1a C    18.5295  -16.5426
            29  C1a C    22.1057  -14.5082
            30  C1a C    22.1269  -13.1495
BOND        33
            1     6   7 1
            2     7   8 1
            3    13  14 1
            4    15  16 1
            5    16  17 1
            6    17  13 1
            7    14  15 1
            8     8  10 2
            9    17  18 1
            10    9   5 1
            11   18  19 1
            12    5   4 1
            13   19  20 1
            14    4   1 1
            15   20  21 1
            16   21  22 1
            17    1   2 1
            18   22  23 1
            19    9  10 1
            20   22  24 1
            21   10  14 1
            22   21  25 2
            23   13  11 1
            24   25  26 1
            25   11  12 1
            26   12   9 1
            27    2  27 1 #Up
            28    2   3 1
            29    5  28 1 #Up
            30    3   6 1
            31   13  29 1 #Up
            32    5   6 1
            33   18  30 1 #Down


entry: C15783
name: --- - 5-Dehydroavenasterol
formula: C29H46O
kcf:
ATOM        30
            1   C1x C    16.1547  -18.6048
            2   C1y C    16.1547  -19.9768
            3   C1x C    17.3500  -20.6593
            4   C1x C    17.3500  -17.9154
            5   C1z C    18.5311  -18.6048
            6   C2y C    18.5250  -19.9768
            7   C2x C    19.7073  -20.6643
            8   C2x C    20.9027  -19.9871
            9   C1y C    19.7193  -17.9206
            10  C2y C    20.9028  -18.6182
            11  C1x C    20.9256  -15.8815
            12  C1x C    19.7307  -16.5522
            13  C1z C    22.1020  -16.5720
            14  C1y C    22.0853  -17.9360
            15  C1x C    24.4492  -17.9651
            16  C1x C    24.4660  -16.6010
            17  C1y C    23.2960  -15.9081
            18  C1c C    23.3127  -14.5361
            19  C1b C    24.4918  -13.8418
            20  C1b C    25.6809  -14.5243
            21  C2c C    26.8629  -13.8347
            22  C1c C    28.0448  -14.5172
            23  C1a C    29.2337  -13.8278
            24  C1a C    28.0479  -15.8892
            25  C2b C    26.8598  -12.4628
            26  C1a C    28.0435  -11.7706
            27  O1a O    14.9697  -20.6599
            28  C1a C    18.5186  -17.2329
            29  C1a C    22.0927  -15.1997
            30  C1a C    22.1139  -13.8418
BOND        33
            1     6   7 2
            2     7   8 1
            3    13  14 1
            4    15  16 1
            5    16  17 1
            6    17  13 1
            7    14  15 1
            8     8  10 2
            9    17  18 1
            10    9   5 1
            11   18  19 1
            12    5   4 1
            13   19  20 1
            14    4   1 1
            15   20  21 1
            16   21  22 1
            17    1   2 1
            18   22  23 1
            19    9  10 1
            20   22  24 1
            21   10  14 1
            22   21  25 2
            23   13  11 1
            24   25  26 1
            25   11  12 1
            26   12   9 1
            27    2  27 1 #Up
            28    2   3 1
            29    5  28 1 #Up
            30    3   6 1
            31   13  29 1 #Up
            32    5   6 1
            33   18  30 1 #Down


entry: C15784
name: --- - Campest-4-en-3beta-ol - (24R)-Ergost-4-en-3beta-ol
formula: C28H48O
kcf:
ATOM        29
            1   C1x C    25.9130  -23.5250
            2   C1y C    25.9130  -24.8987
            3   C2x C    27.1027  -25.5855
            4   C2y C    28.2924  -24.8987
            5   C1z C    28.2924  -23.5250
            6   C1x C    27.1027  -22.8381
            7   C1x C    29.4820  -25.5855
            8   C1x C    30.6715  -24.8987
            9   C1y C    30.6715  -23.5250
            10  C1y C    29.4820  -22.8381
            11  C1y C    31.8613  -22.8381
            12  C1z C    31.8613  -21.4644
            13  C1x C    30.6715  -20.7775
            14  C1x C    29.4820  -21.4644
            15  C1x C    34.2407  -22.8381
            16  C1x C    34.2407  -21.4644
            17  C1y C    33.0509  -20.7775
            18  C1c C    33.0509  -19.4039
            19  C1b C    34.2446  -18.7148
            20  C1b C    35.4195  -19.3933
            21  C1c C    36.5835  -18.7212
            22  C1c C    37.7529  -19.3967
            23  C1a C    37.7529  -20.7772
            24  O1a O    24.7234  -25.5855
            25  C1a C    28.2924  -22.1512
            26  C1a C    31.8613  -20.0911
            27  C1a C    31.8613  -18.7170
            28  C1a C    38.9426  -18.7098
            29  C1a C    36.5835  -17.3212
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    2  24 1 #Up
            28    5  25 1 #Up
            29   12  26 1 #Up
            30   18  27 1 #Down
            31   22  28 1
            32   21  29 1 #Up


entry: C15785
name: --- - Campest-4-en-3-one - (24R)-Ergost-4-en-3-one
formula: C28H46O
kcf:
ATOM        29
            1   C1x C    25.9280  -23.6110
            2   C5x C    25.9280  -24.9819
            3   C2x C    27.1152  -25.6673
            4   C2y C    28.3024  -24.9819
            5   C1z C    28.3024  -23.6110
            6   C1x C    27.1152  -22.9255
            7   C1x C    29.4895  -25.6673
            8   C1x C    30.6766  -24.9819
            9   C1y C    30.6766  -23.6110
            10  C1y C    29.4895  -22.9255
            11  C1y C    31.8639  -22.9255
            12  C1z C    31.8639  -21.5547
            13  C1x C    30.6766  -20.8693
            14  C1x C    29.4895  -21.5547
            15  C1x C    34.2383  -22.9255
            16  C1x C    34.2383  -21.5547
            17  C1y C    33.0510  -20.8693
            18  C1c C    33.0510  -19.4985
            19  C1b C    34.2422  -18.8109
            20  C1b C    35.4147  -19.4880
            21  C1c C    36.5762  -18.8173
            22  C1c C    37.7432  -19.4914
            23  C1a C    37.7432  -20.8690
            24  C1a C    28.3024  -22.2401
            25  C1a C    31.8639  -20.1843
            26  C1a C    31.8639  -18.8131
            27  C1a C    38.9304  -18.8059
            28  O5x O    24.6992  -25.6912
            29  C1a C    36.5762  -17.4189
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31    2  28 2
            32   21  29 1 #Up


entry: C15786
name: --- - 5alpha-Campestan-3-one - (24R)-5alpha-Ergostan-3-one
formula: C28H48O
kcf:
ATOM        29
            1   C1x C    25.8877  -23.2181
            2   C5x C    25.8877  -24.5905
            3   C1x C    27.0763  -25.2767
            4   C1y C    28.2649  -24.5905
            5   C1z C    28.2649  -23.2181
            6   C1x C    27.0763  -22.5318
            7   C1x C    29.4534  -25.2767
            8   C1x C    30.6418  -24.5905
            9   C1y C    30.6418  -23.2181
            10  C1y C    29.4534  -22.5318
            11  C1y C    31.8305  -22.5318
            12  C1z C    31.8305  -21.1594
            13  C1x C    30.6418  -20.4732
            14  C1x C    29.4534  -21.1594
            15  C1x C    34.2077  -22.5318
            16  C1x C    34.2077  -21.1594
            17  C1y C    33.0190  -20.4732
            18  C1c C    33.0190  -19.1008
            19  C1b C    34.2116  -18.4125
            20  C1b C    35.3854  -19.0903
            21  C1c C    36.5483  -18.4189
            22  C1c C    37.7166  -19.0937
            23  C1a C    37.7166  -20.4729
            24  C1a C    28.2649  -21.8456
            25  C1a C    31.8305  -19.7874
            26  C1a C    31.8305  -18.4147
            27  C1a C    38.9051  -18.4075
            28  O5x O    24.6575  -25.3007
            29  C1a C    36.5483  -17.0189
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31    2  28 2
            32   21  29 1 #Up


entry: C15787
name: --- - Campestanol - 5alpha-Campestanol
formula: C28H50O
kcf:
ATOM        29
            1   C1x C    25.9085  -23.1702
            2   C1y C    25.9085  -24.5436
            3   C1x C    27.0982  -25.2303
            4   C1y C    28.2877  -24.5436
            5   C1z C    28.2877  -23.1702
            6   C1x C    27.0982  -22.4833
            7   C1x C    29.4771  -25.2303
            8   C1x C    30.6664  -24.5436
            9   C1y C    30.6664  -23.1702
            10  C1y C    29.4771  -22.4833
            11  C1y C    31.8560  -22.4833
            12  C1z C    31.8560  -21.1098
            13  C1x C    30.6664  -20.4230
            14  C1x C    29.4771  -21.1098
            15  C1x C    34.2351  -22.4833
            16  C1x C    34.2351  -21.1098
            17  C1y C    33.0454  -20.4230
            18  C1c C    33.0454  -19.0496
            19  C1b C    34.2390  -18.3608
            20  C1b C    35.4137  -19.0391
            21  C1c C    36.5775  -18.3672
            22  C1c C    37.7467  -19.0425
            23  C1a C    37.7467  -20.4227
            24  C1a C    28.2877  -21.7965
            25  C1a C    31.8560  -19.7367
            26  C1a C    31.8560  -18.3630
            27  C1a C    38.9361  -18.3557
            28  O1a O    24.7132  -25.2336
            29  C1a C    36.5775  -16.9672
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31    2  28 1 #Up
            32   21  29 1 #Up


entry: C15788
name: --- - 6alpha-Hydroxycampestanol
formula: C28H50O2
kcf:
ATOM        30
            1   C1x C    25.8975  -22.9529
            2   C1y C    25.8975  -24.3258
            3   C1x C    27.0868  -25.0121
            4   C1y C    28.2757  -24.3258
            5   C1z C    28.2757  -22.9529
            6   C1x C    27.0868  -22.2663
            7   C1y C    29.4646  -25.0121
            8   C1x C    30.6534  -24.3258
            9   C1y C    30.6534  -22.9529
            10  C1y C    29.4646  -22.2663
            11  C1y C    31.8425  -22.2663
            12  C1z C    31.8425  -20.8935
            13  C1x C    30.6534  -20.2070
            14  C1x C    29.4646  -20.8935
            15  C1x C    34.2205  -22.2663
            16  C1x C    34.2205  -20.8935
            17  C1y C    33.0314  -20.2070
            18  C1c C    33.0314  -18.8341
            19  C1b C    34.2244  -18.1457
            20  C1b C    35.3986  -18.8236
            21  C1c C    36.5618  -18.1521
            22  C1c C    37.7306  -18.8270
            23  C1a C    37.7306  -20.2067
            24  C1a C    28.2757  -21.5798
            25  C1a C    31.8425  -19.5209
            26  C1a C    31.8425  -18.1479
            27  C1a C    38.9195  -18.1406
            28  O1a O    24.7028  -25.0154
            29  O1a O    29.4645  -26.3815
            30  C1a C    36.5618  -16.7535
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31    2  28 1 #Up
            32    7  29 1 #Down
            33   21  30 1 #Up


entry: C15789
name: --- - 6-Oxocampestanol
formula: C28H48O2
kcf:
ATOM        30
            1   C1x C    25.8972  -22.8086
            2   C1y C    25.8972  -24.1815
            3   C1x C    27.0865  -24.8678
            4   C1y C    28.2755  -24.1815
            5   C1z C    28.2755  -22.8086
            6   C1x C    27.0865  -22.1220
            7   C5x C    29.4644  -24.8678
            8   C1x C    30.6532  -24.1815
            9   C1y C    30.6532  -22.8086
            10  C1y C    29.4644  -22.1220
            11  C1y C    31.8423  -22.1220
            12  C1z C    31.8423  -20.7491
            13  C1x C    30.6532  -20.0625
            14  C1x C    29.4644  -20.7491
            15  C1x C    34.2204  -22.1220
            16  C1x C    34.2204  -20.7491
            17  C1y C    33.0313  -20.0625
            18  C1c C    33.0313  -18.6897
            19  C1b C    34.2243  -18.0012
            20  C1b C    35.3985  -18.6792
            21  C1c C    36.5618  -18.0076
            22  C1c C    37.7306  -18.6826
            23  C1a C    37.7306  -20.0622
            24  C1a C    28.2755  -21.4354
            25  C1a C    31.8423  -19.3765
            26  C1a C    31.8423  -18.0034
            27  C1a C    38.9195  -17.9961
            28  O1a O    24.7025  -24.8711
            29  O5x O    29.4648  -26.2896
            30  C1a C    36.5618  -16.6076
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31    2  28 1 #Up
            32    7  29 2
            33   21  30 1 #Up


entry: C15790
name: --- - Cathasterone
formula: C28H48O3
kcf:
ATOM        31
            1   C1x C    25.8789  -22.9295
            2   C1y C    25.8789  -24.3015
            3   C1x C    27.0673  -24.9873
            4   C1y C    28.2555  -24.3015
            5   C1z C    28.2555  -22.9295
            6   C1x C    27.0673  -22.2434
            7   C5x C    29.4436  -24.9873
            8   C1x C    30.6316  -24.3015
            9   C1y C    30.6316  -22.9295
            10  C1y C    29.4436  -22.2434
            11  C1y C    31.8199  -22.2434
            12  C1z C    31.8199  -20.8715
            13  C1x C    30.6316  -20.1853
            14  C1x C    29.4436  -20.8715
            15  C1x C    34.1964  -22.2434
            16  C1x C    34.1964  -20.8715
            17  C1y C    33.0081  -20.1853
            18  C1c C    33.0081  -18.8135
            19  C1c C    34.2003  -18.1254
            20  C1b C    35.3737  -18.8030
            21  C1c C    36.5362  -18.1318
            22  C1c C    37.7042  -18.8064
            23  C1a C    37.7042  -20.1850
            24  C1a C    28.2555  -21.5573
            25  C1a C    31.8199  -19.4998
            26  C1a C    31.8199  -18.1276
            27  C1a C    38.8923  -18.1203
            28  O1a O    24.6850  -24.9906
            29  O5x O    29.4440  -26.4082
            30  O1a O    34.2005  -16.7152
            31  C1a C    36.5362  -16.7318
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31    2  28 1 #Up
            32    7  29 2
            33   19  30 1 #Up
            34   21  31 1 #Up


entry: C15791
name: --- - Teasterone
formula: C28H48O4
kcf:
ATOM        32
            1   C1x C    25.9362  -22.9162
            2   C1y C    25.9362  -24.2876
            3   C1x C    27.1240  -24.9731
            4   C1y C    28.3117  -24.2876
            5   C1z C    28.3117  -22.9162
            6   C1x C    27.1240  -22.2305
            7   C5x C    29.4992  -24.9731
            8   C1x C    30.6867  -24.2876
            9   C1y C    30.6867  -22.9162
            10  C1y C    29.4992  -22.2305
            11  C1y C    31.8745  -22.2305
            12  C1z C    31.8745  -20.8592
            13  C1x C    30.6867  -20.1733
            14  C1x C    29.4992  -20.8592
            15  C1x C    34.2499  -22.2305
            16  C1x C    34.2499  -20.8592
            17  C1y C    33.0621  -20.1733
            18  C1c C    33.0621  -18.8022
            19  C1c C    34.2538  -18.1144
            20  C1c C    35.4266  -18.7917
            21  C1c C    36.5886  -18.1208
            22  C1c C    37.7560  -18.7951
            23  C1a C    37.7560  -20.1730
            24  C1a C    28.3117  -21.5447
            25  C1a C    31.8745  -19.4882
            26  C1a C    31.8745  -18.1166
            27  C1a C    38.9435  -18.1093
            28  O1a O    24.7429  -24.9764
            29  O5x O    29.4996  -26.3934
            30  O1a O    34.2540  -16.7049
            31  O1a O    35.4270  -20.2178
            32  C1a C    36.5886  -16.7208
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31    2  28 1 #Up
            32    7  29 2
            33   19  30 1 #Up
            34   20  31 1 #Up
            35   21  32 1 #Up


entry: C15792
name: --- - 3-Dehydroteasterone
formula: C28H46O4
kcf:
ATOM        32
            1   C1x C    25.8692  -22.9193
            2   C5x C    25.8692  -24.2909
            3   C1x C    27.0571  -24.9765
            4   C1y C    28.2450  -24.2909
            5   C1z C    28.2450  -22.9193
            6   C1x C    27.0571  -22.2336
            7   C5x C    29.4326  -24.9765
            8   C1x C    30.6202  -24.2909
            9   C1y C    30.6202  -22.9193
            10  C1y C    29.4326  -22.2336
            11  C1y C    31.8082  -22.2336
            12  C1z C    31.8082  -20.8621
            13  C1x C    30.6202  -20.1761
            14  C1x C    29.4326  -20.8621
            15  C1x C    34.1838  -22.2336
            16  C1x C    34.1838  -20.8621
            17  C1y C    32.9959  -20.1761
            18  C1c C    32.9959  -18.8049
            19  C1c C    34.1877  -18.1170
            20  C1c C    35.3606  -18.7944
            21  C1c C    36.5228  -18.1234
            22  C1c C    37.6903  -18.7978
            23  C1a C    37.6903  -20.1758
            24  C1a C    28.2450  -21.5477
            25  C1a C    31.8082  -19.4910
            26  C1a C    31.8082  -18.1192
            27  C1a C    38.8779  -18.1119
            28  O5x O    29.4330  -26.3969
            29  O1a O    34.1879  -16.7074
            30  O1a O    35.3610  -20.2206
            31  O5x O    24.6813  -24.9773
            32  C1a C    36.5228  -16.7234
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31    7  28 2
            32   19  29 1 #Up
            33   20  30 1 #Up
            34    2  31 2
            35   21  32 1 #Up


entry: C15793
name: --- - Typhasterol
formula: C28H48O4
kcf:
ATOM        32
            1   C1x C    25.8689  -22.9190
            2   C1y C    25.8689  -24.2906
            3   C1x C    27.0568  -24.9761
            4   C1y C    28.2447  -24.2906
            5   C1z C    28.2447  -22.9190
            6   C1x C    27.0568  -22.2333
            7   C5x C    29.4322  -24.9761
            8   C1x C    30.6198  -24.2906
            9   C1y C    30.6198  -22.9190
            10  C1y C    29.4322  -22.2333
            11  C1y C    31.8078  -22.2333
            12  C1z C    31.8078  -20.8618
            13  C1x C    30.6198  -20.1758
            14  C1x C    29.4322  -20.8618
            15  C1x C    34.1833  -22.2333
            16  C1x C    34.1833  -20.8618
            17  C1y C    32.9955  -20.1758
            18  C1c C    32.9955  -18.8047
            19  C1c C    34.1872  -18.1168
            20  C1c C    35.3601  -18.7942
            21  C1c C    36.5223  -18.1232
            22  C1c C    37.6899  -18.7976
            23  C1a C    37.6899  -20.1755
            24  C1a C    28.2447  -21.5474
            25  C1a C    31.8078  -19.4907
            26  C1a C    31.8078  -18.1190
            27  C1a C    38.8775  -18.1117
            28  O5x O    29.4326  -26.3965
            29  O1a O    34.1874  -16.7071
            30  O1a O    35.3605  -20.2203
            31  O1a O    24.6801  -24.9772
            32  C1a C    36.5223  -16.7232
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31    7  28 2
            32   19  29 1 #Up
            33   20  30 1 #Up
            34    2  31 1 #Down
            35   21  32 1 #Up


entry: C15794
name: --- - Castasterone
formula: C28H48O5
kcf:
ATOM        33
            1   C1y C    25.8747  -22.9251
            2   C1y C    25.8747  -24.2970
            3   C1x C    27.0629  -24.9826
            4   C1y C    28.2511  -24.2970
            5   C1z C    28.2511  -22.9251
            6   C1x C    27.0629  -22.2393
            7   C5x C    29.4388  -24.9826
            8   C1x C    30.6267  -24.2970
            9   C1y C    30.6267  -22.9251
            10  C1y C    29.4388  -22.2393
            11  C1y C    31.8149  -22.2393
            12  C1z C    31.8149  -20.8675
            13  C1x C    30.6267  -20.1813
            14  C1x C    29.4388  -20.8675
            15  C1x C    34.1909  -22.2393
            16  C1x C    34.1909  -20.8675
            17  C1y C    33.0029  -20.1813
            18  C1c C    33.0029  -18.8099
            19  C1c C    34.1948  -18.1218
            20  C1c C    35.3680  -18.7994
            21  C1c C    36.5304  -18.1282
            22  C1c C    37.6983  -18.8028
            23  C1a C    37.6983  -20.1810
            24  C1a C    28.2511  -21.5532
            25  C1a C    31.8149  -19.4961
            26  C1a C    31.8149  -18.1240
            27  C1a C    38.8861  -18.1167
            28  O5x O    29.4392  -26.4033
            29  O1a O    34.1950  -16.7118
            30  O1a O    35.3684  -20.2258
            31  O1a O    24.6857  -24.9837
            32  O1a O    24.6734  -22.2311
            33  C1a C    36.5304  -16.7282
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31    7  28 2
            32   19  29 1 #Up
            33   20  30 1 #Up
            34    2  31 1 #Down
            35    1  32 1 #Down
            36   21  33 1 #Up


entry: C15795
name: --- - 22alpha-Hydroxy-campesterol - (22S)-22-Hydroxy-campesterol
formula: C28H48O2
kcf:
ATOM        30
            1   C1x C    25.8935  -23.6442
            2   C1y C    25.8935  -25.0169
            3   C1x C    27.0823  -25.7033
            4   C2y C    28.2712  -25.0169
            5   C1z C    28.2712  -23.6442
            6   C1x C    27.0823  -22.9578
            7   C2x C    29.4599  -25.7033
            8   C1x C    30.6486  -25.0169
            9   C1y C    30.6486  -23.6442
            10  C1y C    29.4599  -22.9578
            11  C1y C    31.8375  -22.9578
            12  C1z C    31.8375  -21.5851
            13  C1x C    30.6486  -20.8988
            14  C1x C    29.4599  -21.5851
            15  C1x C    34.2152  -22.9578
            16  C1x C    34.2152  -21.5851
            17  C1y C    33.0263  -20.8988
            18  C1c C    33.0263  -19.5261
            19  C1c C    34.2191  -18.8375
            20  C1b C    35.3932  -19.5156
            21  C1c C    36.5563  -18.8439
            22  C1c C    37.7249  -19.5190
            23  C1a C    37.7249  -20.8985
            24  C1a C    28.2712  -22.2715
            25  C1a C    31.8375  -20.2128
            26  C1a C    31.8375  -18.8397
            27  C1a C    38.9136  -18.8325
            28  O1a O    34.2192  -17.4348
            29  O1a O    24.6988  -25.7065
            30  C1a C    36.5563  -17.4439
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32    2  29 1 #Up
            33   21  30 1 #Up


entry: C15796
name: --- - 22alpha-Hydroxy-campest-4-en-3-one - (22S,24R)-22-Hydroxy-ergost-4 en-3-one
formula: C28H46O2
kcf:
ATOM        30
            1   C1x C    25.8929  -23.6435
            2   C5x C    25.8929  -25.0162
            3   C2x C    27.0816  -25.7026
            4   C2y C    28.2705  -25.0162
            5   C1z C    28.2705  -23.6435
            6   C1x C    27.0816  -22.9571
            7   C1x C    29.4592  -25.7026
            8   C1x C    30.6478  -25.0162
            9   C1y C    30.6478  -23.6435
            10  C1y C    29.4592  -22.9571
            11  C1y C    31.8367  -22.9571
            12  C1z C    31.8367  -21.5845
            13  C1x C    30.6478  -20.8982
            14  C1x C    29.4592  -21.5845
            15  C1x C    34.2144  -22.9571
            16  C1x C    34.2144  -21.5845
            17  C1y C    33.0255  -20.8982
            18  C1c C    33.0255  -19.5255
            19  C1c C    34.2183  -18.8369
            20  C1b C    35.3923  -19.5150
            21  C1c C    36.5554  -18.8433
            22  C1c C    37.7240  -19.5184
            23  C1a C    37.7240  -20.8979
            24  C1a C    28.2705  -22.2708
            25  C1a C    31.8367  -20.2122
            26  C1a C    31.8367  -18.8391
            27  C1a C    38.9126  -18.8319
            28  O1a O    34.2184  -17.4343
            29  O5x O    24.6970  -25.7064
            30  C1a C    36.5554  -17.4433
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32    2  29 2
            33   21  30 1 #Up


entry: C15797
name: --- - 22alpha-Hydroxy-5alpha-campestan-3-one - (22S,24R)-22-Hydroxy-5alpha-ergostan-3-one
formula: C28H48O2
kcf:
ATOM        30
            1   C1x C    25.8927  -23.2934
            2   C5x C    25.8927  -24.6661
            3   C1x C    27.0814  -25.3525
            4   C1y C    28.2704  -24.6661
            5   C1z C    28.2704  -23.2934
            6   C1x C    27.0814  -22.6069
            7   C1x C    29.4591  -25.3525
            8   C1x C    30.6476  -24.6661
            9   C1y C    30.6476  -23.2934
            10  C1y C    29.4591  -22.6069
            11  C1y C    31.8365  -22.6069
            12  C1z C    31.8365  -21.2344
            13  C1x C    30.6476  -20.5481
            14  C1x C    29.4591  -21.2344
            15  C1x C    34.2142  -22.6069
            16  C1x C    34.2142  -21.2344
            17  C1y C    33.0253  -20.5481
            18  C1c C    33.0253  -19.1754
            19  C1c C    34.2181  -18.4868
            20  C1b C    35.3921  -19.1649
            21  C1c C    36.5552  -18.4932
            22  C1c C    37.7238  -19.1683
            23  C1a C    37.7238  -20.5478
            24  C1a C    28.2704  -21.9206
            25  C1a C    31.8365  -19.8621
            26  C1a C    31.8365  -18.4890
            27  C1a C    38.9124  -18.4818
            28  O1a O    34.2182  -17.0842
            29  O5x O    24.6969  -25.3563
            30  C1a C    36.5552  -17.0932
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32    2  29 2
            33   21  30 1 #Up


entry: C15798
name: --- - 6-Deoxocathasterone
formula: C28H50O2
kcf:
ATOM        30
            1   C1x C    25.8926  -23.2933
            2   C1y C    25.8926  -24.6660
            3   C1x C    27.0813  -25.3524
            4   C1y C    28.2703  -24.6660
            5   C1z C    28.2703  -23.2933
            6   C1x C    27.0813  -22.6068
            7   C1x C    29.4590  -25.3524
            8   C1x C    30.6475  -24.6660
            9   C1y C    30.6475  -23.2933
            10  C1y C    29.4590  -22.6068
            11  C1y C    31.8364  -22.6068
            12  C1z C    31.8364  -21.2343
            13  C1x C    30.6475  -20.5480
            14  C1x C    29.4590  -21.2343
            15  C1x C    34.2141  -22.6068
            16  C1x C    34.2141  -21.2343
            17  C1y C    33.0252  -20.5480
            18  C1c C    33.0252  -19.1753
            19  C1c C    34.2180  -18.4867
            20  C1b C    35.3920  -19.1648
            21  C1c C    36.5551  -18.4931
            22  C1c C    37.7237  -19.1682
            23  C1a C    37.7237  -20.5477
            24  C1a C    28.2703  -21.9205
            25  C1a C    31.8364  -19.8620
            26  C1a C    31.8364  -18.4889
            27  C1a C    38.9123  -18.4817
            28  O1a O    34.2181  -17.0841
            29  O1a O    24.6969  -25.3560
            30  C1a C    36.5551  -17.0931
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32    2  29 1 #Up
            33   21  30 1 #Up


entry: C15799
name: --- - 6-Deoxoteasterone
formula: C28H50O3
kcf:
ATOM        31
            1   C1x C    25.8855  -23.2858
            2   C1y C    25.8855  -24.6581
            3   C1x C    27.0738  -25.3443
            4   C1y C    28.2625  -24.6581
            5   C1z C    28.2625  -23.2858
            6   C1x C    27.0738  -22.5994
            7   C1x C    29.4509  -25.3443
            8   C1x C    30.6391  -24.6581
            9   C1y C    30.6391  -23.2858
            10  C1y C    29.4509  -22.5994
            11  C1y C    31.8277  -22.5994
            12  C1z C    31.8277  -21.2273
            13  C1x C    30.6391  -20.5412
            14  C1x C    29.4509  -21.2273
            15  C1x C    34.2047  -22.5994
            16  C1x C    34.2047  -21.2273
            17  C1y C    33.0162  -20.5412
            18  C1c C    33.0162  -19.1688
            19  C1c C    34.2086  -18.4804
            20  C1c C    35.3823  -19.1583
            21  C1c C    36.5451  -18.4868
            22  C1c C    37.7134  -19.1617
            23  C1a C    37.7134  -20.5409
            24  C1a C    28.2625  -21.9133
            25  C1a C    31.8277  -19.8554
            26  C1a C    31.8277  -18.4826
            27  C1a C    38.9017  -18.4754
            28  O1a O    34.2087  -17.0782
            29  O1a O    24.6901  -25.3479
            30  O1a O    35.3820  -20.5729
            31  C1a C    36.5451  -17.0868
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32    2  29 1 #Up
            33   20  30 1 #Up
            34   21  31 1 #Up


entry: C15800
name: --- - 3-Dehydro-6-deoxoteasterone
formula: C28H48O3
kcf:
ATOM        31
            1   C1x C    25.8864  -23.2867
            2   C5x C    25.8864  -24.6591
            3   C1x C    27.0747  -25.3453
            4   C1y C    28.2634  -24.6591
            5   C1z C    28.2634  -23.2867
            6   C1x C    27.0747  -22.6003
            7   C1x C    29.4519  -25.3453
            8   C1x C    30.6401  -24.6591
            9   C1y C    30.6401  -23.2867
            10  C1y C    29.4519  -22.6003
            11  C1y C    31.8288  -22.6003
            12  C1z C    31.8288  -21.2281
            13  C1x C    30.6401  -20.5420
            14  C1x C    29.4519  -21.2281
            15  C1x C    34.2058  -22.6003
            16  C1x C    34.2058  -21.2281
            17  C1y C    33.0173  -20.5420
            18  C1c C    33.0173  -19.1696
            19  C1c C    34.2097  -18.4812
            20  C1c C    35.3835  -19.1591
            21  C1c C    36.5463  -18.4876
            22  C1c C    37.7146  -19.1625
            23  C1a C    37.7146  -20.5417
            24  C1a C    28.2634  -21.9142
            25  C1a C    31.8288  -19.8562
            26  C1a C    31.8288  -18.4834
            27  C1a C    38.9030  -18.4762
            28  O1a O    34.2098  -17.0789
            29  O1a O    35.3832  -20.5737
            30  O5x O    24.6925  -25.3482
            31  C1a C    36.5463  -17.0876
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32   20  29 1 #Up
            33    2  30 2
            34   21  31 1 #Up


entry: C15801
name: --- - 6-Deoxotyphasterol
formula: C28H50O3
kcf:
ATOM        31
            1   C1x C    25.8864  -23.2867
            2   C1y C    25.8864  -24.6591
            3   C1x C    27.0747  -25.3453
            4   C1y C    28.2634  -24.6591
            5   C1z C    28.2634  -23.2867
            6   C1x C    27.0747  -22.6003
            7   C1x C    29.4519  -25.3453
            8   C1x C    30.6401  -24.6591
            9   C1y C    30.6401  -23.2867
            10  C1y C    29.4519  -22.6003
            11  C1y C    31.8288  -22.6003
            12  C1z C    31.8288  -21.2281
            13  C1x C    30.6401  -20.5420
            14  C1x C    29.4519  -21.2281
            15  C1x C    34.2058  -22.6003
            16  C1x C    34.2058  -21.2281
            17  C1y C    33.0173  -20.5420
            18  C1c C    33.0173  -19.1696
            19  C1c C    34.2097  -18.4812
            20  C1c C    35.3835  -19.1591
            21  C1c C    36.5464  -18.4876
            22  C1c C    37.7147  -19.1625
            23  C1a C    37.7147  -20.5417
            24  C1a C    28.2634  -21.9142
            25  C1a C    31.8288  -19.8562
            26  C1a C    31.8288  -18.4834
            27  C1a C    38.9031  -18.4762
            28  O1a O    34.2098  -17.0789
            29  O1a O    35.3832  -20.5737
            30  O1a O    24.6923  -25.3483
            31  C1a C    36.5464  -17.0876
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32   20  29 1 #Up
            33    2  30 1 #Down
            34   21  31 1 #Up


entry: C15802
name: --- - 6-Deoxocastasterone
formula: C28H50O4
kcf:
ATOM        32
            1   C1y C    25.8973  -23.2982
            2   C1y C    25.8973  -24.6712
            3   C1x C    27.0861  -25.3576
            4   C1y C    28.2752  -24.6712
            5   C1z C    28.2752  -23.2982
            6   C1x C    27.0861  -22.6115
            7   C1x C    29.4642  -25.3576
            8   C1x C    30.6529  -24.6712
            9   C1y C    30.6529  -23.2982
            10  C1y C    29.4642  -22.6115
            11  C1y C    31.8421  -22.6115
            12  C1z C    31.8421  -21.2388
            13  C1x C    30.6529  -20.5524
            14  C1x C    29.4642  -21.2388
            15  C1x C    34.2201  -22.6115
            16  C1x C    34.2201  -21.2388
            17  C1y C    33.0311  -20.5524
            18  C1c C    33.0311  -19.1794
            19  C1c C    34.2240  -18.4907
            20  C1c C    35.3983  -19.1689
            21  C1c C    36.5616  -18.4971
            22  C1c C    37.7304  -19.1723
            23  C1a C    37.7304  -20.5521
            24  C1a C    28.2752  -21.9251
            25  C1a C    31.8421  -19.8663
            26  C1a C    31.8421  -18.4929
            27  C1a C    38.9193  -18.4857
            28  O1a O    34.2241  -17.0879
            29  O1a O    35.3980  -20.5841
            30  O1a O    24.7027  -25.3606
            31  O1a O    24.7046  -22.6100
            32  C1a C    36.5616  -17.0971
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32   20  29 1 #Up
            33    2  30 1 #Down
            34    1  31 1 #Down
            35   21  32 1 #Up


entry: C15803
name: --- - 6alpha-Hydroxy-castasterone
formula: C28H50O5
kcf:
ATOM        33
            1   C1y C    25.8973  -22.9482
            2   C1y C    25.8973  -24.3212
            3   C1x C    27.0861  -25.0076
            4   C1y C    28.2752  -24.3212
            5   C1z C    28.2752  -22.9482
            6   C1x C    27.0861  -22.2615
            7   C1y C    29.4642  -25.0076
            8   C1x C    30.6529  -24.3212
            9   C1y C    30.6529  -22.9482
            10  C1y C    29.4642  -22.2615
            11  C1y C    31.8421  -22.2615
            12  C1z C    31.8421  -20.8888
            13  C1x C    30.6529  -20.2024
            14  C1x C    29.4642  -20.8888
            15  C1x C    34.2201  -22.2615
            16  C1x C    34.2201  -20.8888
            17  C1y C    33.0311  -20.2024
            18  C1c C    33.0311  -18.8294
            19  C1c C    34.2240  -18.1407
            20  C1c C    35.3983  -18.8189
            21  C1c C    36.5616  -18.1471
            22  C1c C    37.7304  -18.8223
            23  C1a C    37.7304  -20.2021
            24  C1a C    28.2752  -21.5751
            25  C1a C    31.8421  -19.5163
            26  C1a C    31.8421  -18.1429
            27  C1a C    38.9193  -18.1357
            28  O1a O    34.2241  -16.7379
            29  O1a O    35.3980  -20.2341
            30  O1a O    24.7027  -25.0106
            31  O1a O    24.7046  -22.2600
            32  O1a O    29.4642  -26.4076
            33  C1a C    36.5616  -16.7471
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32   20  29 1 #Up
            33    2  30 1 #Down
            34    1  31 1 #Down
            35    7  32 1 #Down
            36   21  33 1 #Up


entry: C15808
formula: C29H46O3
name:
--- 
- 4alpha-Methylzymosterol-4-carboxylate
- 4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol

kcf:
ATOM        32
            1   C2y C    20.9626  -16.4874
            2   C2y C    19.7641  -15.7945
            3   C1y C    22.1673  -15.7820
            4   C1x C    20.9751  -17.8731
            5   C1z C    18.5719  -16.4936
            6   C1x C    19.7516  -14.4089
            7   C1z C    22.1737  -14.3964
            8   C1x C    24.5769  -15.7945
            9   C1x C    19.7705  -18.5598
            10  C1y C    18.5719  -17.8668
            11  C1x C    17.3857  -15.8134
            12  C1a C    18.5657  -15.1954
            13  C1x C    20.9565  -13.7034
            14  C1y C    23.3783  -13.6972
            15  C1a C    22.1673  -13.0356
            16  C1x C    24.5769  -14.4025
            17  C1z C    17.3857  -18.5598
            18  C1x C    16.2061  -16.4936
            19  C1c C    23.3845  -12.3427
            20  C1y C    16.2061  -17.8668
            21  C1b C    24.5581  -11.6685
            22  C1a C    22.2111  -11.6560
            23  O1a O    15.0264  -18.5411
            24  C1b C    25.7316  -12.3490
            25  C2b C    26.9113  -11.6747
            26  C2c C    28.0848  -12.3552
            27  C1a C    29.2645  -11.6810
            28  C1a C    28.0785  -13.7159
            29  C1a C    16.1739  -19.2594
            30  C6a C    17.3857  -19.9591
            31  O6a O    16.1739  -20.6587
            32  O6a O    18.5976  -20.6587
BOND        35
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   14  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 1 #Up
            23   21  24 1
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   26  28 1
            28    7  13 1
            29    9  10 1
            30   14  16 1
            31   18  20 1
            32   17  29 1 #Up
            33   17  30 1
            34   30  31 1
            35   30  32 2


entry: C15809
name: --- - Iminoglycine - Iminoacetic acid
formula: C2H3NO2
kcf:
ATOM        5
            1   C6a C    21.9784  -18.6704
            2   C2b C    23.1307  -19.4270
            3   O6a O    20.7503  -19.3631
            4   O6a O    22.0018  -17.2679
            5   N2a N    23.1014  -20.8355
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2


entry: C15816
name: --- - 3-Keto-4-methylzymosterol
formula: C28H44O
kcf:
ATOM        29
            1   C2y C    20.9730  -16.8458
            2   C2y C    19.7739  -16.1525
            3   C1y C    22.1783  -16.1400
            4   C1x C    20.9855  -18.2322
            5   C1z C    18.5811  -16.8520
            6   C1x C    19.7614  -14.7662
            7   C1z C    22.1847  -14.7537
            8   C1x C    24.5891  -16.1525
            9   C1x C    19.7803  -18.9192
            10  C1y C    18.5811  -18.2259
            11  C1x C    17.3944  -16.1714
            12  C1a C    18.5749  -15.5531
            13  C1x C    20.9669  -14.0604
            14  C1y C    23.3899  -14.0542
            15  C1a C    22.1783  -13.3923
            16  C1x C    24.5891  -14.7598
            17  C1y C    17.3944  -18.9192
            18  C1x C    16.2142  -16.8520
            19  C1c C    23.3961  -12.6990
            20  C5x C    16.2142  -18.2259
            21  C1b C    24.5703  -12.0245
            22  C1a C    22.2222  -12.0120
            23  O5x O    15.0339  -18.9005
            24  C1b C    25.7444  -12.7053
            25  C2b C    26.9247  -12.0307
            26  C2c C    28.0988  -12.7115
            27  C1a C    29.2791  -12.0370
            28  C1a C    28.0925  -14.0729
            29  C1a C    17.3934  -20.2938
BOND        32
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   14  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   26  28 1
            28    7  13 1
            29    9  10 1
            30   14  16 1
            31   18  20 1
            32   17  29 1


entry: C15817
name: --- - Heme C
formula: C40H46FeN6O8S2
kcf:
ATOM        57
            1   C8y C    36.7911  -19.9293
            2   C8x C    35.5477  -20.4717
            3   N4y N    36.8855  -18.5739
            4   C8y C    38.1233  -20.4420
            5   C8y C    34.2681  -19.9609
            6   C8y C    38.2058  -18.2590
            7   C8y C    38.9324  -19.4068
            8   C8y C    33.0612  -20.5665
            9   N5x N    34.0535  -18.6102
            10  C8x C    38.6935  -17.0390
            11  N4y N    33.9590  -15.6825
            12  C8y C    32.0906  -19.6614
            13  C8y C    32.7216  -18.3898
            14  C8y C    38.1941  -15.8203
            15  C8y C    34.1317  -14.3320
            16  C8y C    32.6085  -15.9206
            17  C8x C    32.1805  -17.1885
            18  C8y C    38.8065  -14.5885
            19  N5x N    36.8494  -15.6114
            20  C8y C    32.9000  -13.7558
            21  C8x C    35.3635  -13.6730
            22  C8y C    31.9671  -14.7308
            23  C8y C    37.8372  -13.6486
            24  C8y C    36.6300  -14.2796
            25  C1c C    32.8884  -12.3819
            26  C1a C    30.5990  -14.7308
            27  C1a C    37.8256  -12.2745
            28  C1a C    34.0729  -11.6813
            29  C1c C    40.1630  -14.3629
            30  C1a C    41.0778  -15.4740
            31  C1b C    38.0862  -21.8863
            32  C1b C    39.3279  -22.6368
            33  C6a C    39.2914  -24.0799
            34  O6a O    40.5329  -24.8305
            35  O6a O    38.0274  -24.7795
            36  C1b C    33.0061  -21.9113
            37  C1b C    31.8085  -22.5431
            38  C6a C    31.7535  -23.8878
            39  O6a O    30.5559  -24.5125
            40  O6a O    32.8892  -24.6147
            41  C1a C    30.6485  -19.7277
            42  C1a C    40.2412  -19.4700
            43  Z   Fe   35.3809  -17.1294 #2+
            44  S2a S    31.6817  -11.7003
            45  C1b C    31.6680  -10.2906
            46  C1c C    30.4275   -9.5901
            47  N1a N    29.2386  -10.2918
            48  C6a C    30.4141   -8.1905
            49  O6a O    29.1692   -7.4871
            50  O6a O    31.5945   -7.4936
            51  S2a S    40.6605  -13.0350
            52  C1b C    42.0531  -12.8031
            53  C1c C    42.5442  -11.4928
            54  C6a C    43.9426  -11.2601
            55  N1a N    41.6549  -10.4120
            56  O6a O    44.8439  -12.3556
            57  O6a O    44.4330   -9.9523
BOND        62
            1    11  16 1
            2    13  17 2
            3    14  18 1
            4    14  19 2
            5    15  20 2
            6    15  21 1
            7    16  22 2
            8    18  23 2
            9    19  24 1
            10   20  25 1
            11   22  26 1
            12   23  27 1
            13    6   7 1
            14   12  13 1
            15   16  17 1
            16   20  22 1
            17   21  24 2
            18   23  24 1
            19   25  28 1
            20   18  29 1
            21   29  30 1
            22    1   2 2
            23    4  31 1
            24    1   3 1
            25   31  32 1
            26    1   4 1
            27   32  33 1
            28    2   5 1
            29   33  34 2
            30    3   6 1
            31   33  35 1
            32    4   7 2
            33    8  36 1
            34    5   8 1
            35   36  37 1
            36    5   9 2
            37   37  38 1
            38    6  10 2
            39   38  39 1
            40    8  12 2
            41   38  40 2
            42    9  13 1
            43   12  41 1
            44   10  14 1
            45    7  42 1
            46   11  15 1
            47   11  43 1
            48    3  43 1
            49   25  44 1
            50   44  45 1
            51   45  46 1
            52   46  47 1
            53   46  48 1
            54   48  49 1
            55   48  50 2
            56   29  51 1
            57   51  52 1
            58   52  53 1
            59   53  54 1
            60   53  55 1
            61   54  56 2
            62   54  57 1


entry: C15819
name: --- - FK463
formula: C56H70N9O23S. Na
kcf:
ATOM        90
            1   Z   Na   28.5600  -20.0200 #+
            2   N1y N    31.0800  -26.7400
            3   C1y C    31.0800  -25.3400
            4   C1x C    29.6800  -27.0900
            5   C1y C    29.0500  -25.9000
            6   C1x C    29.8200  -24.7800
            7   O1a O    27.6500  -25.8300
            8   C5x C    32.2000  -27.3700
            9   C1y C    33.4600  -26.7400
            10  N1x N    34.5800  -27.3700
            11  C5x C    35.7700  -26.7400
            12  C1y C    36.9600  -27.3700
            13  C1x C    38.0800  -26.7400
            14  C1y C    39.2700  -27.3700
            15  C1y C    40.4600  -26.7400
            16  N1x N    41.6500  -27.3700
            17  C5x C    42.7700  -26.7400
            18  O5x O    31.7100  -28.4900
            19  C1y C    42.7700  -25.3400
            20  C1c C    33.4600  -28.0000
            21  O5x O    35.7700  -28.0000
            22  N1b N    36.9600  -31.9900
            23  O1a O    40.4600  -28.1400
            24  O5x O    43.9600  -27.3000
            25  N1y N    41.6500  -24.6400
            26  C5x C    40.4600  -25.3400
            27  C1y C    39.3400  -24.6400
            28  N1x N    38.1500  -25.3400
            29  C5x C    36.9600  -24.6400
            30  C1y C    35.8400  -25.3400
            31  N1x N    34.6500  -24.6400
            32  C5x C    33.6000  -25.3400
            33  C1y C    43.8200  -24.4300
            34  C1y C    43.1900  -23.1700
            35  C1x C    41.9300  -23.3100
            36  O5x O    33.3200  -24.2200
            37  O5x O    40.4600  -24.0100
            38  O5x O    36.9600  -23.5200
            39  O1a O    34.1600  -29.1900
            40  C1a C    32.7600  -29.1900
            41  O1a O    45.0800  -24.6400
            42  C1a C    43.8900  -22.0500
            43  C1c C    39.3400  -22.8200
            44  C1b C    40.2500  -21.9100
            45  C5a C    40.2500  -20.5100
            46  O1a O    38.3600  -21.9100
            47  O5a O    41.2300  -19.5300
            48  N1a N    39.3400  -19.5300
            49  C1c C    35.8400  -24.0100
            50  O1a O    36.1900  -22.6800
            51  C1c C    35.1400  -22.8200
            52  O1a O    33.8100  -22.8200
            53  C8y C    35.1400  -21.4900
            54  C8x C    36.3300  -20.7900
            55  C8x C    36.3300  -19.4600
            56  C8y C    35.1400  -18.7600
            57  C8y C    34.0200  -19.4600
            58  C8x C    34.0200  -20.7900
            59  O1a O    35.1400  -17.3600
            60  O2a O    32.8300  -18.7600
            61  S4a S    31.7100  -19.4600
            62  O3c O    30.5200  -18.7600
            63  O3c O    31.7100  -20.7900
            64  O0  O    30.5200  -20.0900 #-
            65  C5a C    38.0800  -32.6200
            66  C8y C    39.3400  -31.9900
            67  O5a O    38.0800  -34.0200
            68  C8x C    40.4600  -32.6200
            69  C8x C    41.7200  -31.9900
            70  C8y C    41.7200  -30.5900
            71  C8x C    40.4600  -29.8900
            72  C8x C    39.3400  -30.5900
            73  O1a O    39.3400  -28.7700
            74  C8y C    42.8400  -29.8900
            75  C8x C    44.1000  -30.4500
            76  C8y C    45.0100  -29.4700
            77  O2x O    44.3800  -28.2800
            78  N5x N    42.9800  -28.5600
            79  C8y C    46.2000  -30.1000
            80  C8x C    46.2000  -31.5000
            81  C8x C    47.3200  -32.2000
            82  C8x C    48.5800  -31.5000
            83  C8y C    48.5800  -30.1000
            84  C8x C    47.3200  -29.4700
            85  O2a O    49.7700  -29.4700
            86  C1b C    50.8900  -30.1000
            87  C1b C    52.0800  -29.4700
            88  C1b C    53.2700  -30.1000
            89  C1b C    54.4600  -29.4700
            90  C1a C    55.6500  -30.1000
BOND        95
            1     2   3 1
            2     2   4 1
            3     4   5 1
            4     5   6 1
            5     6   3 1
            6     5   7 1 #Down
            7     2   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17    8  18 2
            18   17  19 1
            19    9  20 1
            20   11  21 2
            21   12  22 1 #Down
            22   15  23 1
            23   17  24 2
            24   19  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32   3 1
            33   19  33 1
            34   33  34 1
            35   34  35 1
            36   25  35 1
            37   32  36 2
            38   26  37 2
            39   29  38 2
            40   20  39 1 #Down
            41   20  40 1
            42   33  41 1 #Down
            43   34  42 1
            44   27  43 1
            45   43  44 1
            46   44  45 1
            47   43  46 1 #Down
            48   45  47 2
            49   45  48 1
            50   30  49 1
            51   49  50 1 #Up
            52   49  51 1
            53   51  52 1
            54   51  53 1 #Up
            55   53  54 2
            56   54  55 1
            57   55  56 2
            58   56  57 1
            59   57  58 2
            60   53  58 1
            61   56  59 1
            62   57  60 1
            63   60  61 1
            64   61  62 2
            65   61  63 2
            66   61  64 1
            67   22  65 1
            68   65  66 1
            69   65  67 2
            70   66  68 2
            71   68  69 1
            72   69  70 2
            73   70  71 1
            74   71  72 2
            75   66  72 1
            76   14  73 1 #Down
            77   70  74 1
            78   74  75 1
            79   75  76 2
            80   76  77 1
            81   77  78 1
            82   74  78 2
            83   79  80 2
            84   80  81 1
            85   81  82 2
            86   82  83 1
            87   83  84 2
            88   79  84 1
            89   79  76 1
            90   83  85 1
            91   85  86 1
            92   86  87 1
            93   87  88 1
            94   88  89 1
            95   89  90 1


entry: C15820
name: --- - Teicoplanin
formula: C58H42Cl2N7O18(R1)(R2)(R3)
kcf:
ATOM        88
            1   Z   R#   33.8100  -20.1600
            2   C8y C    41.5800  -19.6000
            3   C8y C    40.4600  -20.2300
            4   C8y C    42.7000  -20.1600
            5   O2a O    41.5800  -18.2700
            6   C8x C    40.4600  -21.5600
            7   O2x O    39.3400  -19.6000
            8   C8x C    42.7000  -21.4900
            9   O2x O    43.8200  -19.5300
            10  C8y C    41.6500  -22.1200
            11  C8y C    38.2900  -20.2300
            12  C8y C    44.9400  -20.1600
            13  C1y C    41.6500  -24.1500
            14  C8y C    38.2900  -21.5600
            15  C8x C    37.1000  -19.6000
            16  C8y C    46.0600  -19.5300
            17  C8x C    44.9400  -21.4200
            18  C5x C    40.6000  -24.7800
            19  N1x N    42.7700  -24.7100
            20  C8x C    37.1700  -22.1900
            21  X   Cl   39.3400  -22.1900
            22  C8x C    36.0500  -20.2300
            23  C8x C    47.1100  -20.0900
            24  X   Cl   46.0600  -18.2000
            25  C8x C    46.1300  -22.0500
            26  N1x N    39.4100  -24.1500
            27  O5x O    40.6000  -26.0400
            28  C5x C    43.8900  -24.0800
            29  C8y C    36.0500  -21.5600
            30  C8y C    47.1100  -21.4200
            31  C1y C    38.3600  -24.7800
            32  C1y C    45.0100  -24.6400
            33  O5x O    43.8900  -22.7500
            34  C1y C    34.9300  -22.2600
            35  C1x C    48.3000  -22.0500
            36  C8y C    38.3600  -26.0400
            37  C5x C    37.2400  -24.1500
            38  N1x N    46.1300  -24.0100
            39  C1y C    34.9300  -24.1500
            40  O2a O    33.8100  -21.6300
            41  C1y C    48.3000  -24.0100
            42  C8x C    37.2400  -26.7400
            43  C8x C    39.4800  -26.7400
            44  N1x N    36.1200  -24.7800
            45  C5x C    47.1800  -24.6400
            46  C5x C    33.8800  -24.8500
            47  C8y C    37.2400  -28.0000
            48  C8x C    39.4800  -28.0000
            49  O5x O    47.1800  -25.9700
            50  N1x N    33.8800  -26.0400
            51  O5x O    32.6900  -24.2200
            52  C8y C    36.1200  -28.6300
            53  C8y C    38.3600  -28.6300
            54  C1y C    35.0000  -26.7400
            55  C8y C    35.0000  -28.0000
            56  C8y C    36.1200  -29.9600
            57  O1a O    38.3600  -29.9600
            58  C6a C    32.9000  -28.0000
            59  C8x C    34.0200  -28.6300
            60  C8x C    35.0700  -30.5900
            61  O2a O    37.3100  -30.5900
            62  O6a O    31.5700  -28.0000
            63  O6a O    32.9000  -29.3300
            64  C8y C    34.0200  -29.9600
            65  O1a O    32.8300  -30.6600
            66  Z   R#   37.3100  -31.9200
            67  C8y C    45.0100  -25.9700
            68  C8x C    43.8900  -26.6000
            69  C8y C    43.8900  -27.8600
            70  C8x C    45.0100  -28.5600
            71  C8y C    46.1300  -27.8600
            72  C8x C    46.1300  -26.6000
            73  O1a O    42.7700  -28.5600
            74  Z   R#   39.8300  -17.6400
            75  O5x O    37.2400  -22.8200
            76  O2x O    47.2500  -28.4900
            77  C8y C    47.2500  -29.8200
            78  C8y C    46.0600  -30.5200
            79  C8x C    46.1300  -31.7800
            80  C8x C    47.2500  -32.4100
            81  C8y C    48.3700  -31.7800
            82  C8x C    48.3700  -30.4500
            83  O1a O    44.9400  -29.8200
            84  C1y C    49.4900  -32.4100
            85  C5x C    50.6100  -31.7800
            86  O5x O    51.7300  -32.4100
            87  N1x N    50.6100  -24.6400
            88  N1a N    49.4900  -33.7400
BOND        98
            1    13  18 1
            2    13  19 1 #Up
            3    14  20 2
            4    14  21 1
            5    15  22 1
            6    16  23 2
            7    16  24 1
            8    17  25 1
            9    18  26 1
            10   18  27 2
            11   19  28 1
            12   20  29 1
            13   23  30 1
            14   31  26 1 #Down
            15   28  32 1
            16   28  33 2
            17   29  34 1
            18   30  35 1
            19   31  36 1
            20   31  37 1
            21   32  38 1 #Up
            22   34  39 1
            23   34  40 1 #Down
            24   35  41 1
            25   36  42 1
            26   36  43 2
            27   37  44 1
            28   38  45 1
            29   39  46 1
            30   42  47 2
            31   43  48 1
            32   45  49 2
            33   46  50 1
            34   46  51 2
            35   47  52 1
            36   47  53 1
            37   54  50 1
            38   52  55 2
            39   52  56 1
            40   53  57 1
            41   54  58 1 #Up
            42   55  59 1
            43   56  60 2
            44   56  61 1
            45   58  62 1
            46   58  63 2
            47   59  64 2
            48   64  65 1
            49    8  10 2
            50   22  29 2
            51   25  30 2
            52   39  44 1 #Down
            53   41  45 1
            54   48  53 2
            55   54  55 1
            56   60  64 1
            57   66  61 1 #Up
            58    2   3 1
            59    2   4 2
            60    2   5 1
            61   32  67 1
            62    3   6 2
            63    3   7 1
            64    4   8 1
            65    4   9 1
            66   67  68 2
            67   68  69 1
            68   69  70 2
            69   70  71 1
            70   71  72 2
            71   72  67 1
            72    6  10 1
            73   69  73 1
            74    7  11 1
            75    9  12 1
            76   10  13 1
            77   11  14 1
            78   11  15 2
            79   12  16 1
            80   12  17 2
            81    5  74 1
            82   37  75 2
            83    1  40 1 #Up
            84   71  76 1
            85   76  77 1
            86   77  78 2
            87   78  79 1
            88   79  80 2
            89   80  81 1
            90   81  82 2
            91   77  82 1
            92   78  83 1
            93   81  84 1
            94   84  85 1
            95   85  86 2
            96   41  87 1 #Up
            97   84  88 1 #Down
            98   87  85 1


entry: C15853
name: --- - Dehydrospermidine
formula: C7H17N3
kcf:
ATOM        10
            1   C2b C    25.0600  -26.6700
            2   C1b C    23.8700  -25.9700
            3   C1b C    22.6800  -26.6700
            4   C1b C    21.4200  -25.9700
            5   N1a N    20.2300  -26.6700
            6   N2b N    26.4600  -26.6700
            7   C1b C    27.6500  -27.3700
            8   C1b C    28.8400  -26.6700
            9   C1b C    30.1000  -27.3700
            10  N1a N    31.2900  -26.6700
BOND        9
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9     1   6 2


entry: C15854
name: --- - N-(4-Aminobutylidene)-[eIF5A-precursor]-lysine - N-(4-Aminobutylidene)-[enzyme]-lysine
formula: C11H20N4O2R2
kcf:
ATOM        19
            1   C1c C    21.4589  -27.1708
            2   C1b C    22.6278  -27.8584
            3   C5a C    20.2212  -27.8584
            4   N1b N    21.4589  -25.7956
            5   C1b C    23.7967  -27.1708
            6   N1b N    19.0523  -27.1708
            7   O5a O    20.2212  -29.2336
            8   C5a C    19.9462  -24.7643
            9   C1b C    24.9656  -27.8584
            10  R   R    17.8834  -27.8584
            11  O5a O    18.5673  -25.1018
            12  R   R    19.9462  -23.2491
            13  C1b C    26.2032  -27.1708
            14  N2b N    27.3721  -27.8584
            15  C2b C    28.7473  -27.8584
            16  C1b C    29.9849  -28.5460
            17  C1b C    31.1538  -27.8584
            18  C1b C    32.3227  -28.5460
            19  N1a N    33.5604  -27.8584
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    8  11 2
            11    8  12 1
            12    9  13 1
            13   13  14 1
            14   14  15 2
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   16  15 1


entry: C15857
name: --- - 9,9'-Di-cis-zeta-carotene
formula: C40H60
kcf:
ATOM        40
            1   C1a C    14.0000  -27.0200
            2   C2c C    15.1900  -26.3200
            3   C2b C    16.3800  -27.0200
            4   C1b C    17.6400  -26.3200
            5   C1b C    18.8300  -27.0200
            6   C2c C    20.0200  -26.3200
            7   C2b C    21.2800  -27.0200
            8   C1b C    22.4700  -26.3200
            9   C1b C    23.6600  -27.0200
            10  C1a C    15.1900  -24.9200
            11  C1a C    20.0200  -24.9200
            12  C2c C    23.6600  -28.4200
            13  C1a C    22.4700  -29.1200
            14  C2b C    24.8500  -29.1200
            15  C2b C    26.0400  -28.4200
            16  C2b C    27.3000  -29.1200
            17  C2c C    28.4900  -28.4200
            18  C2b C    29.6800  -29.1200
            19  C2b C    30.8700  -28.4200
            20  C2b C    32.1300  -29.1200
            21  C2b C    33.3200  -28.4200
            22  C2c C    34.5100  -29.1200
            23  C2b C    35.7700  -28.4200
            24  C2b C    36.9600  -29.1200
            25  C2b C    38.1500  -28.4200
            26  C2c C    39.4100  -29.1200
            27  C1a C    40.6000  -28.4200
            28  C1a C    28.4900  -27.0200
            29  C1a C    34.5100  -30.5200
            30  C1b C    39.4100  -30.5200
            31  C1b C    40.6000  -31.2200
            32  C2b C    41.7900  -30.5200
            33  C2c C    42.9800  -31.2200
            34  C1b C    44.1700  -30.5200
            35  C1b C    45.4300  -31.2200
            36  C2b C    46.6200  -30.5200
            37  C2c C    47.8100  -31.2200
            38  C1a C    49.0700  -30.5200
            39  C1a C    42.9800  -32.6200
            40  C1a C    47.8100  -32.6200
BOND        39
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 1
            9     2  10 1
            10    6  11 1
            11    9  12 1
            12   12  13 1
            13   12  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   17  28 1
            28   22  29 1
            29   26  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 2
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   33  39 1
            39   37  40 1


entry: C15858
name: --- - 7,9,7',9'-Tetra-cis-lycopene
formula: C40H56
kcf:
ATOM        40
            1   C1a C    15.2195  -24.9069
            2   C2c C    16.4120  -24.2054
            3   C2b C    17.6045  -24.9069
            4   C1b C    18.8671  -24.2054
            5   C1b C    20.0597  -24.9069
            6   C2c C    21.2522  -24.2054
            7   C2b C    22.5148  -24.9069
            8   C2b C    23.7073  -24.2054
            9   C2b C    24.8998  -24.9069
            10  C1a C    16.4120  -22.8025
            11  C1a C    21.2522  -22.8025
            12  C2c C    24.8998  -26.3098
            13  C1a C    23.7073  -27.0113
            14  C2b C    26.0923  -27.0113
            15  C2b C    27.2848  -26.3098
            16  C2b C    28.5475  -27.0113
            17  C2c C    29.7400  -26.3098
            18  C2b C    30.9325  -27.0113
            19  C2b C    32.1250  -26.3098
            20  C2b C    33.3877  -27.0113
            21  C2b C    34.5802  -26.3098
            22  C2c C    35.7727  -27.0113
            23  C2b C    37.0353  -26.3098
            24  C2b C    38.2278  -27.0113
            25  C2b C    39.4203  -26.3098
            26  C2c C    40.6830  -27.0113
            27  C1a C    41.8755  -26.3098
            28  C1a C    29.7400  -24.9069
            29  C1a C    35.7727  -28.4143
            30  C2b C    40.6830  -28.4143
            31  C2b C    41.8755  -29.1157
            32  C2b C    43.0680  -28.4143
            33  C2c C    44.2605  -29.1157
            34  C1b C    45.4530  -28.4143
            35  C1b C    46.7157  -29.1157
            36  C2b C    47.9082  -28.4143
            37  C2c C    49.1007  -29.1157
            38  C1a C    50.3633  -28.4143
            39  C1a C    44.2605  -30.5187
            40  C1a C    49.1007  -30.5187
BOND        39
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     2  10 1
            10    6  11 1
            11    9  12 1
            12   12  13 1
            13   12  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   17  28 1
            28   22  29 1
            29   26  30 1
            30   30  31 2
            31   31  32 1
            32   32  33 2
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   33  39 1
            39   37  40 1


entry: C15859
name: --- - 1'-Hydroxy-gamma-carotene
formula: C40H58O
kcf:
ATOM        41
            1   C2y C    18.8110  -26.6891
            2   C2b C    20.0255  -25.9885
            3   C2b C    21.2398  -26.6891
            4   C2c C    22.4542  -25.9885
            5   C2b C    23.6688  -26.6891
            6   C2b C    24.8831  -25.9885
            7   C2b C    26.0975  -26.6891
            8   C2c C    27.3119  -25.9885
            9   C2b C    28.5263  -26.6891
            10  C2b C    29.7407  -25.9885
            11  C2b C    30.9552  -26.6891
            12  C2b C    32.1696  -25.9885
            13  C2c C    33.3839  -26.6891
            14  C2b C    34.5984  -25.9885
            15  C2b C    35.8128  -26.6891
            16  C2b C    37.0271  -25.9885
            17  C2c C    38.2416  -26.6891
            18  C2b C    39.4560  -25.9885
            19  C2b C    40.6704  -26.6891
            20  C2b C    41.8849  -25.9885
            21  C2c C    43.0992  -26.6891
            22  C1b C    44.3136  -25.9885
            23  C1b C    45.5280  -26.6891
            24  C1b C    46.7424  -25.9885
            25  C1d C    47.9569  -26.6891
            26  C1a C    49.1246  -25.9885
            27  C1a C    22.4542  -24.5873
            28  C1a C    27.3119  -24.5873
            29  C1a C    38.2416  -28.0905
            30  C1a C    43.0992  -28.0905
            31  O1a O    47.9569  -28.0905
            32  C1z C    17.5956  -25.9826
            33  C1x C    16.3804  -26.6794
            34  C1x C    16.3762  -28.0803
            35  C1x C    17.5916  -28.7868
            36  C2y C    18.8069  -28.0900
            37  C1a C    18.5762  -25.0020
            38  C1a C    16.6150  -25.0020
            39  C1a C    20.0173  -28.7937
            40  C1a C    33.3783  -28.0839
            41  C1a C    49.3092  -27.0514
BOND        41
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26    4  27 1
            27    8  28 1
            28   17  29 1
            29   21  30 1
            30   25  31 1
            31    1  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36    1  36 2
            37   32  37 1
            38   32  38 1
            39   36  39 1
            40   13  40 1
            41   25  41 1


entry: C15860
name: --- - 1'-Hydroxytorulene
formula: C40H56O
kcf:
ATOM        41
            1   C2y C    18.7409  -26.6890
            2   C2b C    19.9554  -25.9884
            3   C2b C    21.1697  -26.6890
            4   C2c C    22.3841  -25.9884
            5   C2b C    23.5987  -26.6890
            6   C2b C    24.8130  -25.9884
            7   C2b C    26.0274  -26.6890
            8   C2c C    27.2418  -25.9884
            9   C2b C    28.4562  -26.6890
            10  C2b C    29.6706  -25.9884
            11  C2b C    30.8851  -26.6890
            12  C2b C    32.0995  -25.9884
            13  C2c C    33.3138  -26.6890
            14  C2b C    34.5283  -25.9884
            15  C2b C    35.7427  -26.6890
            16  C2b C    36.9569  -25.9884
            17  C2c C    38.1714  -26.6890
            18  C2b C    39.3858  -25.9884
            19  C2b C    40.6002  -26.6890
            20  C2b C    41.8147  -25.9884
            21  C2c C    43.0290  -26.6890
            22  C2b C    44.2434  -25.9884
            23  C2b C    45.4578  -26.6890
            24  C1b C    46.6722  -25.9884
            25  C1d C    47.8867  -26.6890
            26  C1a C    49.0544  -25.9884
            27  C1a C    22.3841  -24.5872
            28  C1a C    27.2418  -24.5872
            29  C1a C    38.1714  -28.0904
            30  C1a C    43.0290  -28.0904
            31  O1a O    47.8867  -28.0904
            32  C1z C    17.5255  -25.9825
            33  C1x C    16.3103  -26.6793
            34  C1x C    16.3061  -28.0802
            35  C1x C    17.5215  -28.7867
            36  C2y C    18.7368  -28.0899
            37  C1a C    18.5061  -25.0019
            38  C1a C    16.5449  -25.0019
            39  C1a C    19.9472  -28.7936
            40  C1a C    33.3082  -28.0838
            41  C1a C    49.2390  -27.0513
BOND        41
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26    4  27 1
            27    8  28 1
            28   17  29 1
            29   21  30 1
            30   25  31 1
            31    1  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36    1  36 2
            37   32  37 1
            38   32  38 1
            39   36  39 1
            40   13  40 1
            41   25  41 1


entry: C15861
name: --- - 1'-Hydroxy-gamma-carotene glucoside
formula: C46H68O6
kcf:
ATOM        52
            1   C2y C    15.4000  -20.0200
            2   C2b C    16.5900  -19.3200
            3   C2b C    17.7800  -20.0200
            4   C2c C    19.0400  -19.3200
            5   C2b C    20.2300  -20.0200
            6   C2b C    21.4200  -19.3200
            7   C2b C    22.6800  -20.0200
            8   C2c C    23.8700  -19.3200
            9   C2b C    25.1300  -20.0200
            10  C2b C    26.3200  -19.3200
            11  C2b C    27.5100  -20.0200
            12  C2b C    28.7700  -19.3200
            13  C2c C    29.9600  -20.0200
            14  C2b C    31.1500  -19.3200
            15  C2b C    32.4100  -20.0200
            16  C2b C    33.6000  -19.3200
            17  C2c C    34.7900  -20.0200
            18  C2b C    36.0500  -19.3200
            19  C2b C    37.2400  -20.0200
            20  C2b C    38.4300  -19.3200
            21  C2c C    39.6900  -20.0200
            22  C1b C    40.8800  -19.3200
            23  C1b C    42.0700  -20.0200
            24  C1b C    43.3300  -19.3200
            25  C1d C    44.5200  -20.0200
            26  C1a C    45.7100  -19.3200
            27  C1a C    19.0400  -17.9200
            28  C1a C    23.8700  -17.9200
            29  C1a C    34.7900  -21.4200
            30  C1a C    39.6900  -21.4200
            31  O2a O    44.5200  -21.4200
            32  C1z C    14.1400  -19.3200
            33  C1x C    12.9500  -20.0200
            34  C1x C    12.9500  -21.4200
            35  C1x C    14.1400  -22.1200
            36  C2y C    15.4000  -21.4200
            37  C1a C    15.1200  -18.3400
            38  C1a C    13.1600  -18.3400
            39  C1a C    16.5900  -22.1200
            40  C1a C    29.9600  -21.4200
            41  C1a C    45.8500  -20.3700
            42  C1y C    44.5282  -22.8006
            43  O2x O    43.3859  -23.4818
            44  C1y C    43.3942  -24.8624
            45  C1y C    44.6407  -25.5860
            46  C1y C    45.7830  -24.9049
            47  C1y C    45.7389  -23.4642
            48  C1b C    42.1316  -25.6152
            49  O1a O    42.1757  -27.0559
            50  O1a O    44.6490  -26.9666
            51  O1a O    46.9937  -25.5684
            52  O1a O    47.0015  -22.7113
BOND        53
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26    4  27 1
            27    8  28 1
            28   17  29 1
            29   21  30 1
            30   25  31 1
            31    1  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36    1  36 2
            37   32  37 1
            38   32  38 1
            39   36  39 1
            40   13  40 1
            41   25  41 1
            42   42  31 1 #Up
            43   42  43 1
            44   43  44 1
            45   44  45 1
            46   45  46 1
            47   46  47 1
            48   42  47 1
            49   44  48 1 #Up
            50   48  49 1
            51   45  50 1 #Down
            52   46  51 1 #Up
            53   47  52 1 #Down


entry: C15867
name: --- - 3,4-Dehydrolycopene - 3,4-Didehydrolycopene
formula: C40H54
kcf:
ATOM        40
            1   C1a C    12.3674  -20.4928
            2   C2c C    13.5810  -19.7926
            3   C2b C    14.7947  -20.4928
            4   C1b C    16.0085  -19.7926
            5   C1b C    17.2221  -20.4928
            6   C2c C    18.4358  -19.7926
            7   C2b C    19.6495  -20.4928
            8   C2b C    20.8632  -19.7926
            9   C2b C    22.0769  -20.4928
            10  C2c C    23.2906  -19.7926
            11  C2b C    24.5043  -20.4928
            12  C2b C    25.7179  -19.7926
            13  C2b C    26.9317  -20.4928
            14  C2c C    28.1454  -19.7926
            15  C2b C    29.3590  -20.4928
            16  C2b C    30.5728  -19.7926
            17  C2b C    31.7864  -20.4928
            18  C2b C    33.0001  -19.7926
            19  C2c C    34.2138  -20.4928
            20  C2b C    35.4275  -19.7926
            21  C2b C    36.6412  -20.4928
            22  C2b C    37.8549  -19.7926
            23  C2c C    39.0686  -20.4928
            24  C2b C    40.2822  -19.7926
            25  C2b C    41.4960  -20.4928
            26  C2b C    42.7097  -19.7926
            27  C2c C    43.9233  -20.4928
            28  C2b C    45.0904  -19.7926
            29  C2b C    46.3040  -20.4928
            30  C2b C    47.5178  -19.7926
            31  C2c C    48.7315  -20.4928
            32  C1a C    49.9451  -19.7926
            33  C1a C    13.5810  -18.3922
            34  C1a C    18.4358  -18.3922
            35  C1a C    23.2906  -18.3922
            36  C1a C    28.1454  -18.3922
            37  C1a C    34.2138  -21.8932
            38  C1a C    39.0686  -21.8932
            39  C1a C    43.9233  -21.8932
            40  C1a C    48.7315  -21.8932
BOND        39
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1


entry: C15870
name: --- - Rhodopin - 1-Hydroxylycopene
formula: C40H58O
kcf:
ATOM        41
            1   C1a C    12.3675  -20.4929
            2   C1d C    13.5811  -19.7927
            3   C1b C    14.7948  -20.4929
            4   C1b C    16.0086  -19.7927
            5   C1b C    17.2222  -20.4929
            6   C2c C    18.4359  -19.7927
            7   C2b C    19.6496  -20.4929
            8   C2b C    20.8633  -19.7927
            9   C2b C    22.0770  -20.4929
            10  C2c C    23.2907  -19.7927
            11  C2b C    24.5044  -20.4929
            12  C2b C    25.7180  -19.7927
            13  C2b C    26.9318  -20.4929
            14  C2c C    28.1455  -19.7927
            15  C2b C    29.3592  -20.4929
            16  C2b C    30.5730  -19.7927
            17  C2b C    31.7866  -20.4929
            18  C2b C    33.0003  -19.7927
            19  C2c C    34.2140  -20.4929
            20  C2b C    35.4277  -19.7927
            21  C2b C    36.6414  -20.4929
            22  C2b C    37.8551  -19.7927
            23  C2c C    39.0688  -20.4929
            24  C2b C    40.2824  -19.7927
            25  C2b C    41.4962  -20.4929
            26  C2b C    42.7099  -19.7927
            27  C2c C    43.9235  -20.4929
            28  C1b C    45.0906  -19.7927
            29  C1b C    46.3042  -20.4929
            30  C2b C    47.5180  -19.7927
            31  C2c C    48.7318  -20.4929
            32  C1a C    49.9454  -19.7927
            33  O1a O    13.5811  -18.3923
            34  C1a C    18.4359  -18.3923
            35  C1a C    23.2907  -18.3923
            36  C1a C    28.1455  -18.3923
            37  C1a C    34.2140  -21.8933
            38  C1a C    39.0688  -21.8933
            39  C1a C    43.9235  -21.8933
            40  C1a C    48.7318  -21.8933
            41  C1a C    12.3687  -19.0927
BOND        40
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1


entry: C15874
name: --- - 3,4-Dehydrorhodopin - 1-Hydroxy-3,4-didehydrolycopene
formula: C40H56O
kcf:
ATOM        41
            1   C1a C    12.3675  -20.4929
            2   C1d C    13.5811  -19.7927
            3   C1b C    14.7948  -20.4929
            4   C2b C    16.0086  -19.7927
            5   C2b C    17.2222  -20.4929
            6   C2c C    18.4359  -19.7927
            7   C2b C    19.6496  -20.4929
            8   C2b C    20.8633  -19.7927
            9   C2b C    22.0770  -20.4929
            10  C2c C    23.2908  -19.7927
            11  C2b C    24.5045  -20.4929
            12  C2b C    25.7181  -19.7927
            13  C2b C    26.9319  -20.4929
            14  C2c C    28.1456  -19.7927
            15  C2b C    29.3593  -20.4929
            16  C2b C    30.5731  -19.7927
            17  C2b C    31.7867  -20.4929
            18  C2b C    33.0004  -19.7927
            19  C2c C    34.2141  -20.4929
            20  C2b C    35.4278  -19.7927
            21  C2b C    36.6415  -20.4929
            22  C2b C    37.8552  -19.7927
            23  C2c C    39.0689  -20.4929
            24  C2b C    40.2825  -19.7927
            25  C2b C    41.4963  -20.4929
            26  C2b C    42.7100  -19.7927
            27  C2c C    43.9236  -20.4929
            28  C1b C    45.0907  -19.7927
            29  C1b C    46.3043  -20.4929
            30  C2b C    47.5181  -19.7927
            31  C2c C    48.7319  -20.4929
            32  C1a C    49.9455  -19.7927
            33  O1a O    13.5811  -18.3923
            34  C1a C    18.4359  -18.3923
            35  C1a C    23.2908  -18.3923
            36  C1a C    28.1456  -18.3923
            37  C1a C    34.2141  -21.8933
            38  C1a C    39.0689  -21.8933
            39  C1a C    43.9236  -21.8933
            40  C1a C    48.7319  -21.8933
            41  C1a C    12.3687  -19.0927
BOND        40
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1


entry: C15877
name: --- - Anhydrorhodovibrin
formula: C41H58O
kcf:
ATOM        42
            1   C1a C    12.3675  -20.4929
            2   C1d C    13.5811  -19.7927
            3   C1b C    14.7948  -20.4929
            4   C2b C    16.0086  -19.7927
            5   C2b C    17.2222  -20.4929
            6   C2c C    18.4359  -19.7927
            7   C2b C    19.6496  -20.4929
            8   C2b C    20.8633  -19.7927
            9   C2b C    22.0770  -20.4929
            10  C2c C    23.2908  -19.7927
            11  C2b C    24.5045  -20.4929
            12  C2b C    25.7181  -19.7927
            13  C2b C    26.9319  -20.4929
            14  C2c C    28.1456  -19.7927
            15  C2b C    29.3593  -20.4929
            16  C2b C    30.5731  -19.7927
            17  C2b C    31.7867  -20.4929
            18  C2b C    33.0004  -19.7927
            19  C2c C    34.2141  -20.4929
            20  C2b C    35.4278  -19.7927
            21  C2b C    36.6415  -20.4929
            22  C2b C    37.8552  -19.7927
            23  C2c C    39.0689  -20.4929
            24  C2b C    40.2825  -19.7927
            25  C2b C    41.4963  -20.4929
            26  C2b C    42.7100  -19.7927
            27  C2c C    43.9236  -20.4929
            28  C1b C    45.0907  -19.7927
            29  C1b C    46.3043  -20.4929
            30  C2b C    47.5181  -19.7927
            31  C2c C    48.7319  -20.4929
            32  C1a C    49.9455  -19.7927
            33  O2a O    13.5811  -18.3923
            34  C1a C    18.4359  -18.3923
            35  C1a C    23.2908  -18.3923
            36  C1a C    28.1456  -18.3923
            37  C1a C    34.2141  -21.8933
            38  C1a C    39.0689  -21.8933
            39  C1a C    43.9236  -21.8933
            40  C1a C    48.7319  -21.8933
            41  C1a C    12.3687  -19.0927
            42  C1a C    12.3687  -17.6923
BOND        41
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1
            41   33  42 1


entry: C15878
name: --- - Rhodovibrin
formula: C41H60O2
kcf:
ATOM        43
            1   C1a C    12.3675  -20.8429
            2   C1d C    13.5811  -20.1427
            3   C1b C    14.7948  -20.8429
            4   C2b C    16.0086  -20.1427
            5   C2b C    17.2222  -20.8429
            6   C2c C    18.4359  -20.1427
            7   C2b C    19.6496  -20.8429
            8   C2b C    20.8633  -20.1427
            9   C2b C    22.0770  -20.8429
            10  C2c C    23.2908  -20.1427
            11  C2b C    24.5045  -20.8429
            12  C2b C    25.7181  -20.1427
            13  C2b C    26.9319  -20.8429
            14  C2c C    28.1456  -20.1427
            15  C2b C    29.3593  -20.8429
            16  C2b C    30.5731  -20.1427
            17  C2b C    31.7867  -20.8429
            18  C2b C    33.0004  -20.1427
            19  C2c C    34.2141  -20.8429
            20  C2b C    35.4278  -20.1427
            21  C2b C    36.6415  -20.8429
            22  C2b C    37.8552  -20.1427
            23  C2c C    39.0689  -20.8429
            24  C2b C    40.2825  -20.1427
            25  C2b C    41.4963  -20.8429
            26  C2b C    42.7100  -20.1427
            27  C2c C    43.9236  -20.8429
            28  C1b C    45.0908  -20.1427
            29  C1b C    46.3044  -20.8429
            30  C1b C    47.5182  -20.1427
            31  C1d C    48.7320  -20.8429
            32  C1a C    49.9456  -20.1427
            33  O2a O    13.5811  -18.7423
            34  C1a C    18.4359  -18.7423
            35  C1a C    23.2908  -18.7423
            36  C1a C    28.1456  -18.7423
            37  C1a C    34.2141  -22.2433
            38  C1a C    39.0689  -22.2433
            39  C1a C    43.9236  -22.2433
            40  O1a O    48.7320  -22.2433
            41  C1a C    12.3687  -19.4427
            42  C1a C    12.3687  -18.0423
            43  C1a C    50.0843  -21.2053
BOND        42
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1
            41   33  42 1
            42   31  43 1


entry: C15879
name: --- - Monodemethylspirilloxanthin - Hydroxyspirilloxanthin
formula: C41H58O2
kcf:
ATOM        43
            1   C1a C    12.2975  -20.8429
            2   C1d C    13.5111  -20.1427
            3   C1b C    14.7248  -20.8429
            4   C2b C    15.9386  -20.1427
            5   C2b C    17.1522  -20.8429
            6   C2c C    18.3659  -20.1427
            7   C2b C    19.5796  -20.8429
            8   C2b C    20.7933  -20.1427
            9   C2b C    22.0070  -20.8429
            10  C2c C    23.2208  -20.1427
            11  C2b C    24.4345  -20.8429
            12  C2b C    25.6481  -20.1427
            13  C2b C    26.8619  -20.8429
            14  C2c C    28.0756  -20.1427
            15  C2b C    29.2893  -20.8429
            16  C2b C    30.5031  -20.1427
            17  C2b C    31.7167  -20.8429
            18  C2b C    32.9304  -20.1427
            19  C2c C    34.1441  -20.8429
            20  C2b C    35.3578  -20.1427
            21  C2b C    36.5715  -20.8429
            22  C2b C    37.7852  -20.1427
            23  C2c C    38.9989  -20.8429
            24  C2b C    40.2125  -20.1427
            25  C2b C    41.4263  -20.8429
            26  C2b C    42.6400  -20.1427
            27  C2c C    43.8536  -20.8429
            28  C2b C    45.0208  -20.1427
            29  C2b C    46.2344  -20.8429
            30  C1b C    47.4482  -20.1427
            31  C1d C    48.6620  -20.8429
            32  C1a C    49.8756  -20.1427
            33  O2a O    13.5111  -18.7423
            34  C1a C    18.3659  -18.7423
            35  C1a C    23.2208  -18.7423
            36  C1a C    28.0756  -18.7423
            37  C1a C    34.1441  -22.2433
            38  C1a C    38.9989  -22.2433
            39  C1a C    43.8536  -22.2433
            40  O1a O    48.6620  -22.2433
            41  C1a C    12.2987  -19.4427
            42  C1a C    12.2987  -18.0423
            43  C1a C    50.0143  -21.2053
BOND        42
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1
            41   33  42 1
            42   31  43 1


entry: C15881
name: --- - Spirilloxanthin
formula: C42H60O2
kcf:
ATOM        44
            1   C1a C    12.2975  -20.8429
            2   C1d C    13.5111  -20.1427
            3   C1b C    14.7248  -20.8429
            4   C2b C    15.9386  -20.1427
            5   C2b C    17.1522  -20.8429
            6   C2c C    18.3659  -20.1427
            7   C2b C    19.5796  -20.8429
            8   C2b C    20.7933  -20.1427
            9   C2b C    22.0070  -20.8429
            10  C2c C    23.2208  -20.1427
            11  C2b C    24.4345  -20.8429
            12  C2b C    25.6481  -20.1427
            13  C2b C    26.8619  -20.8429
            14  C2c C    28.0756  -20.1427
            15  C2b C    29.2893  -20.8429
            16  C2b C    30.5031  -20.1427
            17  C2b C    31.7167  -20.8429
            18  C2b C    32.9304  -20.1427
            19  C2c C    34.1441  -20.8429
            20  C2b C    35.3578  -20.1427
            21  C2b C    36.5715  -20.8429
            22  C2b C    37.7852  -20.1427
            23  C2c C    38.9989  -20.8429
            24  C2b C    40.2125  -20.1427
            25  C2b C    41.4263  -20.8429
            26  C2b C    42.6400  -20.1427
            27  C2c C    43.8536  -20.8429
            28  C2b C    45.0208  -20.1427
            29  C2b C    46.2344  -20.8429
            30  C1b C    47.4482  -20.1427
            31  C1d C    48.6620  -20.8429
            32  C1a C    49.8756  -20.1427
            33  O2a O    13.5111  -18.7423
            34  C1a C    18.3659  -18.7423
            35  C1a C    23.2208  -18.7423
            36  C1a C    28.0756  -18.7423
            37  C1a C    34.1441  -22.2433
            38  C1a C    38.9989  -22.2433
            39  C1a C    43.8536  -22.2433
            40  O2a O    48.6620  -22.2433
            41  C1a C    12.2987  -19.4427
            42  C1a C    12.2987  -18.0423
            43  C1a C    50.0143  -21.2053
            44  C1a C    49.8744  -22.9433
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1
            41   33  42 1
            42   31  43 1
            43   40  44 1


entry: C15882
name: --- - 2-Methyl-6-phytylquinol - 2-Methyl-6-phytyl-1,4-hydroquinone
formula: C27H46O2
kcf:
ATOM        29
            1   C1b C    18.5028  -16.8984
            2   C1b C    19.6958  -16.2587
            3   C1b C    20.9195  -16.9721
            4   C1c C    22.1618  -16.3326
            5   C1b C    23.3733  -17.0581
            6   C1a C    22.2048  -14.9734
            7   C1b C    24.6033  -16.3326
            8   C1b C    25.7901  -17.0581
            9   C1c C    27.0323  -16.3694
            10  C1b C    28.2313  -17.1258
            11  C1a C    27.0323  -15.0166
            12  C1b C    29.4490  -16.4432
            13  C1b C    30.6359  -17.1935
            14  C1c C    31.8659  -16.4432
            15  C1a C    31.8659  -15.0903
            16  C1a C    33.0651  -17.1935
            17  C2c C    17.2676  -16.1700
            18  C2b C    16.0551  -16.8700
            19  C1b C    14.8427  -16.1700
            20  C8y C    13.6303  -16.8700
            21  C8y C    12.4178  -16.1700
            22  C8y C    11.2054  -16.8700
            23  C8x C    11.2054  -18.2700
            24  C8y C    12.4178  -18.9700
            25  C8x C    13.6303  -18.2700
            26  O1a O    12.4178  -14.7703
            27  C1a C     9.9889  -16.1677
            28  O1a O    12.4178  -20.3697
            29  C1a C    17.2740  -14.7701
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 1
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 1
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 1
            16    1  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   20  25 1
            26   21  26 1
            27   22  27 1
            28   24  28 1
            29   17  29 1


entry: C15883
name: --- - 2,3-Dimethyl-5-phytylquinol - 2,3-Dimethyl-5-phytyl-1,4-hydroquinone
formula: C28H48O2
kcf:
ATOM        30
            1   C1b C    19.1100  -15.4700
            2   C1b C    20.3000  -14.8400
            3   C1b C    21.5600  -15.5400
            4   C1c C    22.8200  -14.9100
            5   C1b C    24.0100  -15.6800
            6   C1a C    22.8200  -13.5800
            7   C1b C    25.2700  -14.9100
            8   C1b C    26.3900  -15.6800
            9   C1c C    27.6500  -14.9800
            10  C1b C    28.8400  -15.7500
            11  C1a C    27.6500  -13.6500
            12  C1b C    30.1000  -15.0500
            13  C1b C    31.2900  -15.8200
            14  C1c C    32.4800  -15.0500
            15  C1a C    32.4800  -13.7200
            16  C1a C    33.6700  -15.8200
            17  C2c C    17.9200  -14.7700
            18  C2b C    16.6600  -15.4700
            19  C1b C    15.4700  -14.7700
            20  C8y C    14.2800  -15.4700
            21  C8y C    13.0200  -14.7700
            22  C8y C    11.8300  -15.4700
            23  C8y C    11.8300  -16.8700
            24  C8y C    13.0200  -17.5700
            25  C8x C    14.2800  -16.8700
            26  O1a O    13.0200  -13.3700
            27  C1a C    10.6400  -14.7700
            28  O1a O    13.0200  -18.9700
            29  C1a C    17.9200  -13.3700
            30  C1a C    10.6147  -17.5651
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 1
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 1
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 1
            16    1  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   20  25 1
            26   21  26 1
            27   22  27 1
            28   24  28 1
            29   17  29 1
            30   23  30 1


entry: C15884
name: --- - 2-Ketospirilloxanthin
formula: C42H58O3
kcf:
ATOM        45
            1   C1a C    12.2975  -20.4929
            2   C1d C    13.5111  -19.7927
            3   C5a C    14.7248  -20.4929
            4   C2b C    15.9386  -19.7927
            5   C2b C    17.1522  -20.4929
            6   C2c C    18.3659  -19.7927
            7   C2b C    19.5796  -20.4929
            8   C2b C    20.7933  -19.7927
            9   C2b C    22.0070  -20.4929
            10  C2c C    23.2208  -19.7927
            11  C2b C    24.4345  -20.4929
            12  C2b C    25.6481  -19.7927
            13  C2b C    26.8619  -20.4929
            14  C2c C    28.0756  -19.7927
            15  C2b C    29.2893  -20.4929
            16  C2b C    30.5031  -19.7927
            17  C2b C    31.7167  -20.4929
            18  C2b C    32.9304  -19.7927
            19  C2c C    34.1441  -20.4929
            20  C2b C    35.3578  -19.7927
            21  C2b C    36.5715  -20.4929
            22  C2b C    37.7852  -19.7927
            23  C2c C    38.9989  -20.4929
            24  C2b C    40.2125  -19.7927
            25  C2b C    41.4263  -20.4929
            26  C2b C    42.6400  -19.7927
            27  C2c C    43.8536  -20.4929
            28  C2b C    45.0208  -19.7927
            29  C2b C    46.2344  -20.4929
            30  C1b C    47.4482  -19.7927
            31  C1d C    48.6620  -20.4929
            32  C1a C    49.8756  -19.7927
            33  O2a O    13.5111  -18.3923
            34  C1a C    18.3659  -18.3923
            35  C1a C    23.2208  -18.3923
            36  C1a C    28.0756  -18.3923
            37  C1a C    34.1441  -21.8933
            38  C1a C    38.9989  -21.8933
            39  C1a C    43.8536  -21.8933
            40  O2a O    48.6620  -21.8933
            41  C1a C    12.2987  -19.0927
            42  C1a C    12.2987  -17.6923
            43  C1a C    50.0143  -20.8553
            44  C1a C    49.8744  -22.5933
            45  O5a O    14.7251  -21.9098
BOND        44
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1
            41   33  42 1
            42   31  43 1
            43   40  44 1
            44    3  45 2


entry: C15885
name: --- - 2,2'-Diketospirilloxanthin
formula: C42H56O4
kcf:
ATOM        46
            1   C1a C    12.2941  -20.4873
            2   C1d C    13.5074  -19.7873
            3   C5a C    14.7208  -20.4873
            4   C2b C    15.9342  -19.7873
            5   C2b C    17.1475  -20.4873
            6   C2c C    18.3609  -19.7873
            7   C2b C    19.5742  -20.4873
            8   C2b C    20.7876  -19.7873
            9   C2b C    22.0010  -20.4873
            10  C2c C    23.2144  -19.7873
            11  C2b C    24.4278  -20.4873
            12  C2b C    25.6411  -19.7873
            13  C2b C    26.8545  -20.4873
            14  C2c C    28.0679  -19.7873
            15  C2b C    29.2813  -20.4873
            16  C2b C    30.4947  -19.7873
            17  C2b C    31.7080  -20.4873
            18  C2b C    32.9214  -19.7873
            19  C2c C    34.1347  -20.4873
            20  C2b C    35.3481  -19.7873
            21  C2b C    36.5615  -20.4873
            22  C2b C    37.7748  -19.7873
            23  C2c C    38.9882  -20.4873
            24  C2b C    40.2015  -19.7873
            25  C2b C    41.4149  -20.4873
            26  C2b C    42.6283  -19.7873
            27  C2c C    43.8416  -20.4873
            28  C2b C    45.0084  -19.7873
            29  C2b C    46.2217  -20.4873
            30  C5a C    47.4352  -19.7873
            31  C1d C    48.6486  -20.4873
            32  C1a C    49.8619  -19.7873
            33  O2a O    13.5074  -18.3873
            34  C1a C    18.3609  -18.3873
            35  C1a C    23.2144  -18.3873
            36  C1a C    28.0679  -18.3873
            37  C1a C    34.1347  -21.8873
            38  C1a C    38.9882  -21.8873
            39  C1a C    43.8416  -21.8873
            40  O2a O    48.6486  -21.8873
            41  C1a C    12.2953  -19.0875
            42  C1a C    12.2953  -17.6874
            43  C1a C    50.0006  -20.8496
            44  C1a C    49.8607  -22.5871
            45  O5a O    14.7211  -21.9038
            46  O5a O    47.4352  -18.3873
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1
            41   33  42 1
            42   31  43 1
            43   40  44 1
            44    3  45 2
            45   30  46 2


entry: C15886
name: --- - 3,4-Dihydroanhydrorhodovibrin
formula: C41H60O
kcf:
ATOM        42
            1   C1a C    12.3675  -20.4929
            2   C1d C    13.5811  -19.7927
            3   C1b C    14.7948  -20.4929
            4   C1b C    16.0086  -19.7927
            5   C1b C    17.2222  -20.4929
            6   C2c C    18.4359  -19.7927
            7   C2b C    19.6496  -20.4929
            8   C2b C    20.8633  -19.7927
            9   C2b C    22.0770  -20.4929
            10  C2c C    23.2907  -19.7927
            11  C2b C    24.5044  -20.4929
            12  C2b C    25.7180  -19.7927
            13  C2b C    26.9318  -20.4929
            14  C2c C    28.1455  -19.7927
            15  C2b C    29.3592  -20.4929
            16  C2b C    30.5730  -19.7927
            17  C2b C    31.7866  -20.4929
            18  C2b C    33.0003  -19.7927
            19  C2c C    34.2140  -20.4929
            20  C2b C    35.4277  -19.7927
            21  C2b C    36.6414  -20.4929
            22  C2b C    37.8551  -19.7927
            23  C2c C    39.0688  -20.4929
            24  C2b C    40.2824  -19.7927
            25  C2b C    41.4962  -20.4929
            26  C2b C    42.7099  -19.7927
            27  C2c C    43.9235  -20.4929
            28  C1b C    45.0906  -19.7927
            29  C1b C    46.3042  -20.4929
            30  C2b C    47.5180  -19.7927
            31  C2c C    48.7318  -20.4929
            32  C1a C    49.9454  -19.7927
            33  O2a O    13.5811  -18.3923
            34  C1a C    18.4359  -18.3923
            35  C1a C    23.2907  -18.3923
            36  C1a C    28.1455  -18.3923
            37  C1a C    34.2140  -21.8933
            38  C1a C    39.0688  -21.8933
            39  C1a C    43.9235  -21.8933
            40  C1a C    48.7318  -21.8933
            41  C1a C    12.3687  -19.0927
            42  C1a C    12.3686  -17.6923
BOND        41
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1
            41   33  42 1


entry: C15887
name: --- - 3',4'-Dihydrorhodovibrin
formula: C41H62O2
kcf:
ATOM        43
            1   C1a C    12.3675  -20.8429
            2   C1d C    13.5811  -20.1427
            3   C1b C    14.7948  -20.8429
            4   C1b C    16.0086  -20.1427
            5   C1b C    17.2222  -20.8429
            6   C2c C    18.4359  -20.1427
            7   C2b C    19.6496  -20.8429
            8   C2b C    20.8633  -20.1427
            9   C2b C    22.0770  -20.8429
            10  C2c C    23.2907  -20.1427
            11  C2b C    24.5044  -20.8429
            12  C2b C    25.7180  -20.1427
            13  C2b C    26.9318  -20.8429
            14  C2c C    28.1455  -20.1427
            15  C2b C    29.3592  -20.8429
            16  C2b C    30.5730  -20.1427
            17  C2b C    31.7866  -20.8429
            18  C2b C    33.0003  -20.1427
            19  C2c C    34.2140  -20.8429
            20  C2b C    35.4277  -20.1427
            21  C2b C    36.6414  -20.8429
            22  C2b C    37.8551  -20.1427
            23  C2c C    39.0688  -20.8429
            24  C2b C    40.2824  -20.1427
            25  C2b C    41.4962  -20.8429
            26  C2b C    42.7099  -20.1427
            27  C2c C    43.9235  -20.8429
            28  C1b C    45.0907  -20.1427
            29  C1b C    46.3043  -20.8429
            30  C1b C    47.5181  -20.1427
            31  C1d C    48.7319  -20.8429
            32  C1a C    49.9455  -20.1427
            33  O2a O    13.5811  -18.7423
            34  C1a C    18.4359  -18.7423
            35  C1a C    23.2907  -18.7423
            36  C1a C    28.1455  -18.7423
            37  C1a C    34.2140  -22.2433
            38  C1a C    39.0688  -22.2433
            39  C1a C    43.9235  -22.2433
            40  O1a O    48.7319  -22.2433
            41  C1a C    12.3687  -19.4427
            42  C1a C    12.3686  -18.0423
            43  C1a C    50.0842  -21.2053
BOND        42
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1
            41   33  42 1
            42   31  43 1


entry: C15888
name: --- - 3,4,3',4'-Tetrahydrospirilloxanthin
formula: C42H64O2
kcf:
ATOM        44
            1   C1a C    12.2975  -20.8429
            2   C1d C    13.5111  -20.1427
            3   C1b C    14.7248  -20.8429
            4   C1b C    15.9386  -20.1427
            5   C1b C    17.1522  -20.8429
            6   C2c C    18.3659  -20.1427
            7   C2b C    19.5796  -20.8429
            8   C2b C    20.7933  -20.1427
            9   C2b C    22.0070  -20.8429
            10  C2c C    23.2207  -20.1427
            11  C2b C    24.4344  -20.8429
            12  C2b C    25.6480  -20.1427
            13  C2b C    26.8618  -20.8429
            14  C2c C    28.0755  -20.1427
            15  C2b C    29.2892  -20.8429
            16  C2b C    30.5030  -20.1427
            17  C2b C    31.7166  -20.8429
            18  C2b C    32.9303  -20.1427
            19  C2c C    34.1440  -20.8429
            20  C2b C    35.3577  -20.1427
            21  C2b C    36.5714  -20.8429
            22  C2b C    37.7851  -20.1427
            23  C2c C    38.9988  -20.8429
            24  C2b C    40.2124  -20.1427
            25  C2b C    41.4262  -20.8429
            26  C2b C    42.6399  -20.1427
            27  C2c C    43.8535  -20.8429
            28  C1b C    45.0207  -20.1427
            29  C1b C    46.2343  -20.8429
            30  C1b C    47.4481  -20.1427
            31  C1d C    48.6619  -20.8429
            32  C1a C    49.8755  -20.1427
            33  O2a O    13.5111  -18.7423
            34  C1a C    18.3659  -18.7423
            35  C1a C    23.2207  -18.7423
            36  C1a C    28.0755  -18.7423
            37  C1a C    34.1440  -22.2433
            38  C1a C    38.9988  -22.2433
            39  C1a C    43.8535  -22.2433
            40  O2a O    48.6619  -22.2433
            41  C1a C    12.2987  -19.4427
            42  C1a C    12.2986  -18.0423
            43  C1a C    50.0142  -21.2053
            44  C1a C    49.8743  -22.9433
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  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 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39   31  40 1
            40    2  41 1
            41   33  42 1
            42   31  43 1
            43   40  44 1


