# drugs

entry: D03248
name: --- - Clorgiline - Clorgyline
formula: C13H15Cl2NO
remark: Same as: C11685
kcf:
ATOM        17
            1   C1b C    25.5302  -19.1297
            2   N1c N    25.5302  -20.5361
            3   C1b C    26.7382  -21.2247
            4   C1a C    24.3163  -21.2306
            5   C3b C    27.9519  -20.5244
            6   C3a C    29.1162  -19.7510
            7   C1b C    24.3251  -18.4176
            8   C8y C    20.6990  -19.1072
            9   O2a O    21.9070  -18.4129
            10  C8x C    20.6990  -20.5135
            11  C8y C    19.4853  -18.4070
            12  C8x C    19.4853  -21.2138
            13  C8x C    18.2656  -19.1072
            14  C8y C    18.2656  -20.5135
            15  C1b C    23.1146  -19.1133
            16  X   Cl   19.4866  -17.0108
            17  X   Cl   17.0573  -21.2131
BOND        17
            1     2   4 1
            2     3   5 1
            3     5   6 3
            4     8   9 1
            5     8  10 1
            6     8  11 2
            7    10  12 2
            8    11  13 1
            9    12  14 1
            10   13  14 2
            11    7   1 1
            12    9  15 1
            13   15   7 1
            14    1   2 1
            15   11  16 1
            16    2   3 1
            17   14  17 1


entry: D03249
name: --- - Bisoctrizole (USAN)
formula: C41H50N6O2
activity: UVA absorber [intended for use as a topicl sunscreen]
kcf:
ATOM        49
            1   C8y C    17.5811  -16.1159
            2   C8x C    17.5811  -17.5171
            3   C8y C    18.7946  -18.2178
            4   C8x C    20.0081  -17.5171
            5   C8y C    20.0081  -16.1159
            6   C8y C    18.7946  -15.4153
            7   C1b C    21.2403  -15.4043
            8   C8y C    22.4466  -16.1006
            9   C8x C    22.4470  -17.5167
            10  C8y C    23.6607  -18.2171
            11  C8x C    24.8741  -17.5160
            12  C8y C    24.8736  -16.0998
            13  C8y C    23.6599  -15.3995
            14  C1d C    18.7946  -19.6188
            15  C1d C    23.6611  -19.6189
            16  O1a O    18.7946  -14.0142
            17  O1a O    23.6597  -14.0141
            18  N4y N    26.0755  -15.4056
            19  N4y N    16.3676  -15.4153
            20  N5x N    16.2214  -14.0242
            21  C8y C    14.8532  -13.7334
            22  C8y C    14.1538  -14.9446
            23  N5x N    15.0897  -15.9842
            24  N5x N    27.3451  -15.9707
            25  C8y C    28.2749  -14.9377
            26  C8y C    27.5799  -13.7343
            27  N5x N    26.2205  -14.0234
            28  C8x C    14.1526  -12.5198
            29  C8x C    12.7514  -12.5198
            30  C8x C    12.0519  -13.7311
            31  C8x C    12.7526  -14.9446
            32  C8x C    29.6762  -14.9375
            33  C8x C    30.3766  -13.7240
            34  C8x C    29.6816  -12.5205
            35  C8x C    28.2803  -12.5207
            36  C1a C    18.7946  -21.0201
            37  C1b C    17.0209  -19.6188
            38  C1a C    20.1734  -19.6188
            39  C1a C    23.6611  -21.0202
            40  C1b C    25.4278  -19.6187
            41  C1a C    22.2753  -19.6191
            42  C1d C    15.9702  -21.5325
            43  C1d C    26.4787  -21.5324
            44  C1a C    15.2702  -22.7449
            45  C1a C    14.7622  -20.8352
            46  C1a C    17.1867  -22.2347
            47  C1a C    27.1787  -22.7448
            48  C1a C    27.6652  -20.8476
            49  C1a C    25.2402  -22.2472
BOND        54
            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     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    3  14 1
            16   10  15 1
            17    6  16 1
            18   13  17 1
            19   12  18 1
            20    1  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   19  23 1
            26   18  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   18  27 1
            31   21  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   22  31 1
            36   25  32 1
            37   32  33 2
            38   33  34 1
            39   34  35 2
            40   26  35 1
            41   14  36 1
            42   14  37 1
            43   14  38 1
            44   15  39 1
            45   15  40 1
            46   15  41 1
            47   37  42 1
            48   40  43 1
            49   42  44 1
            50   42  45 1
            51   42  46 1
            52   43  47 1
            53   43  48 1
            54   43  49 1


entry: D03252
name: --- - Bosutinib (USAN)
formula: C26H29Cl2N5O3
activity: Antineoplastic [Srckinase inhibitor]
kcf:
ATOM        36
            1   C8y C    34.0087  -20.3868
            2   C8y C    34.0087  -18.9808
            3   C8x C    35.2037  -18.2778
            4   C8y C    36.4691  -18.9808
            5   C8y C    36.4691  -20.3868
            6   C8x C    35.2037  -21.0898
            7   C8y C    37.6642  -18.2778
            8   C8y C    38.8593  -18.9808
            9   C8x C    38.8593  -20.3868
            10  N5x N    37.6642  -21.0898
            11  N1b N    37.6642  -16.8718
            12  O2a O    32.7882  -18.2827
            13  O2a O    32.7882  -21.0849
            14  C1b C    31.5947  -20.3891
            15  C8y C    38.8818  -16.1688
            16  C8x C    40.0824  -16.8622
            17  C8y C    41.3001  -16.1593
            18  C8y C    41.3003  -14.7533
            19  C8x C    40.0997  -14.0600
            20  C8y C    38.8820  -14.7628
            21  X   Cl   37.6476  -14.0498
            22  X   Cl   42.5283  -14.0444
            23  O2a O    42.5366  -16.8733
            24  C1a C    43.7386  -16.1794
            25  C1a C    31.5947  -18.9785
            26  C1b C    30.3932  -21.0762
            27  C1b C    29.2069  -20.3849
            28  N1y N    28.0018  -21.0742
            29  C1x C    26.8172  -20.3839
            30  C1x C    25.5968  -21.0820
            31  N1y N    25.5911  -22.4879
            32  C1x C    26.7757  -23.1782
            33  C1x C    27.9962  -22.4802
            34  C1a C    24.3535  -23.1959
            35  C3b C    40.0721  -18.2871
            36  N3a N    41.2846  -17.5871
BOND        39
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    7  11 1
            13    2  12 1
            14    1  13 1
            15   13  14 1
            16   11  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   20  21 1
            24   18  22 1
            25   17  23 1
            26   23  24 1
            27   12  25 1
            28   14  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   28  33 1
            37   31  34 1
            38    8  35 1
            39   35  36 3


entry: D03253
name: --- - Brecanavir (USAN)
formula: C33H41N3O10S2
activity: Treatment of HIV infections in combination with other antiretroviral agents
remark: Therapeutic category: 6250
kcf:
ATOM        48
            1   C1y C    30.5548  -16.0483
            2   N1c N    22.0687  -16.6795
            3   C1b C    23.2609  -15.9781
            4   S4a S    20.8764  -15.9781
            5   C1c C    24.5233  -16.6795
            6   C8y C    19.6140  -16.6795
            7   C1c C    25.7156  -15.9781
            8   C1b C    25.7156  -14.5755
            9   N1b N    26.9079  -16.6795
            10  C8y C    24.5233  -13.8741
            11  C7a C    28.1001  -15.9781
            12  C8x C    23.2609  -14.5755
            13  C8x C    24.5233  -12.4715
            14  O7a O    29.3625  -16.6795
            15  O7a O    28.1001  -14.5755
            16  C8x C    22.0687  -13.8741
            17  C8x C    23.2609  -11.7701
            18  C8y C    22.0687  -12.4715
            19  C8x C    19.6140  -18.0821
            20  C8x C    18.4217  -18.7835
            21  C8y C    17.2295  -18.0821
            22  C8y C    17.2295  -16.6795
            23  C8x C    18.4217  -15.9781
            24  C1b C    22.0687  -18.0821
            25  C1c C    20.8764  -18.8536
            26  O1a O    24.4532  -18.0821
            27  O3c O    21.8583  -14.9963
            28  O3c O    19.8945  -14.9963
            29  O2x O    15.8969  -16.2587
            30  C1x C    15.0553  -17.3808
            31  O2x O    15.8969  -18.5029
            32  O2a O    20.8764  -11.7701
            33  C1b C    19.6841  -12.4715
            34  C8y C    18.4919  -11.7701
            35  C8x C    18.4919  -10.3701
            36  S2x S    17.1604   -9.9375
            37  C8y C    16.3375  -11.0701
            38  N5x N    17.1604  -12.2028
            39  C1a C    14.9100  -11.0703
            40  C1a C    19.6640  -19.5536
            41  C1a C    21.5919  -20.0234
            42  C1y C    31.8979  -16.4307
            43  C1y C    32.6702  -15.2630
            44  O2x O    31.7984  -14.1676
            45  C1x C    30.4872  -14.6582
            46  C1x C    32.7697  -17.5261
            47  C1x C    34.0109  -17.0354
            48  O2x O    34.0194  -15.6368
BOND        53
            1     2   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     5   7 1
            6     7   8 1 #Down
            7     7   9 1
            8     8  10 1
            9     9  11 1
            10   10  12 2
            11   10  13 1
            12   11  14 1
            13   11  15 2
            14   12  16 1
            15   13  17 2
            16   16  18 2
            17   17  18 1
            18    6  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23    6  23 1
            24    2  24 1
            25   24  25 1
            26    5  26 1 #Down
            27    4  27 2
            28    4  28 2
            29   22  29 1
            30   29  30 1
            31   30  31 1
            32   21  31 1
            33   18  32 1
            34   32  33 1
            35   33  34 1
            36    1  14 1 #Up
            37   34  35 2
            38   35  36 1
            39   36  37 1
            40   37  38 2
            41   34  38 1
            42   37  39 1
            43   25  40 1
            44   25  41 1
            45    1  42 1
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49    1  45 1
            50   42  46 1
            51   46  47 1
            52   47  48 1
            53   43  48 1


entry: D03254
name: --- - Flufenamic acid aluminum (JAN) - Opyrin (TN)
formula: (C14H9F3NO2)3. Al
remark: Therapeutic category: 1141
kcf:
ATOM        61
            1   C8x C    19.6700  -19.4600
            2   C8y C    19.6700  -18.0600
            3   C8y C    18.4576  -17.3600
            4   C8x C    17.2451  -18.0600
            5   C8x C    17.2451  -19.4600
            6   C8x C    18.4576  -20.1600
            7   N1b N    20.8824  -17.3600
            8   C8y C    22.0779  -18.0504
            9   C8x C    22.0779  -19.4597
            10  C8x C    23.2904  -20.1597
            11  C8x C    24.5028  -19.4597
            12  C8y C    24.5028  -18.0503
            13  C8x C    23.2903  -17.3504
            14  C6a C    18.4576  -15.9602
            15  O0  O    19.6868  -15.2504 #-
            16  O6a O    17.2620  -15.2698
            17  C1d C    25.7089  -17.3540
            18  X   F    26.9214  -16.6540
            19  X   F    26.4089  -18.5664
            20  X   F    25.0089  -16.1415
            21  Z   Al   32.5500  -17.8500 #3+
            22  C8x C    19.6700  -19.4600
            23  C8y C    19.6700  -18.0600
            24  C8y C    18.4576  -17.3600
            25  C8x C    17.2451  -18.0600
            26  C8x C    17.2451  -19.4600
            27  C8x C    18.4576  -20.1600
            28  C6a C    18.4576  -15.9602
            29  O0  O    19.6868  -15.2504 #-
            30  O6a O    17.2620  -15.2698
            31  N1b N    20.8824  -17.3600
            32  C8y C    22.0779  -18.0504
            33  C8x C    22.0779  -19.4597
            34  C8x C    23.2904  -20.1597
            35  C8x C    24.5028  -19.4597
            36  C8y C    24.5028  -18.0503
            37  C8x C    23.2903  -17.3504
            38  C1d C    25.7089  -17.3540
            39  X   F    26.9214  -16.6540
            40  X   F    26.4089  -18.5664
            41  X   F    25.0089  -16.1415
            42  C8x C    19.6700  -19.4600
            43  C8y C    19.6700  -18.0600
            44  C8y C    18.4576  -17.3600
            45  C8x C    17.2451  -18.0600
            46  C8x C    17.2451  -19.4600
            47  C8x C    18.4576  -20.1600
            48  C6a C    18.4576  -15.9602
            49  O0  O    19.6868  -15.2504 #-
            50  O6a O    17.2620  -15.2698
            51  N1b N    20.8824  -17.3600
            52  C8y C    22.0779  -18.0504
            53  C8x C    22.0779  -19.4597
            54  C8x C    23.2904  -20.1597
            55  C8x C    24.5028  -19.4597
            56  C8y C    24.5028  -18.0503
            57  C8x C    23.2903  -17.3504
            58  C1d C    25.7089  -17.3540
            59  X   F    26.9214  -16.6540
            60  X   F    26.4089  -18.5664
            61  X   F    25.0089  -16.1415
BOND        63
            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     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    3  14 1
            16   14  15 1
            17   14  16 2
            18   12  17 1
            19   17  18 1
            20   17  19 1
            21   17  20 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   22  27 1
            28   23  31 1
            29   31  32 1
            30   32  33 1
            31   33  34 2
            32   34  35 1
            33   35  36 2
            34   36  37 1
            35   32  37 2
            36   24  28 1
            37   28  29 1
            38   28  30 2
            39   36  38 1
            40   38  39 1
            41   38  40 1
            42   38  41 1
            43   42  43 2
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   42  47 1
            49   43  51 1
            50   51  52 1
            51   52  53 1
            52   53  54 2
            53   54  55 1
            54   55  56 2
            55   56  57 1
            56   52  57 2
            57   44  48 1
            58   48  49 1
            59   48  50 2
            60   56  58 1
            61   58  59 1
            62   58  60 1
            63   58  61 1


entry: D03255
name: --- - Calcium hopantenate (JAN) - Hopate (TN)
formula: ((C10H18NO5)2. Ca)2. H2O
remark: Therapeutic category: 1190
kcf:
ATOM        67
            1   O0  O    35.1053   -8.9283
            2   O1a O     9.6600   -5.6000
            3   C1b C    10.8500   -4.9000
            4   C1d C    12.0400   -5.6000
            5   C1c C    13.3000   -4.9000
            6   C5a C    14.4900   -5.6000
            7   N1b N    15.6800   -4.9000
            8   C1b C    16.9400   -5.6000
            9   C1b C    18.1300   -4.9000
            10  C1b C    19.3200   -5.6000
            11  C6a C    20.5800   -4.9000
            12  O0  O    21.7700   -5.6000 #-
            13  C1a C    11.0600   -6.6500
            14  C1a C    13.0900   -6.6500
            15  O1a O    13.3000   -3.5000
            16  O5a O    14.4900   -7.0000
            17  O6a O    20.5800   -3.5000
            18  Z   Ca   22.4000   -7.0700 #2+
            19  O1a O    35.5600   -5.5300
            20  C1b C    34.3700   -4.8300
            21  C1d C    33.1100   -5.5300
            22  C1c C    31.9200   -4.8300
            23  C5a C    30.7300   -5.5300
            24  N1b N    29.4700   -4.8300
            25  C1b C    28.2800   -5.5300
            26  C1b C    27.0900   -4.8300
            27  C1b C    25.9000   -5.5300
            28  C6a C    24.6400   -4.8300
            29  O0  O    23.4500   -5.5300 #-
            30  C1a C    34.1600   -6.5800
            31  C1a C    32.1300   -6.5800
            32  O1a O    31.9200   -3.4300
            33  O5a O    30.7300   -6.9300
            34  O6a O    24.6400   -3.4300
            35  O1a O     9.6600   -5.6000
            36  C1b C    10.8500   -4.9000
            37  C1d C    12.0400   -5.6000
            38  C1c C    13.3000   -4.9000
            39  C5a C    14.4900   -5.6000
            40  N1b N    15.6800   -4.9000
            41  C1b C    16.9400   -5.6000
            42  C1b C    18.1300   -4.9000
            43  C1b C    19.3200   -5.6000
            44  C6a C    20.5800   -4.9000
            45  O0  O    21.7700   -5.6000 #-
            46  O6a O    20.5800   -3.5000
            47  O5a O    14.4900   -7.0000
            48  O1a O    13.3000   -3.5000
            49  C1a C    11.0600   -6.6500
            50  C1a C    13.0900   -6.6500
            51  Z   Ca   22.4000   -7.0700 #2+
            52  O1a O    35.5600   -5.5300
            53  C1b C    34.3700   -4.8300
            54  C1d C    33.1100   -5.5300
            55  C1c C    31.9200   -4.8300
            56  C5a C    30.7300   -5.5300
            57  N1b N    29.4700   -4.8300
            58  C1b C    28.2800   -5.5300
            59  C1b C    27.0900   -4.8300
            60  C1b C    25.9000   -5.5300
            61  C6a C    24.6400   -4.8300
            62  O0  O    23.4500   -5.5300 #-
            63  O6a O    24.6400   -3.4300
            64  O5a O    30.7300   -6.9300
            65  O1a O    31.9200   -3.4300
            66  C1a C    34.1600   -6.5800
            67  C1a C    32.1300   -6.5800
BOND        60
            1     3   4 1
            2     8   9 1
            3     9  10 1
            4     4   5 1
            5    10  11 1
            6    11  12 1
            7     5   6 1
            8     4  13 1
            9     2   3 1
            10    4  14 1
            11    6   7 1
            12    5  15 1 #Up
            13    6  16 2
            14    7   8 1
            15   11  17 2
            16   19  20 1
            17   20  21 1
            18   21  22 1
            19   22  23 1
            20   23  24 1
            21   24  25 1
            22   25  26 1
            23   26  27 1
            24   27  28 1
            25   28  29 1
            26   21  30 1
            27   21  31 1
            28   22  32 1 #Down
            29   23  33 2
            30   28  34 2
            31   36  37 1
            32   41  42 1
            33   42  43 1
            34   37  38 1
            35   43  44 1
            36   44  45 1
            37   38  39 1
            38   37  49 1
            39   35  36 1
            40   37  50 1
            41   39  40 1
            42   38  48 1 #Up
            43   39  47 2
            44   40  41 1
            45   44  46 2
            46   52  53 1
            47   53  54 1
            48   54  55 1
            49   55  56 1
            50   56  57 1
            51   57  58 1
            52   58  59 1
            53   59  60 1
            54   60  61 1
            55   61  62 1
            56   54  66 1
            57   54  67 1
            58   55  65 1 #Down
            59   56  64 2
            60   61  63 2


entry: D03256
name: --- - Valganciclovir hydrochloride (JAN/USAN) - Valcyte (TN)
formula: C14H22N6O5. HCl
activity: Antiviral
remark: Therapeutic category: 6250
kcf:
ATOM        26
            1   C8y C    30.7300  -19.5300
            2   C8y C    30.7300  -18.1300
            3   N4y N    29.4000  -19.9500
            4   N4x N    31.9200  -20.2300
            5   N5x N    29.4000  -17.7100
            6   C8y C    31.9200  -17.4300
            7   C8x C    28.5600  -18.8300
            8   C1b C    29.4000  -21.6300
            9   C8y C    33.1100  -19.5300
            10  N5x N    33.1100  -18.1300
            11  O5x O    31.9200  -16.0300
            12  O2a O    28.2800  -22.3300
            13  N1a N    34.3700  -20.2300
            14  C1c C    27.0900  -21.6300
            15  C1b C    25.9000  -22.2600
            16  O7a O    24.7100  -21.4900
            17  C7a C    23.4500  -22.1900
            18  C1c C    22.1900  -21.4200
            19  O7a O    23.4500  -23.5900
            20  C1c C    21.0000  -22.1200
            21  C1a C    19.8100  -21.3500
            22  C1a C    21.0000  -23.5900
            23  N1a N    22.1900  -20.0900
            24  C1b C    27.1214  -20.2304
            25  O1a O    25.9020  -19.4892
            26  X   Cl   39.5500  -20.3000
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 1
            9     6  10 1
            10    6  11 2
            11    8  12 1
            12    9  13 1
            13   12  14 1
            14   14  15 1
            15   15  16 1
            16    5   7 2
            17    9  10 2
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21   18  20 1
            22   20  21 1
            23   20  22 1
            24   18  23 1 #Down
            25   14  24 1
            26   24  25 1


entry: D03259
remark: Therapeutic category: 4239
name:
--- 
- Gemtuzumab ozogamicin (genetical recombination) (JAN)
- Gemtuzumab ozogamicin (USAN)
- Mylotarg (TN)

activity:
Treatment of relapsed, acute myelogenous leukemia [cytotoxic calicheamicin derivative conjugated to a humanized monoclonal antibody]


entry: D03260
name: --- - Vardenafil hydrochloride hydrate (JAN) - Levitra (TN)
formula: C23H32N6O4S. 3H2O. HCl
remark: Therapeutic category: 2590
kcf:
ATOM        38
            1   C8y C    20.3016  -19.5044
            2   C8y C    21.4944  -18.8028
            3   C8y C    20.3016  -20.9076
            4   C8x C    19.0388  -18.8028
            5   N4x N    22.6871  -19.5044
            6   N5x N    21.4944  -17.3996
            7   C8x C    19.0388  -21.6092
            8   O2a O    21.4944  -21.6092
            9   C8y C    17.8460  -19.5044
            10  N4y N    23.9500  -18.8028
            11  C8y C    22.6871  -16.6980
            12  C8x C    17.8460  -20.9076
            13  C1b C    22.6871  -20.9076
            14  S4a S    16.6533  -18.8028
            15  C8y C    23.9500  -17.3996
            16  C8y C    25.2830  -19.2238
            17  O5x O    22.6871  -15.2948
            18  C1a C    23.8798  -21.6092
            19  N1y N    15.4606  -19.5044
            20  O3c O    17.6356  -17.8206
            21  O3c O    15.6711  -17.8206
            22  C8y C    25.2830  -16.9786
            23  N5x N    26.1249  -18.1012
            24  C1b C    25.7040  -20.5568
            25  C1x C    15.4606  -20.9076
            26  C1x C    14.1977  -18.8028
            27  C1a C    25.7040  -15.6456
            28  C1b C    27.0370  -20.8374
            29  C1x C    14.1977  -21.6092
            30  C1x C    13.0050  -19.5044
            31  C1a C    27.4580  -22.1705
            32  N1y N    13.0050  -20.9076
            33  C1b C    11.8123  -21.6092
            34  C1a C    10.6195  -20.9076
            35  X   Cl   31.4575  -17.6833
            36  O0  O    31.6109  -19.7833
            37  O0  O    31.6109  -19.7833
            38  O0  O    31.6109  -19.7833
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   11  17 2
            17   13  18 1
            18   14  19 1
            19   14  20 2
            20   14  21 2
            21   15  22 2
            22   16  23 2
            23   16  24 1
            24   19  25 1
            25   19  26 1
            26   22  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30   28  31 1
            31   29  32 1
            32   32  33 1
            33    9  12 2
            34   11  15 1
            35   22  23 1
            36   30  32 1
            37   33  34 1


entry: D03262
name: --- - Kanamycin sulfate (JP15) - Kanamycin sulfate (TN) - KM
formula: C18H36N4O11. xH2SO4
remark: Therapeutic category: 2634 6169
kcf:
ATOM        38
            1   O2a O    31.7800  -16.5200
            2   C1y C    32.9700  -15.8200
            3   O2x O    34.2300  -16.5200
            4   C1y C    35.4200  -15.8200
            5   C1y C    35.4200  -14.4200
            6   C1y C    34.2300  -13.7200
            7   C1y C    32.9700  -14.4200
            8   C1b C    36.6800  -16.5200
            9   N1a N    36.6800  -17.9200
            10  O1a O    31.7800  -13.7200
            11  C1y C    31.8500  -17.9200
            12  C1y C    33.0400  -18.6200
            13  C1x C    33.0400  -20.0200
            14  C1y C    31.8500  -20.7200
            15  C1y C    30.6600  -20.0200
            16  C1y C    30.5900  -18.6200
            17  N1a N    34.2300  -17.9200
            18  N1a N    31.8500  -22.1200
            19  O1a O    29.4000  -17.9900
            20  O2a O    29.4700  -20.7900
            21  C1y C    28.2100  -21.4900
            22  C1y C    28.2100  -22.8900
            23  C1y C    27.0200  -23.5900
            24  C1y C    25.8300  -22.8900
            25  C1y C    25.8300  -21.4900
            26  O2x O    27.0200  -20.7900
            27  O1a O    29.4700  -23.5900
            28  O1a O    24.5700  -23.5900
            29  C1b C    24.5700  -20.7900
            30  N1a N    27.0200  -24.9900
            31  O1a O    23.3800  -21.4900
            32  O1a O    34.1600  -12.3200
            33  O1a O    36.6100  -13.7200
            34  O1d O    41.9300  -19.3200
            35  S4a S    43.3300  -19.3200
            36  O3c O    43.3300  -20.7200
            37  O1d O    44.7300  -19.3200
            38  O3c O    43.3300  -17.9200
BOND        39
            1    16  19 1 #Up
            2     8   9 1
            3    15  20 1 #Down
            4    11   1 1 #Down
            5    21  20 1 #Down
            6     7  10 1 #Down
            7     2   3 1
            8     3   4 1
            9     4   5 1
            10    5   6 1
            11   21  22 1
            12   22  23 1
            13   23  24 1
            14   24  25 1
            15   25  26 1
            16   26  21 1
            17    6   7 1
            18   22  27 1 #Down
            19    7   2 1
            20   24  28 1 #Down
            21   11  12 1
            22   25  29 1 #Up
            23   12  13 1
            24   23  30 1 #Up
            25   13  14 1
            26   29  31 1
            27   14  15 1
            28    6  32 1 #Up
            29   15  16 1
            30    5  33 1 #Down
            31   16  11 1
            32    2   1 1 #Down
            33   12  17 1 #Up
            34    4   8 1 #Up
            35   14  18 1 #Up
            36   34  35 1
            37   35  36 2
            38   35  37 1
            39   35  38 2


entry: D03263
name: --- - Sodium polystyrene sulfonate (JP15/USP) - Kayexalate (TN)
formula: (C8H7O3S. Na)n
activity: Ion-exchange resin [potassium]
remark: Therapeutic category: 2190
kcf:
ATOM        15
            1   C8x C     9.1700  -18.0600
            2   C8x C     9.1700  -19.4600
            3   C8y C    10.3824  -20.1600
            4   C8x C    11.5949  -19.4600
            5   C8x C    11.5949  -18.0600
            6   C8y C    10.3824  -17.3600
            7   C1b C    10.3824  -15.9602
            8   C1a C     9.1532  -15.2503
            9   Z   *    15.4280  -14.7098
            10  Z   *     5.9192  -16.7854
            11  S4a S    10.3824  -21.5598
            12  O0  O    10.3824  -22.9598 #-
            13  O3c O     8.9600  -21.5598
            14  O3c O    11.7600  -21.5598
            15  Z   Na   12.3200  -23.0300 #+
BOND        14
            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     6   7 1
            8     7   8 1
            9     7   9 1
            10    8  10 1
            11    3  11 1
            12   11  12 1
            13   11  13 2
            14   11  14 2


entry: D03264
name: --- - Mazaticol hydrochloride (JAN) - Pentona (TN)
formula: C21H27NO3S2. HCl. H2O
remark: Therapeutic category: 1169
kcf:
ATOM        29
            1   C1y C    32.4800  -20.0200
            2   N1y N    31.9200  -17.2200
            3   C1z C    33.3900  -20.6500
            4   C1x C    31.2200  -20.0200
            5   C1y C    31.9200  -18.6900
            6   C1x C    34.5100  -18.6900
            7   C1y C    30.3100  -20.5800
            8   C1x C    33.1800  -19.3900
            9   C1x C    30.6600  -19.3900
            10  O7a O    29.1900  -19.9500
            11  C7a C    28.0700  -20.5800
            12  O7a O    28.0700  -21.8400
            13  C1a C    32.6900  -21.9100
            14  C1a C    34.6500  -21.3500
            15  C1d C    26.9500  -19.9500
            16  C8y C    26.9500  -18.6200
            17  C8y C    25.8300  -20.5800
            18  O1a O    25.8300  -19.1100
            19  C8x C    28.0000  -17.9200
            20  C8x C    27.5800  -16.6600
            21  C8x C    26.3200  -16.6600
            22  S2x S    25.9000  -17.8500
            23  S2x S    24.6400  -20.0200
            24  C8x C    23.7300  -21.0000
            25  C8x C    24.4300  -22.1200
            26  C8x C    25.6900  -21.8400
            27  C1a C    31.9200  -15.7500
            28  X   Cl   38.8500  -18.7600
            29  O0  O    43.3300  -18.7600
BOND        30
            1     3  13 1
            2     3  14 1
            3     1   2 1
            4    11  15 1
            5     1   3 1
            6    15  16 1
            7     1   4 1
            8    15  17 1
            9     2   5 1
            10   15  18 1
            11    3   6 1
            12    4   7 1
            13    5   8 1
            14    5   9 1
            15   16  19 2
            16   19  20 1
            17   20  21 2
            18   21  22 1
            19   22  16 1
            20    7  10 1
            21   10  11 1
            22   11  12 2
            23    6   8 1
            24   17  23 1
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  17 2
            29    7   9 1
            30    2  27 1


entry: D03265
name: --- - Magnesium citrate (JAN/USP) - Tectlol (TN)
formula: (C6H5O7)2. 3Mg
activity: Laxative
remark: Therapeutic category: 7213
kcf:
ATOM        29
            1   C1d C    24.5543  -18.1225
            2   C1b C    23.3410  -18.8224
            3   C1b C    25.7675  -18.8167
            4   C6a C    25.2483  -16.9093
            5   O1a O    23.8487  -16.9035
            6   C6a C    22.1338  -18.1284
            7   C6a C    25.7675  -20.2107
            8   O6a O    26.6483  -16.9093
            9   O0  O    24.5367  -15.6902 #-
            10  O6a O    22.1278  -16.7284
            11  O0  O    20.9263  -18.8284 #-
            12  O6a O    24.5484  -20.9049
            13  O0  O    26.9749  -20.9166 #-
            14  Z   Mg   30.9401  -18.4800 #2+
            15  C1d C    24.5543  -18.1225
            16  C1b C    23.3410  -18.8224
            17  C6a C    22.1338  -18.1284
            18  O6a O    22.1278  -16.7284
            19  O0  O    20.9263  -18.8284 #-
            20  C1b C    25.7675  -18.8167
            21  C6a C    25.7675  -20.2107
            22  O6a O    24.5484  -20.9049
            23  O0  O    26.9749  -20.9166 #-
            24  C6a C    25.2483  -16.9093
            25  O6a O    26.6483  -16.9093
            26  O0  O    24.5367  -15.6902 #-
            27  O1a O    23.8487  -16.9035
            28  Z   Mg   30.9401  -18.4800 #2+
            29  Z   Mg   30.9401  -18.4800 #2+
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     6  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13   15  16 1
            14   15  20 1
            15   15  24 1
            16   15  27 1
            17   16  17 1
            18   20  21 1
            19   24  25 2
            20   24  26 1
            21   17  18 2
            22   17  19 1
            23   21  22 2
            24   21  23 1


entry: D03267
name: --- - Gonadorelin diacetate (JP15)
formula: C55H75N17O13. (C2H4O2)2. yH2O
remark: Therapeutic category: 2499 7223
kcf:
ATOM        94
            1   O6a O    11.5009  -22.0739
            2   C6a C    12.7076  -21.3771
            3   C1a C    13.9143  -22.0739
            4   O6a O    12.7076  -19.9838
            5   O0  O    20.0947  -22.2109
            6   C8y C    21.4162  -12.3875
            7   C8y C    20.9962  -13.7172
            8   C8y C    22.8159  -12.3875
            9   C8x C    20.7163  -11.1278
            10  C1b C    19.8065  -14.3471
            11  C8x C    22.1160  -14.4871
            12  N4x N    23.2358  -13.7172
            13  C8x C    23.5157  -11.1977
            14  C8x C    21.4162   -9.9380
            15  C1c C    19.8065  -15.7468
            16  C8x C    22.8159   -9.9380
            17  N1b N    18.6167  -16.4467
            18  C5a C    20.9962  -16.4467
            19  C5a C    17.4270  -15.7468
            20  N1b N    22.1860  -15.7468
            21  O5a O    20.9962  -17.8464
            22  C1c C    16.2372  -16.4467
            23  O5a O    17.4270  -14.3471
            24  C1c C    23.3758  -16.4467
            25  C1b C    16.2372  -17.8464
            26  N1b N    14.9775  -15.7468
            27  C5a C    24.5655  -15.7468
            28  C1b C    23.3758  -17.8464
            29  C8y C    17.4270  -18.5463
            30  C5a C    13.7877  -16.4467
            31  N1b N    25.7553  -16.4467
            32  O5a O    24.5655  -14.3471
            33  O1a O    24.5655  -18.4763
            34  C8x C    18.6867  -18.0564
            35  N5x N    17.4270  -19.9460
            36  C1y C    12.5979  -15.7468
            37  O5a O    13.7877  -17.8464
            38  C1c C    26.9451  -15.7468
            39  N4x N    19.5965  -19.1762
            40  C8x C    18.7567  -20.2959
            41  N1x N    12.5979  -14.4171
            42  C1x C    11.3382  -16.1668
            43  C1b C    26.9451  -14.3471
            44  C5a C    28.1348  -16.4467
            45  C5x C    11.3382  -13.9972
            46  C1x C    10.4983  -15.1170
            47  C8y C    28.1348  -13.6473
            48  N1b N    29.3246  -15.7468
            49  O5a O    28.1348  -17.7764
            50  O5x O    10.8483  -12.6675
            51  C8x C    29.3246  -14.3471
            52  C8x C    28.1348  -12.2475
            53  C1b C    30.5843  -16.4467
            54  C8x C    30.5843  -13.6473
            55  C8x C    29.3246  -11.5477
            56  C5a C    31.7742  -15.7468
            57  C8y C    30.5843  -12.2475
            58  N1b N    32.9640  -16.3767
            59  O5a O    31.7742  -14.3471
            60  O1a O    31.7742  -11.5477
            61  C1c C    34.1537  -15.7468
            62  C5a C    35.3435  -16.3767
            63  C1b C    34.1537  -14.3471
            64  N1b N    36.5332  -15.6769
            65  O5a O    35.3435  -17.7764
            66  C1c C    35.3435  -13.6473
            67  C1c C    37.7230  -16.3767
            68  C1a C    35.3435  -12.2475
            69  C1a C    36.5332  -14.3471
            70  C5a C    38.9128  -15.6769
            71  C1b C    37.7230  -17.7764
            72  N1y N    40.0325  -16.3767
            73  O5a O    38.9128  -14.3471
            74  C1b C    36.5332  -18.4763
            75  C1y C    41.4323  -16.3767
            76  C1x C    39.6826  -17.7064
            77  C1b C    36.5332  -19.8760
            78  C1x C    41.9222  -17.6365
            79  C5a C    42.6220  -15.6769
            80  C1x C    40.8024  -18.4763
            81  N1b N    35.3435  -20.5059
            82  N1b N    43.8118  -16.3767
            83  O5a O    42.6220  -14.2771
            84  C2c C    34.1537  -19.8760
            85  C1b C    43.8118  -19.2461
            86  N1a N    34.1537  -18.4763
            87  N2a N    32.8940  -20.5059
            88  C5a C    42.6220  -19.9460
            89  N1a N    42.6220  -21.3457
            90  O5a O    41.4323  -19.2461
            91  O6a O    11.5009  -22.0739
            92  C6a C    12.7076  -21.3771
            93  C1a C    13.9143  -22.0739
            94  O6a O    12.7076  -19.9838
BOND        96
            1     6   7 1
            2     6   8 2
            3     6   9 1
            4     7  10 1
            5     7  11 2
            6     8  12 1
            7     8  13 1
            8     9  14 2
            9    10  15 1
            10   13  16 2
            11   15  17 1
            12   15  18 1
            13   17  19 1
            14   18  20 1
            15   18  21 2
            16   19  22 1
            17   19  23 2
            18   20  24 1
            19   22  25 1
            20   22  26 1
            21   24  27 1
            22   24  28 1
            23   25  29 1
            24   26  30 1
            25   27  31 1
            26   27  32 2
            27   28  33 1
            28   29  34 2
            29   29  35 1
            30   30  36 1
            31   30  37 2
            32   31  38 1
            33   34  39 1
            34   35  40 2
            35   36  41 1
            36   36  42 1
            37   38  43 1
            38   38  44 1
            39   41  45 1
            40   42  46 1
            41   43  47 1
            42   44  48 1
            43   44  49 2
            44   45  50 2
            45   47  51 2
            46   47  52 1
            47   48  53 1
            48   51  54 1
            49   52  55 2
            50   53  56 1
            51   54  57 2
            52   56  58 1
            53   56  59 2
            54   57  60 1
            55   58  61 1
            56   61  62 1
            57   61  63 1
            58   62  64 1
            59   62  65 2
            60   63  66 1
            61   64  67 1
            62   66  68 1
            63   66  69 1
            64   67  70 1
            65   67  71 1
            66   70  72 1
            67   70  73 2
            68   71  74 1
            69   72  75 1
            70   72  76 1
            71   74  77 1
            72   75  78 1
            73   75  79 1
            74   76  80 1
            75   77  81 1
            76   79  82 1
            77   79  83 2
            78   81  84 1
            79   82  85 1
            80   84  86 1
            81   84  87 2
            82   85  88 1
            83   88  89 1
            84   88  90 2
            85   11  12 1
            86   14  16 1
            87   39  40 1
            88   45  46 1
            89   55  57 1
            90   78  80 1
            91    1   2 1
            92    2   3 1
            93    2   4 2
            94   91  92 1
            95   92  93 1
            96   92  94 2


entry: D03269
name: --- - Dinoprostone betadex (JAN) - Prostamon E (TN)
formula: (C42H70O35)x. C20H32O5
remark: Therapeutic category: 2499
kcf:
ATOM        102
            1   C1y C    47.9500  -19.1800
            2   C1y C    46.6200  -19.1100
            3   C1y C    48.5800  -20.3700
            4   O2x O    45.9200  -20.3000
            5   C1b C    45.9200  -17.9900
            6   C1y C    47.8800  -21.4900
            7   O1a O    49.9800  -20.3700
            8   C1y C    46.6200  -21.4900
            9   O1a O    44.4500  -17.9900
            10  O1a O    48.5800  -22.6800
            11  O2x O    45.9900  -22.8200
            12  C1y C    42.4200  -22.8200
            13  O2x O    48.5800  -17.8500
            14  C1y C    46.5500  -14.4900
            15  O1a O    49.9100  -15.5400
            16  C1y C    48.5100  -15.5400
            17  C1y C    47.8800  -16.7300
            18  C1y C    47.8800  -14.4900
            19  O2x O    46.5500  -16.7300
            20  O1a O    48.5800  -13.2300
            21  C1y C    45.9200  -15.6100
            22  C1b C    44.5900  -15.6100
            23  O1a O    43.9600  -16.8000
            24  O2x O    45.8500  -13.3000
            25  C1y C    42.2800  -11.2700
            26  C1y C    42.2800  -12.6000
            27  C1y C    43.4700  -10.6400
            28  O2x O    43.4000  -13.3000
            29  C1b C    41.0900  -13.3000
            30  C1y C    44.5900  -11.3400
            31  O1a O    43.5400   -9.2400
            32  C1y C    44.5900  -12.6000
            33  O1a O    41.0900  -14.7700
            34  O1a O    45.7800  -10.6400
            35  O2x O    41.1600  -10.5700
            36  O2x O    36.3300  -13.4400
            37  C1y C    37.5900  -12.5300
            38  C1y C    38.6400  -13.2300
            39  C1y C    37.5900  -11.2000
            40  O2x O    39.9000  -12.6700
            41  C1b C    38.7100  -14.6300
            42  C1y C    38.7800  -10.5700
            43  O1a O    36.4700  -10.4300
            44  C1y C    39.9000  -11.2700
            45  O1a O    39.6200  -15.5400
            46  O1a O    38.7800   -9.2400
            47  O2x O    33.8100  -18.2700
            48  C1y C    34.5100  -17.0100
            49  C1y C    35.7700  -17.0100
            50  C1y C    33.8100  -15.8900
            51  O2x O    36.4700  -15.8200
            52  C1b C    36.4700  -18.1300
            53  C1y C    34.4400  -14.7000
            54  O1a O    32.4100  -15.8200
            55  C1y C    35.7000  -14.7000
            56  O1a O    33.6700  -13.5800
            57  C1y C    41.7200  -24.0100
            58  C1y C    41.7200  -21.8400
            59  O2x O    40.5300  -24.0100
            60  C1b C    42.4900  -24.9200
            61  C1y C    40.4600  -21.8400
            62  O1a O    42.2800  -20.5800
            63  C1y C    39.8300  -22.8900
            64  O1a O    41.7900  -26.1800
            65  O1a O    39.7600  -20.6500
            66  O2x O    36.4700  -22.8900
            67  C1y C    35.8400  -21.6300
            68  O1a O    32.4800  -20.5800
            69  C1y C    33.8800  -20.5800
            70  C1y C    34.5100  -19.4600
            71  C1y C    34.5100  -21.6300
            72  O2x O    35.8400  -19.4600
            73  O1a O    33.8100  -22.8900
            74  C1y C    36.4700  -20.5800
            75  C1b C    37.8000  -20.5800
            76  O1a O    38.4300  -19.3900
            77  O1a O    37.9400  -18.1300
            78  C1y C    15.7500  -17.2900
            79  C1y C    15.7500  -18.6900
            80  C5x C    14.4200  -16.8700
            81  C1b C    17.1500  -16.0300
            82  C1y C    14.4900  -19.1100
            83  C2b C    16.9400  -19.3900
            84  C1x C    13.6500  -17.9900
            85  O5x O    14.0000  -15.5400
            86  C2b C    18.3400  -16.7300
            87  O1a O    14.0000  -20.4400
            88  C2b C    18.1300  -18.6900
            89  C2b C    19.7400  -16.7300
            90  C1c C    19.3200  -19.3900
            91  C1b C    20.9300  -16.0300
            92  C1b C    20.5100  -18.6900
            93  O1a O    19.3200  -20.7200
            94  C1b C    22.0500  -16.7300
            95  C1b C    21.7000  -19.3900
            96  C1b C    23.2400  -16.0300
            97  C1b C    22.8900  -18.6900
            98  C6a C    24.4300  -16.7300
            99  C1b C    24.0800  -19.3900
            100 O6a O    25.6900  -16.0300
            101 O6a O    24.4300  -18.1300
            102 C1a C    25.2700  -18.6900
BOND        109
            1    12  11 1 #Down
            2    21  22 1 #Down
            3    22  23 1
            4    17  13 1 #Up
            5    37  36 1 #Up
            6    37  38 1
            7    37  39 1
            8    38  40 1
            9    38  41 1 #Down
            10   39  42 1
            11   39  43 1 #Down
            12   40  44 1
            13   41  45 1
            14   42  46 1 #Up
            15   44  35 1 #Up
            16   42  44 1
            17    1   2 1
            18   14  24 1 #Up
            19    1   3 1
            20    2   4 1
            21    2   5 1 #Down
            22    3   6 1
            23    3   7 1 #Down
            24    4   8 1
            25    5   9 1
            26    6  10 1 #Up
            27   48  47 1 #Up
            28   48  49 1
            29   48  50 1
            30   49  51 1
            31   49  52 1 #Down
            32   50  53 1
            33   50  54 1 #Down
            34   51  55 1
            35   53  56 1 #Up
            36   53  55 1
            37    6   8 1
            38   16  15 1 #Up
            39   25  26 1
            40   25  27 1
            41   26  28 1
            42   26  29 1 #Down
            43   27  30 1
            44   27  31 1 #Down
            45   28  32 1
            46   29  33 1
            47   12  57 1
            48   12  58 1
            49   57  59 1
            50   57  60 1 #Up
            51   58  61 1
            52   58  62 1 #Up
            53   59  63 1
            54   60  64 1
            55   61  65 1 #Down
            56   63  66 1 #Down
            57   61  63 1
            58   30  34 1 #Up
            59   67  66 1 #Up
            60   32  24 1 #Up
            61   30  32 1
            62   16  17 1
            63   25  35 1 #Up
            64   16  18 1
            65   17  19 1
            66   18  14 1
            67   69  68 1 #Up
            68   69  70 1
            69   69  71 1
            70   70  72 1
            71   71  67 1
            72   71  73 1 #Down
            73   72  74 1
            74   67  74 1
            75   18  20 1 #Down
            76   74  75 1 #Down
            77   19  21 1
            78   75  76 1
            79   70  47 1 #Up
            80   55  36 1 #Up
            81    1  13 1 #Up
            82    8  11 1 #Up
            83   14  21 1
            84   52  77 1
            85   78  79 1
            86   78  80 1
            87   78  81 1 #Down
            88   79  82 1
            89   79  83 1 #Up
            90   80  84 1
            91   80  85 2
            92   81  86 1
            93   82  87 1 #Down
            94   83  88 2
            95   86  89 2
            96   88  90 1
            97   89  91 1
            98   90  92 1
            99   90  93 1 #Down
            100  91  94 1
            101  92  95 1
            102  94  96 1
            103  95  97 1
            104  96  98 1
            105  97  99 1
            106  98 100 1
            107  98 101 2
            108  99 102 1
            109  82  84 1


entry: D03271
name: --- - Magnesium silicate (JP15) - Magnesium trisilicate (USP) - Trimax (TN)
formula: 8O. 3Si. 2Mg. xH2O
activity: Antacid
remark: Therapeutic category: 2344
comment: Component of Methaphyllin (TN)
kcf:
ATOM        14
            1   Z   Mg   18.1300  -19.1100 #2+
            2   Z   Si   23.1000  -19.1100
            3   O0  O    27.9300  -19.1100 #2-
            4   O0  O    33.0400  -19.0400
            5   Z   Mg   18.1300  -19.1100 #2+
            6   Z   Si   23.1000  -19.1100
            7   Z   Si   23.1000  -19.1100
            8   O0  O    27.9300  -19.1100 #2-
            9   O0  O    27.9300  -19.1100 #2-
            10  O0  O    27.9300  -19.1100 #2-
            11  O0  O    27.9300  -19.1100 #2-
            12  O0  O    27.9300  -19.1100 #2-
            13  O0  O    27.9300  -19.1100 #2-
            14  O0  O    27.9300  -19.1100 #2-
BOND        0


entry: D03272
formula: C10H13N5O2. CH4SO3. H2O
remark: Therapeutic category: 3321
name:
--- 
- Adrenochrome monoaminoguanidine mesilate (JAN)
- Adrenochrome monoguanylhydrazone methanesulfonate monohydrate
- S adcar (TN)

kcf:
ATOM        23
            1   C5x C    23.0300  -17.9200
            2   C2y C    23.0300  -19.3200
            3   C2x C    24.2200  -20.0200
            4   C2x C    24.2200  -17.2200
            5   C2y C    25.4100  -17.9200
            6   C2y C    25.4100  -19.3200
            7   C1y C    26.7400  -19.7400
            8   C1x C    27.5800  -18.6200
            9   N1y N    26.7400  -17.5000
            10  O5x O    21.7700  -17.2200
            11  N2b N    21.7700  -20.0200
            12  N1b N    20.5800  -19.3200
            13  C2c C    19.3900  -20.0200
            14  N1a N    18.1300  -19.3200
            15  N2a N    19.3900  -21.4200
            16  O1a O    27.1600  -21.0700
            17  C1a C    27.1600  -16.1700
            18  C1a C    31.2200  -18.6900
            19  S4a S    32.6200  -18.6900
            20  O3c O    32.6200  -20.0900
            21  O1d O    34.0200  -18.6900
            22  O3c O    32.6200  -17.2900
            23  O0  O    38.9900  -18.6900
BOND        22
            1     7   8 1
            2     8   9 1
            3     9   5 1
            4     4   1 1
            5     1  10 2
            6     2  11 2
            7     1   2 1
            8    11  12 1
            9     2   3 1
            10   12  13 1
            11    3   6 2
            12   13  14 1
            13    5   4 2
            14   13  15 2
            15    5   6 1
            16    7  16 1
            17    6   7 1
            18    9  17 1
            19   18  19 1
            20   19  20 2
            21   19  21 1
            22   19  22 2


entry: D03273
name: --- - Carnitine chloride (JAN) - Entomin (TN)
formula: C7H16NO3. Cl
remark: Therapeutic category: 2336
kcf:
ATOM        12
            1   C6a C    31.5700  -18.9000
            2   C1b C    32.8300  -18.2000
            3   C1c C    34.0200  -18.9000
            4   C1b C    35.2800  -18.2000
            5   N1d N    36.4700  -18.9000 #+
            6   C1a C    37.6600  -18.2000
            7   O1a O    34.0200  -20.3000
            8   O6a O    30.3800  -18.2000
            9   O6a O    31.5700  -20.3000
            10  C1a C    36.4700  -20.3000
            11  C1a C    37.7300  -19.3900
            12  X   Cl   36.2600  -16.9400 #-
BOND        10
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     3   7 1
            7     1   8 1
            8     1   9 2
            9     5  10 1
            10    5  11 1


entry: D03274
name: --- - Chlorpromazine hibenzate (JAN) - Contomin (TN)
formula: C17H19ClN2S. C14H10O4
remark: Therapeutic category: 1171
kcf:
ATOM        39
            1   C8x C    18.0665  -18.4415
            2   C8x C    18.0665  -19.8441
            3   C8x C    19.2811  -20.5454
            4   C8y C    20.4959  -19.8441
            5   C8y C    20.4959  -18.4415
            6   C8x C    19.2811  -17.7402
            7   S2x S    21.7106  -20.5454
            8   C8y C    22.9253  -19.8441
            9   C8y C    22.9253  -18.4415
            10  N4y N    21.7106  -17.7402
            11  C8x C    24.1401  -20.5454
            12  C8x C    25.3547  -19.8441
            13  C8y C    25.3547  -18.4415
            14  C8x C    24.1401  -17.7402
            15  C1b C    21.7106  -16.3375
            16  C1b C    22.9274  -15.6350
            17  C1b C    24.1261  -16.3273
            18  N1c N    25.3152  -15.6408
            19  C1a C    26.5089  -16.3303
            20  C1a C    25.3154  -14.2338
            21  X   Cl   26.5735  -17.7379
            22  C8x C    29.6100  -18.3400
            23  C8y C    29.6100  -19.7400
            24  C8x C    30.8224  -20.4400
            25  C8x C    32.0349  -19.7400
            26  C8y C    32.0349  -18.3400
            27  C8x C    30.8224  -17.6400
            28  C8x C    34.4597  -19.7400
            29  C8y C    34.4597  -18.3400
            30  C5a C    33.2473  -17.6400
            31  C8x C    35.6722  -20.4400
            32  C8x C    36.8846  -19.7400
            33  C8x C    36.8846  -18.3400
            34  C8y C    35.6722  -17.6400
            35  O1a O    28.3976  -20.4400
            36  O5a O    33.2473  -16.2400
            37  C6a C    35.6722  -16.2403
            38  O6a O    36.9054  -15.5280
            39  O6a O    34.4806  -15.5522
BOND        42
            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   10  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1
            23   13  21 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   28  29 1
            31   29  30 1
            32   26  30 1
            33   28  31 2
            34   31  32 1
            35   32  33 2
            36   33  34 1
            37   29  34 2
            38   23  35 1
            39   30  36 2
            40   34  37 1
            41   37  38 1
            42   37  39 2


entry: D03276
name: --- - Profenamine hibenzate (JAN) - Parkin (TN)
formula: C19H24N2S. C14H10O4
remark: Therapeutic category: 1163
kcf:
ATOM        40
            1   C8y C     4.2000  -19.3900
            2   C8y C     4.2000  -20.7900
            3   S2x S     5.3900  -21.4900
            4   C8y C     6.6500  -20.7900
            5   C8y C     6.6500  -19.3900
            6   N1y N     5.3900  -18.6900
            7   C8x C     7.8400  -21.4900
            8   C8x C     9.0300  -20.7900
            9   C8x C     9.0300  -19.3900
            10  C8x C     7.8400  -18.6900
            11  C8x C     3.0100  -18.6900
            12  C8x C     1.7500  -19.3900
            13  C8x C     1.7500  -20.7900
            14  C8x C     3.0100  -21.4900
            15  C1b C     5.3900  -17.2900
            16  C1c C     6.6500  -16.5900
            17  N1c N     6.6500  -15.1900
            18  C1b C     7.8400  -14.4900
            19  C1a C     8.9600  -15.1900
            20  C1a C     7.8400  -17.2900
            21  C1b C     5.4600  -14.4900
            22  C1a C     4.2700  -15.1900
            23  C8x C    14.2100  -19.3200
            24  C8x C    14.2100  -20.7200
            25  C8x C    15.4700  -21.4200
            26  C8x C    16.6600  -20.7200
            27  C8y C    16.6600  -19.3200
            28  C8y C    15.4700  -18.6200
            29  C5a C    17.8500  -18.6200
            30  C8y C    19.1100  -19.3200
            31  C8x C    19.1100  -20.7200
            32  C8x C    20.3000  -21.4200
            33  C8y C    21.4900  -20.7200
            34  C8x C    21.4900  -19.3200
            35  C8x C    20.3000  -18.6200
            36  C6a C    15.4700  -17.2200
            37  O6a O    16.6600  -16.5200
            38  O6a O    14.2100  -16.5200
            39  O5a O    17.8500  -17.2200
            40  O1a O    22.7053  -21.4151
BOND        43
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    2  14 1
            17    6  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   16  20 1
            23   17  21 1
            24   21  22 1
            25   29  39 2
            26   29  30 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   35  30 1
            38   28  23 1
            39   28  36 1
            40   36  37 1
            41   27  29 1
            42   36  38 2
            43   33  40 1


entry: D03277
name: --- - Thiamine nitrate (JP15) - Thiamine mononitrate (USP) - Vitanon (TN)
formula: C12H17N4OS. HNO3
activity: Vitamin [enzyme co-factor]
remark: Therapeutic category: 3121
comment: Component of Tridocelan (TN)
kcf:
ATOM        22
            1   N2b N    40.5300  -19.3900 #+
            2   O3a O    40.5300  -17.9900
            3   O1b O    39.2700  -20.0900
            4   O0  O    41.7200  -20.0900 #-
            5   N5y N    29.8900  -19.1800 #+
            6   C8y C    30.8700  -20.1600
            7   C1b C    28.7000  -18.4800
            8   C8x C    30.5900  -17.9200
            9   C8y C    32.1300  -19.5300
            10  C1a C    30.6600  -21.5600
            11  C8y C    27.5100  -19.1800
            12  S2x S    31.9200  -18.1300
            13  C1b C    33.3900  -20.1600
            14  C8y C    27.5100  -20.5800
            15  C8x C    26.2500  -18.4800
            16  C1b C    34.5800  -19.3900
            17  N5x N    26.2500  -21.2800
            18  N1a N    28.7000  -21.2800
            19  N5x N    25.0600  -19.1800
            20  O1a O    35.7700  -20.0900
            21  C8y C    25.0600  -20.5800
            22  C1a C    23.8700  -21.2800
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     5   6 1
            5     5   7 1
            6     5   8 2
            7     6   9 2
            8     6  10 1
            9     7  11 1
            10    8  12 1
            11    9  13 1
            12   11  14 2
            13   11  15 1
            14   13  16 1
            15   14  17 1
            16   14  18 1
            17   15  19 2
            18   16  20 1
            19   17  21 2
            20   21  22 1
            21    9  12 1
            22   19  21 1


entry: D03281
name: --- - Pyridoxal calcium phosphate (JAN) - Aderoxal (TN)
formula: C8H8NO6P. 3H2O. Ca
remark: Therapeutic category: 3134
kcf:
ATOM        20
            1   C8y C    29.0500  -21.0000
            2   C8y C    27.8600  -20.3000
            3   C8x C    29.0500  -22.4000
            4   C1b C    30.2400  -20.3000
            5   C8y C    26.6000  -21.0000
            6   C4a C    27.8600  -18.9000
            7   N5x N    27.8600  -23.1000
            8   O2b O    31.5000  -21.0000
            9   C8y C    26.6000  -22.4000
            10  O1a O    25.4100  -20.3000
            11  O4a O    29.0500  -18.2000
            12  P1b P    32.8300  -21.0000
            13  C1a C    25.4100  -23.1000
            14  O0  O    34.2300  -21.0000 #-
            15  O0  O    32.8300  -22.4000 #-
            16  O3b O    32.8300  -19.6000
            17  Z   Ca   35.5419  -22.8135 #2+
            18  O0  O    42.3500  -20.7900
            19  O0  O    42.3500  -20.7900
            20  O0  O    42.3500  -20.7900
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 2
            11    8  12 1
            12    9  13 1
            13   12  14 1
            14   12  15 1
            15   12  16 2
            16    7   9 2


entry: D03288
name: --- - Calcium carbimide
formula: CN2. Ca
kcf:
ATOM        4
            1   C3b C    16.3809  -14.2806
            2   N0  N    15.1697  -14.9829 #2-
            3   N3a N    17.5920  -13.5784
            4   Z   Ca   11.5500  -14.9100 #2+
BOND        2
            1     1   2 1
            2     1   3 3


entry: D03289
name: --- - Calcium chloride Ca 45 (USAN)
formula: CaCl2
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        3
            1   Z   Ca   14.0094  -14.3632
            2   X   Cl   11.6066  -14.3467
            3   X   Cl   15.9455  -14.3632
BOND        2
            1     1   2 1
            2     1   3 1


entry: D03291
name: --- - Calcium chloride Ca 47 (USAN)
formula: CaCl2
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        3
            1   Z   Ca   16.5305  -14.3088
            2   X   Cl   14.0699  -14.2982
            3   X   Cl   18.1999  -14.3088
BOND        2
            1     1   2 1
            2     1   3 1


entry: D03292
name: --- - Cetotiamine hydrochloride (JAN) - Dicetamin (TN)
formula: C18H26N4O6S. HCl. H2O
remark: Therapeutic category: 3122
kcf:
ATOM        31
            1   N5x N    15.9574  -13.2277
            2   C8y C    15.9574  -14.6975
            3   N5x N    17.1472  -15.3974
            4   C8y C    18.3370  -14.6975
            5   C8y C    18.3370  -13.2277
            6   C8x C    17.1472  -12.5278
            7   C1b C    19.5969  -12.5278
            8   N1c N    20.7867  -13.2277
            9   C2c C    21.9766  -12.5278
            10  C2c C    23.2364  -13.2277
            11  C1a C    14.7675  -15.3974
            12  C1a C    21.9766  -11.1280
            13  C7a C    25.6161  -13.2277
            14  S2a S    24.4262  -12.5278
            15  C4a C    20.7867  -14.6275
            16  O7a O    26.8059  -12.5278
            17  C1b C    27.9958  -13.2277
            18  C1a C    29.1856  -12.5278
            19  C1b C    23.2364  -14.6275
            20  C1b C    24.4962  -15.3274
            21  O7a O    24.4962  -16.6573
            22  O4a O    22.0465  -15.3274
            23  N1a N    19.5969  -15.3974
            24  O7a O    25.6161  -14.6275
            25  C7a C    25.7085  -17.3572
            26  O7a O    25.7085  -18.7570
            27  O7a O    26.9058  -16.6658
            28  C1b C    28.0963  -17.3532
            29  C1a C    29.2860  -16.6663
            30  X   Cl   17.4249  -18.1276
            31  O0  O    21.6942  -18.1276
BOND        29
            1     3   4 2
            2     2  11 1
            3     4   5 1
            4     5   6 2
            5     6   1 1
            6     9  12 1
            7     5   7 1
            8     7   8 1
            9     1   2 2
            10    8   9 1
            11   13  14 1
            12   14  10 1
            13    2   3 1
            14    9  10 2
            15    8  15 1
            16   13  16 1
            17   16  17 1
            18   17  18 1
            19   10  19 1
            20   19  20 1
            21   20  21 1
            22   15  22 2
            23    4  23 1
            24   13  24 2
            25   21  25 1
            26   25  26 2
            27   25  27 1
            28   27  28 1
            29   28  29 1


entry: D03293
name: --- - Berberine sulfate (JAN) - Erben (TN)
formula: (C20H18NO4)2. SO4. xH2O
remark: Therapeutic category: 2314
kcf:
ATOM        56
            1   O0  O    32.1369  -15.1423 #-
            2   S4a S    33.5318  -15.1423
            3   O3c O    33.5248  -16.5372
            4   O0  O    34.9266  -15.1423 #-
            5   O3c O    33.5248  -13.7475
            6   O0  O    34.4290  -18.8507
            7   C8y C    18.8348  -14.4946
            8   C8y C    18.8348  -15.8955
            9   C8x C    20.0479  -16.5959
            10  C8y C    21.2611  -15.8955
            11  C8y C    21.2611  -14.4946
            12  C8x C    20.0479  -13.7942
            13  C8y C    22.4743  -16.5959
            14  N5y N    23.6874  -15.8955 #+
            15  C1x C    23.6874  -14.4946
            16  C1x C    22.4743  -13.7942
            17  C8x C    22.4743  -17.9968
            18  C8y C    23.6874  -18.6972
            19  C8y C    24.9007  -17.9968
            20  C8x C    24.9007  -16.5959
            21  C8x C    23.6874  -20.0981
            22  C8x C    24.9007  -20.7985
            23  C8y C    26.1138  -20.0981
            24  C8y C    26.1138  -18.6972
            25  O2x O    17.5024  -14.0618
            26  C1x C    16.6790  -15.1951
            27  O2x O    17.5024  -16.3284
            28  O2a O    27.3311  -17.9945
            29  C1a C    28.5293  -18.6864
            30  O2a O    27.3311  -20.8008
            31  C1a C    28.5293  -20.1089
            32  C8y C    18.8348  -14.4946
            33  C8y C    18.8348  -15.8955
            34  C8x C    20.0479  -16.5959
            35  C8y C    21.2611  -15.8955
            36  C8y C    21.2611  -14.4946
            37  C8x C    20.0479  -13.7942
            38  C1x C    22.4743  -13.7942
            39  C1x C    23.6874  -14.4946
            40  N5y N    23.6874  -15.8955 #+
            41  C8y C    22.4743  -16.5959
            42  C8x C    22.4743  -17.9968
            43  C8y C    23.6874  -18.6972
            44  C8y C    24.9007  -17.9968
            45  C8x C    24.9007  -16.5959
            46  C8y C    26.1138  -18.6972
            47  C8y C    26.1138  -20.0981
            48  C8x C    24.9007  -20.7985
            49  C8x C    23.6874  -20.0981
            50  O2a O    27.3311  -20.8008
            51  C1a C    28.5293  -20.1089
            52  O2a O    27.3311  -17.9945
            53  C1a C    28.5293  -18.6864
            54  O2x O    17.5024  -16.3284
            55  C1x C    16.6790  -15.1951
            56  O2x O    17.5024  -14.0618
BOND        62
            1     1   2 1
            2     2   3 2
            3     2   4 1
            4     2   5 2
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10    7  12 1
            11   10  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   11  16 1
            16   13  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   14  20 2
            21   18  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26    7  25 1
            27   25  26 1
            28   26  27 1
            29    8  27 1
            30   24  28 1
            31   28  29 1
            32   23  30 1
            33   30  31 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   32  37 1
            40   35  41 1
            41   41  40 1
            42   40  39 1
            43   39  38 1
            44   36  38 1
            45   41  42 2
            46   42  43 1
            47   43  44 2
            48   44  45 1
            49   40  45 2
            50   43  49 1
            51   49  48 2
            52   48  47 1
            53   47  46 2
            54   44  46 1
            55   32  56 1
            56   56  55 1
            57   55  54 1
            58   33  54 1
            59   46  52 1
            60   52  53 1
            61   47  50 1
            62   50  51 1


entry: D03294
name: --- - Calcium glubionate (USAN) - Neo-calglucon (TN)
formula: C12H21O12. C6H11O7. Ca. H2O
activity: Replenisher [calcium]
kcf:
ATOM        39
            1   O0  O    25.2013  -13.6510 #-
            2   C6a C    26.3914  -12.9509
            3   C1c C    27.6514  -13.6510
            4   C1c C    28.8415  -12.9509
            5   C1c C    30.0316  -13.6510
            6   C1c C    31.2916  -12.9509
            7   C1b C    32.4817  -13.6510
            8   O1a O    33.6718  -12.9509
            9   O6a O    26.3914  -11.5508
            10  O1a O    27.6514  -15.0510
            11  O1a O    28.8415  -11.5508
            12  O1a O    30.0316  -15.0510
            13  O1a O    31.2916  -11.5508
            14  Z   Ca   24.3612  -15.2611 #2+
            15  O0  O    31.9920  -20.8609
            16  C1c C    18.9959  -13.5860
            17  C1c C    20.1913  -12.8955
            18  C1c C    17.7615  -12.8733
            19  C1b C    16.5602  -13.5670
            20  O1a O    15.3757  -12.8832
            21  O1a O    17.7615  -11.4801
            22  C1c C    21.3736  -13.5779
            23  C6a C    22.5672  -12.8884
            24  O0  O    23.7557  -13.5743 #-
            25  O6a O    22.5671  -11.4803
            26  C1y C    17.7808  -15.6809
            27  O2x O    16.5907  -14.9809
            28  C1y C    17.7808  -17.0110
            29  C1y C    15.4006  -15.6809
            30  C1y C    16.5907  -17.7111
            31  O1a O    19.0409  -17.7111
            32  C1y C    15.4006  -17.0110
            33  C1b C    14.2106  -14.9809
            34  O1a O    16.5907  -19.1111
            35  O1a O    14.2106  -17.7111
            36  O1a O    13.0205  -15.6809
            37  O2a O    18.9959  -14.9860
            38  O1a O    20.1914  -11.4804
            39  O1a O    21.3739  -14.9798
BOND        36
            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     2   9 2
            9     3  10 1 #Up
            10    4  11 1 #Up
            11    5  12 1 #Up
            12    6  13 1 #Down
            13   16  17 1
            14   16  18 1
            15   18  19 1
            16   19  20 1
            17   18  21 1 #Up
            18   17  22 1
            19   22  23 1
            20   23  24 1
            21   23  25 2
            22   26  27 1
            23   26  28 1
            24   27  29 1
            25   28  30 1
            26   28  31 1 #Down
            27   29  32 1
            28   29  33 1 #Up
            29   30  34 1 #Up
            30   32  35 1 #Up
            31   33  36 1
            32   30  32 1
            33   26  37 1 #Up
            34   16  37 1 #Down
            35   17  38 1 #Down
            36   22  39 1 #Down


entry: D03296
name: --- - Calcium lactobionate (USP) - Calcium lactobionate dihydrate
formula: (C12H21O12)2. 2H2O. Ca
activity: Supplement [calcium]
kcf:
ATOM        51
            1   O0  O    20.9468   -8.7573
            2   Z   Ca   19.8806   -6.3152 #2+
            3   C1c C    11.9000   -6.3000
            4   C1c C    13.0900   -5.6700
            5   C1c C    10.7100   -5.6000
            6   C1b C     9.4500   -6.3000
            7   O1a O     8.2600   -5.6000
            8   O1a O    10.7100   -4.2000
            9   C1c C    14.2800   -6.3000
            10  C6a C    15.5400   -5.6000
            11  O0  O    16.7300   -6.3000 #-
            12  O6a O    15.5400   -4.2000
            13  C1y C    10.7100   -8.4700
            14  O2x O     9.5200   -7.7700
            15  C1y C    10.7100   -9.8000
            16  C1y C     8.3300   -8.4700
            17  C1y C     9.5200  -10.5000
            18  O1a O    11.9700  -10.5000
            19  C1y C     8.3300   -9.8000
            20  C1b C     7.0700   -7.7700
            21  O1a O     9.5200  -11.9000
            22  O1a O     7.0700  -10.5000
            23  O1a O     5.8800   -8.4700
            24  O2a O    11.9000   -7.7700
            25  O1a O    13.0900   -4.2000
            26  O1a O    14.2800   -7.7700
            27  O0  O    20.9468   -8.7573
            28  C1c C    11.9000   -6.3000
            29  C1c C    13.0900   -5.6700
            30  C1c C    14.2800   -6.3000
            31  C6a C    15.5400   -5.6000
            32  O0  O    16.7300   -6.3000 #-
            33  O6a O    15.5400   -4.2000
            34  O1a O    14.2800   -7.7700
            35  O1a O    13.0900   -4.2000
            36  C1c C    10.7100   -5.6000
            37  C1b C     9.4500   -6.3000
            38  O1a O     8.2600   -5.6000
            39  O1a O    10.7100   -4.2000
            40  O2a O    11.9000   -7.7700
            41  C1y C    10.7100   -8.4700
            42  O2x O     9.5200   -7.7700
            43  C1y C     8.3300   -8.4700
            44  C1y C     8.3300   -9.8000
            45  O1a O     7.0700  -10.5000
            46  C1y C     9.5200  -10.5000
            47  C1y C    10.7100   -9.8000
            48  O1a O    11.9700  -10.5000
            49  O1a O     9.5200  -11.9000
            50  C1b C     7.0700   -7.7700
            51  O1a O     5.8800   -8.4700
BOND        48
            1     3   4 1
            2     3   5 1
            3     5   6 1
            4     6   7 1
            5     5   8 1 #Up
            6     4   9 1
            7     9  10 1
            8    10  11 1
            9    10  12 2
            10   13  14 1
            11   13  15 1
            12   14  16 1
            13   15  17 1
            14   15  18 1 #Down
            15   16  19 1
            16   16  20 1 #Up
            17   17  21 1 #Up
            18   19  22 1 #Up
            19   20  23 1
            20   17  19 1
            21   13  24 1 #Up
            22    3  24 1 #Down
            23    4  25 1 #Down
            24    9  26 1 #Down
            25   28  29 1
            26   28  36 1
            27   36  37 1
            28   37  38 1
            29   36  39 1 #Up
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   31  33 2
            34   41  42 1
            35   41  47 1
            36   42  43 1
            37   47  46 1
            38   47  48 1 #Down
            39   43  44 1
            40   43  50 1 #Up
            41   46  49 1 #Up
            42   44  45 1 #Up
            43   50  51 1
            44   46  44 1
            45   41  40 1 #Up
            46   28  40 1 #Down
            47   29  35 1 #Down
            48   30  34 1 #Down


entry: D03297
name: --- - Mecasermin (genetical recombination) (JAN) - Mecasermin (USAN) - Myotrophin (TN)
remark: Therapeutic category: 2499
activity:
Treatment of amyotrophic lateral sclerosis; Treatment of diabetes mellitus [types I and types II]; Treatment of growth hormone insensitivity [GHIS]


entry: D03298
name: --- - Calcium levulinate (USP)
formula: 2H2O. (C5H7O3)2. Ca
activity: Replenisher [calcium]
kcf:
ATOM        19
            1   C1a C     7.2800  -13.3000
            2   C5a C     8.4924  -14.0000
            3   C1b C     9.7049  -13.3000
            4   C1b C    10.9173  -14.0000
            5   C6a C    12.1297  -13.3000
            6   O0  O    13.3422  -14.0000 #-
            7   O5a O     8.4924  -15.3998
            8   O6a O    12.1297  -11.9001
            9   Z   Ca   17.2900  -11.0600 #2+
            10  O0  O    18.5500  -13.5800
            11  C1a C     7.2800  -13.3000
            12  C5a C     8.4924  -14.0000
            13  C1b C     9.7049  -13.3000
            14  C1b C    10.9173  -14.0000
            15  C6a C    12.1297  -13.3000
            16  O0  O    13.3422  -14.0000 #-
            17  O6a O    12.1297  -11.9001
            18  O5a O     8.4924  -15.3998
            19  O0  O    18.5500  -13.5800
BOND        14
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 2
            7     5   8 2
            8    11  12 1
            9    12  13 1
            10   13  14 1
            11   14  15 1
            12   15  16 1
            13   12  18 2
            14   15  17 2


entry: D03299
name: --- - Thiamine disulfide (JAN) - Allynate F (TN)
formula: C24H34N8O4S2
remark: Therapeutic category: 3122
comment: Component of Alithia N (TN), Dai medine (TN)
kcf:
ATOM        38
            1   C8y C    24.9900  -20.3700
            2   N5x N    24.9900  -18.9700
            3   C8x C    26.1800  -18.2700
            4   C8y C    27.3700  -18.9700
            5   C8y C    27.3700  -20.3700
            6   N5x N    26.1800  -21.0700
            7   C1b C    28.6300  -18.2700
            8   N1c N    29.8200  -18.9700
            9   C2c C    31.0100  -18.2700
            10  C4a C    29.8200  -20.3700
            11  C2c C    32.2700  -18.9700
            12  C1a C    31.0100  -16.8700
            13  S3a S    33.4600  -18.2700
            14  C1a C    23.7300  -21.0700
            15  O4a O    31.0100  -21.0700
            16  N1a N    28.6300  -21.0700
            17  C1b C    32.2700  -20.3700
            18  C1b C    33.4600  -21.0700
            19  O1a O    33.4600  -22.4700
            20  S3a S    34.6500  -18.9700
            21  C2c C    35.9100  -18.2700
            22  C2c C    37.1000  -18.9700
            23  N1c N    38.2900  -18.2700
            24  C1b C    39.5500  -18.9700
            25  C8y C    40.7400  -18.2700
            26  C1a C    37.1000  -20.3700
            27  C4a C    38.2900  -16.8700
            28  C8x C    41.9300  -18.9700
            29  N5x N    43.1900  -18.2700
            30  C8y C    43.1900  -16.8700
            31  N5x N    41.9300  -16.1700
            32  C8y C    40.7400  -16.8700
            33  N1a N    39.5500  -16.1700
            34  C1a C    44.3800  -16.1700
            35  C1b C    35.9100  -16.8700
            36  C1b C    34.7200  -16.1700
            37  O1a O    34.7200  -14.7700
            38  O4a O    37.1000  -16.1700
BOND        39
            1     1   2 1
            2     7   8 1
            3     2   3 2
            4     8   9 1
            5     3   4 1
            6     8  10 1
            7     4   5 2
            8     9  11 2
            9     5   6 1
            10    9  12 1
            11    6   1 2
            12   11  13 1
            13    1  14 1
            14    4   7 1
            15   10  15 2
            16    5  16 1
            17   11  17 1
            18   17  18 1
            19   18  19 1
            20   13  20 1
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   22  26 1
            27   23  27 1
            28   25  28 2
            29   28  29 1
            30   29  30 2
            31   30  31 1
            32   31  32 2
            33   25  32 1
            34   32  33 1
            35   30  34 1
            36   21  35 1
            37   35  36 1
            38   36  37 1
            39   27  38 2


entry: D03300
name: --- - Calcium pantothenate, racemic (USP)
formula: (C9H16NO5)2. Ca
activity: Vitamin [enzyme co-factor]
remark: Therapeutic category: 3133
kcf:
ATOM        31
            1   C1c C    14.2373  -13.5953
            2   C1d C    13.0202  -14.2940
            3   C5a C    15.4485  -14.2940
            4   C1b C    11.8091  -13.5953
            5   C1a C    11.8091  -14.9986
            6   C1a C    14.2373  -14.9986
            7   N1b N    16.6538  -13.5953
            8   O5a O    15.4485  -15.6916
            9   O1a O    10.5920  -14.2940
            10  C1b C    17.8709  -14.2940
            11  C1b C    19.0822  -13.5953
            12  C6a C    20.2933  -14.2940
            13  O0  O    21.5103  -13.5953 #-
            14  O6a O    20.2933  -15.6916
            15  O1a O    14.2390  -12.1803
            16  Z   Ca   24.8713  -14.7950 #2+
            17  C1c C    14.2373  -13.5953
            18  C1d C    13.0202  -14.2940
            19  C1b C    11.8091  -13.5953
            20  O1a O    10.5920  -14.2940
            21  C1a C    11.8091  -14.9986
            22  C1a C    14.2373  -14.9986
            23  C5a C    15.4485  -14.2940
            24  N1b N    16.6538  -13.5953
            25  C1b C    17.8709  -14.2940
            26  C1b C    19.0822  -13.5953
            27  C6a C    20.2933  -14.2940
            28  O0  O    21.5103  -13.5953 #-
            29  O6a O    20.2933  -15.6916
            30  O5a O    15.4485  -15.6916
            31  O1a O    14.2390  -12.1803
BOND        28
            1    12  13 1
            2    12  14 2
            3     1   2 1
            4     1   3 1
            5     2   4 1
            6     2   5 1
            7     2   6 1
            8     3   7 1
            9     3   8 2
            10    4   9 1
            11    7  10 1
            12   10  11 1
            13   11  12 1
            14    1  15 1
            15   27  28 1
            16   27  29 2
            17   17  18 1
            18   17  23 1
            19   18  19 1
            20   18  21 1
            21   18  22 1
            22   23  24 1
            23   23  30 2
            24   19  20 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   17  31 1


entry: D03301
name: --- - Prednisolone valerate acetate (JAN) - Spirazon (TN) - PDL
formula: C28H38O7
remark: Therapeutic category: 2646
kcf:
ATOM        35
            1   C2x C    24.6400  -21.6300
            2   C5x C    24.6400  -23.0300
            3   C2x C    25.8524  -23.7300
            4   C2y C    27.0649  -23.0300
            5   C1z C    27.0649  -21.6300
            6   C2x C    25.8524  -20.9300
            7   C1x C    28.2773  -23.7300
            8   C1x C    29.4897  -23.0300
            9   C1y C    29.4897  -21.6300
            10  C1y C    28.2773  -20.9300
            11  C1y C    30.7022  -20.9300
            12  C1z C    30.7022  -19.5300
            13  C1x C    29.4897  -18.8300
            14  C1y C    28.2773  -19.5300
            15  C1x C    33.1270  -20.9300
            16  C1x C    33.1270  -19.5300
            17  C1z C    31.9146  -18.8300
            18  C5a C    31.9146  -17.3600
            19  O7a O    33.1270  -18.1300
            20  O5a O    33.1311  -16.6577
            21  C1b C    30.7062  -16.6623
            22  O7a O    29.5127  -17.3516
            23  C7a C    28.3244  -16.6655
            24  C1a C    27.1337  -17.3532
            25  O7a O    28.3242  -15.2602
            26  C7a C    34.5270  -18.1300
            27  O7a O    35.2227  -19.3350
            28  C1b C    35.2227  -16.9250
            29  C1b C    36.6227  -16.9250
            30  C1b C    37.3130  -15.7293
            31  C1a C    38.7098  -15.7292
            32  C1a C    30.7022  -18.2700
            33  O1a O    27.0669  -18.8312
            34  C1a C    27.0649  -20.2300
            35  O5x O    23.4276  -23.7300
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   17  19 1 #Down
            23   18  20 2
            24   18  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   23  25 2
            29   19  26 1
            30   26  27 2
            31   26  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   12  32 1 #Up
            36   14  33 1 #Up
            37    5  34 1 #Up
            38    2  35 2


entry: D03302
formula: HPO4. Ca
activity: Replenisher [calcium]; Pharmaceutic aid [tablet base]
remark: Therapeutic category: 3219
name:
--- 
- Anhydrous dibasic calcium phosphate (JP15)
- Dibasic calcium phosphate, anhydrous (JAN)
- Calcium phosphate, dibasic (USP)
- CalStar (TN)

kcf:
ATOM        6
            1   P1b P    17.8500  -14.4900
            2   O3b O    17.8500  -13.0900
            3   O0  O    17.8500  -15.8900 #-
            4   O0  O    19.2966  -14.4900 #-
            5   O1c O    16.4966  -14.4900
            6   Z   Ca   22.9600  -14.7700 #2+
BOND        4
            1     1   3 1
            2     1   4 1
            3     1   5 1
            4     1   2 2


entry: D03303
name: --- - Calcium phosphate, tribasic (NF)
formula: 5Ca. 3PO4. OH
activity: Replenisher [calcium]
remark: Therapeutic category: 3219
kcf:
ATOM        21
            1   P1b P    16.7300  -14.4900
            2   O3b O    16.7300  -13.0900
            3   O0  O    16.7300  -15.8900 #-
            4   O0  O    18.1766  -14.4900 #-
            5   O0  O    15.3766  -14.4900 #-
            6   Z   Ca   21.8400  -14.7700 #2+
            7   O0  O    21.9800  -12.3900 #-
            8   P1b P    16.7300  -14.4900
            9   O0  O    16.7300  -15.8900 #-
            10  O0  O    18.1766  -14.4900 #-
            11  O0  O    15.3766  -14.4900 #-
            12  O3b O    16.7300  -13.0900
            13  P1b P    16.7300  -14.4900
            14  O0  O    16.7300  -15.8900 #-
            15  O0  O    18.1766  -14.4900 #-
            16  O0  O    15.3766  -14.4900 #-
            17  O3b O    16.7300  -13.0900
            18  Z   Ca   21.8400  -14.7700 #2+
            19  Z   Ca   21.8400  -14.7700 #2+
            20  Z   Ca   21.8400  -14.7700 #2+
            21  Z   Ca   21.8400  -14.7700 #2+
BOND        12
            1     1   3 1
            2     1   4 1
            3     1   5 1
            4     1   2 2
            5     8   9 1
            6     8  10 1
            7     8  11 1
            8     8  12 2
            9    13  14 1
            10   13  15 1
            11   13  16 1
            12   13  17 2


entry: D03306
activity: Laxative
remark: Therapeutic category: 2399
name:
--- 
- Polycarbophil calcium (JAN)
- Polycarbophil (USP)
- Calcium polycarbophil (USP)
- Mitrolan (TN)


entry: D03307
name: --- - Calcium saccharate (USP)
formula: C6H8O8. 4H2O. Ca
activity: Pharmaceutic aid [stabilizer]
kcf:
ATOM        19
            1   O0  O     9.5200  -13.6500 #-
            2   C6a C    10.7324  -14.3500
            3   C1c C    11.9449  -13.6500
            4   C1c C    13.1573  -14.3500
            5   C1c C    14.3697  -13.6500
            6   C1c C    15.5822  -14.3500
            7   C6a C    16.7946  -13.6500
            8   O0  O    18.0070  -14.3500 #-
            9   O6a O    10.7324  -15.7498
            10  O1a O    11.9449  -12.2502
            11  O1a O    13.1573  -15.7500
            12  O1a O    14.3697  -12.2501
            13  O1a O    15.5822  -15.7497
            14  O6a O    16.7946  -12.2500
            15  Z   Ca   21.5600  -13.2300 #2+
            16  O0  O    22.8900  -15.1200
            17  O0  O    22.8900  -15.1200
            18  O0  O    22.8900  -15.1200
            19  O0  O    22.8900  -15.1200
BOND        13
            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     2   9 2
            9     3  10 1 #Up
            10    4  11 1 #Down
            11    5  12 1 #Down
            12    6  13 1 #Down
            13    7  14 2


entry: D03308
formula: C8H10IN3
activity: Diagnostic aid; Radioactive agent
remark: Therapeutic category: 4300
name:
--- 
- 3-Iodobenzylguanidine (131I) (JAN)
- Iobenguane I 131 (USP)
- 131I-m-Iodobenzylguanidine
- PheoMIBG-I 131 (TN)

kcf:
ATOM        12
            1   C8x C    23.3800  -15.8200
            2   C8y C    23.3800  -17.2200
            3   C8x C    22.1900  -17.9200
            4   C8y C    21.0000  -17.2200
            5   C8x C    21.0000  -15.8200
            6   C8x C    22.1900  -15.1200
            7   X   I    19.7400  -17.9200
            8   C1b C    24.6400  -17.9200
            9   N1b N    25.8300  -17.2200
            10  C2c C    27.0200  -17.9200
            11  N1a N    28.2800  -17.2200
            12  N2a N    27.0200  -19.3200
BOND        12
            1     6   1 1
            2     4   7 1
            3     1   2 2
            4     2   8 1
            5     2   3 1
            6     8   9 1
            7     3   4 2
            8     9  10 1
            9     4   5 1
            10   10  11 1
            11    5   6 2
            12   10  12 2


entry: D03309
name: --- - Calcium silicate (NF)
formula: SiO4. 2Ca
activity: Pharmaceutic aid [tablet excipient]
kcf:
ATOM        7
            1   Z   Si   23.5900  -15.8200
            2   O0  O    23.5900  -14.4200 #-
            3   O0  O    23.5900  -17.2200 #-
            4   O0  O    25.0366  -15.8200 #-
            5   O0  O    22.2366  -15.8200 #-
            6   Z   Ca   28.1400  -15.8900 #2+
            7   Z   Ca   28.1400  -15.8900 #2+
BOND        4
            1     1   3 1
            2     1   4 1
            3     1   5 1
            4     1   2 1


entry: D03310
name: --- - Calcium stearate (JP15/NF)
formula: (C18H35O2)2. Ca
activity: Pharmaceutic aid [tablet and/or capsule lubricant]
remark: Therapeutic category: 7121 7190
kcf:
ATOM        41
            1   Z   Ca   20.9859  -18.7257 #2+
            2   O0  O    23.3645  -20.8904 #-
            3   C6a C    24.4218  -20.2800
            4   C1b C    25.6623  -20.8904
            5   C1b C    26.8416  -20.2800
            6   C1a C    28.5703  -20.8904
            7   O6a O    24.4218  -19.0593
            8   O0  O    23.4307  -17.3985 #-
            9   C6a C    24.4785  -16.7699
            10  C1b C    25.7358  -17.3985
            11  C1b C    26.9233  -16.7699
            12  C1a C    28.6696  -17.3985
            13  O6a O    24.4785  -15.5824
            14  C1b C    25.6623  -20.8904
            15  C1b C    26.8416  -20.2800
            16  C1b C    25.6623  -20.8904
            17  C1b C    26.8416  -20.2800
            18  C1b C    25.6623  -20.8904
            19  C1b C    26.8416  -20.2800
            20  C1b C    25.6623  -20.8904
            21  C1b C    26.8416  -20.2800
            22  C1b C    25.6623  -20.8904
            23  C1b C    26.8416  -20.2800
            24  C1b C    25.6623  -20.8904
            25  C1b C    26.8416  -20.2800
            26  C1b C    25.6623  -20.8904
            27  C1b C    26.8416  -20.2800
            28  C1b C    25.7358  -17.3985
            29  C1b C    26.9233  -16.7699
            30  C1b C    25.7358  -17.3985
            31  C1b C    26.9233  -16.7699
            32  C1b C    25.7358  -17.3985
            33  C1b C    26.9233  -16.7699
            34  C1b C    25.7358  -17.3985
            35  C1b C    26.9233  -16.7699
            36  C1b C    25.7358  -17.3985
            37  C1b C    26.9233  -16.7699
            38  C1b C    25.7358  -17.3985
            39  C1b C    26.9233  -16.7699
            40  C1b C    25.7358  -17.3985
            41  C1b C    26.9233  -16.7699
BOND        38
            1     2   3 1
            2     3   7 2
            3     8   9 1
            4     9  13 2
            5     3   4 1
            6     4   5 1
            7     5  14 1
            8    14  15 1
            9    15  16 1
            10   16  17 1
            11   17  18 1
            12   18  19 1
            13   19  20 1
            14   20  21 1
            15   21  22 1
            16   22  23 1
            17   23  24 1
            18   24  25 1
            19   25  26 1
            20   26  27 1
            21   27   6 1
            22    9  10 1
            23   10  11 1
            24   11  28 1
            25   28  29 1
            26   29  30 1
            27   30  31 1
            28   31  32 1
            29   32  33 1
            30   33  34 1
            31   34  35 1
            32   35  36 1
            33   36  37 1
            34   37  38 1
            35   38  39 1
            36   39  40 1
            37   40  41 1
            38   41  12 1


entry: D03315
name: --- - Calcium undecylenate (USP)
formula: (C11H19O2)2. Ca
activity: Antifungal
remark: Therapeutic category: 2651
kcf:
ATOM        27
            1   Z   Ca   15.8511  -18.0911 #2+
            2   C2a C    25.2551  -15.4750
            3   C2b C    24.0424  -16.1747
            4   C1b C    22.8296  -15.4750
            5   C1b C    21.6168  -16.1747
            6   C6a C    20.4041  -15.4750
            7   O0  O    19.1913  -16.1747 #-
            8   O6a O    20.4041  -14.0756
            9   C2a C    25.2700  -19.1100
            10  C2b C    24.0100  -19.8100
            11  C1b C    22.8200  -19.1100
            12  C1b C    21.6300  -19.8100
            13  C6a C    20.3700  -19.1100
            14  O0  O    19.1800  -19.8100 #-
            15  O6a O    20.3700  -17.7100
            16  C1b C    22.8296  -15.4750
            17  C1b C    21.6168  -16.1747
            18  C1b C    22.8296  -15.4750
            19  C1b C    21.6168  -16.1747
            20  C1b C    22.8296  -15.4750
            21  C1b C    21.6168  -16.1747
            22  C1b C    22.8200  -19.1100
            23  C1b C    21.6300  -19.8100
            24  C1b C    22.8200  -19.1100
            25  C1b C    21.6300  -19.8100
            26  C1b C    22.8200  -19.1100
            27  C1b C    21.6300  -19.8100
BOND        24
            1     2   3 2
            2     6   7 1
            3     6   8 2
            4     9  10 2
            5    13  14 1
            6    13  15 2
            7     3   4 1
            8     4   5 1
            9     5  16 1
            10   16  17 1
            11   17  18 1
            12   18  19 1
            13   19  20 1
            14   20  21 1
            15   21   6 1
            16   10  11 1
            17   11  12 1
            18   12  22 1
            19   22  23 1
            20   23  24 1
            21   24  25 1
            22   25  26 1
            23   26  27 1
            24   27  13 1


entry: D03319
name: --- - Fursultiamine (JAN) - Aliaron F (TN)
formula: C17H26N4O3S2
remark: Therapeutic category: 3122
comment: Component of Vitaneurin (TN)
kcf:
ATOM        26
            1   N5x N    24.7964  -14.9758
            2   C8y C    24.7964  -16.4451
            3   N5x N    25.9858  -17.1448
            4   C8y C    27.1752  -16.4451
            5   C8y C    27.1752  -14.9758
            6   C8x C    25.9858  -14.2762
            7   C1b C    28.4346  -14.2762
            8   N1c N    29.6240  -14.9758
            9   C2c C    30.8136  -14.2762
            10  C2c C    32.0729  -14.9758
            11  C1a C    23.6070  -17.1448
            12  C1a C    30.8136  -12.8769
            13  S3a S    34.4518  -14.9758
            14  S3a S    33.2624  -14.2762
            15  C4a C    29.6240  -16.3752
            16  C1b C    35.6412  -14.2762
            17  C1b C    32.0729  -16.3752
            18  C1b C    33.3324  -17.0748
            19  O1a O    33.3324  -18.4042
            20  O4a O    30.8835  -17.0748
            21  N1a N    28.4346  -17.1448
            22  C1y C    36.8391  -14.9543
            23  C1x C    36.7942  -16.3470
            24  C1x C    38.1003  -16.8220
            25  C1x C    38.9555  -15.7265
            26  O2x O    38.1780  -14.5747
BOND        27
            1     3   4 2
            2     2  11 1
            3     4   5 1
            4     5   6 2
            5     6   1 1
            6     9  12 1
            7     5   7 1
            8     7   8 1
            9     1   2 2
            10    8   9 1
            11   13  14 1
            12   14  10 1
            13    2   3 1
            14    9  10 2
            15    8  15 1
            16   13  16 1
            17   10  17 1
            18   17  18 1
            19   18  19 1
            20   15  20 2
            21    4  21 1
            22   16  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   22  26 1


entry: D03320
name: --- - Calteridol calcium (USAN)
formula: (C17H29N4O7. Ca)2. Ca
activity: Pharmaceutic aid
kcf:
ATOM        59
            1   N1y N     0.8542   -4.6792
            2   N1y N     0.8448   -6.3288
            3   C1x C     1.5614   -5.9205
            4   C1x C     1.5661   -5.0957
            5   N1y N    -0.7875   -6.3250
            6   C1x C    -0.3792   -7.0375
            7   C1x C     0.4420   -7.0401
            8   N1y N    -0.7875   -4.6750
            9   C1x C     0.4466   -3.9677
            10  C1x C    -0.3746   -3.9651
            11  C1x C    -1.5000   -5.0875
            12  C1x C    -1.5000   -5.9125
            13  C1b C    -1.3674   -4.0882
            14  C6a C    -2.1958   -4.0875
            15  C1b C     1.4332   -4.0915
            16  C1b C     1.4181   -6.9220
            17  C1b C    -1.3692   -6.9100
            18  C6a C    -2.1958   -6.9083
            19  C1c C     2.2417   -6.9208
            20  C6a C     2.2542   -4.0875
            21  O0  O    -2.6089   -4.8016 #-
            22  O6a O    -2.6078   -3.3727
            23  O0  O    -2.6069   -6.1930 #-
            24  O6a O    -2.6098   -7.6220
            25  C1a C     2.6552   -7.6347
            26  O1a O     2.6531   -6.2058
            27  O0  O     2.6702   -4.7999 #-
            28  O6a O     2.6632   -3.3710
            29  Z   Ca   -0.2875   -5.4625 #2+
            30  Z   Ca    5.0875   -5.5875 #2+
            31  N1y N     0.8542   -4.6792
            32  N1y N     0.8448   -6.3288
            33  C1x C     1.5614   -5.9205
            34  C1x C     1.5661   -5.0957
            35  N1y N    -0.7875   -6.3250
            36  C1x C    -0.3792   -7.0375
            37  C1x C     0.4420   -7.0401
            38  N1y N    -0.7875   -4.6750
            39  C1x C     0.4466   -3.9677
            40  C1x C    -0.3746   -3.9651
            41  C1x C    -1.5000   -5.0875
            42  C1x C    -1.5000   -5.9125
            43  C1b C    -1.3674   -4.0882
            44  C6a C    -2.1958   -4.0875
            45  C1b C     1.4332   -4.0915
            46  C1b C     1.4181   -6.9220
            47  C1b C    -1.3692   -6.9100
            48  C6a C    -2.1958   -6.9083
            49  C1c C     2.2417   -6.9208
            50  C6a C     2.2542   -4.0875
            51  O0  O    -2.6089   -4.8016 #-
            52  O6a O    -2.6078   -3.3727
            53  O0  O    -2.6069   -6.1930 #-
            54  O6a O    -2.6098   -7.6220
            55  C1a C     2.6552   -7.6347
            56  O1a O     2.6531   -6.2058
            57  O0  O     2.6702   -4.7999 #-
            58  O6a O     2.6632   -3.3710
            59  Z   Ca   -0.2875   -5.4625 #2+
BOND        56
            1     8  13 1
            2     5   6 1
            3    13  14 1
            4     6   7 1
            5     1  15 1
            6     7   2 1
            7    32  33 1
            8    33  34 1
            9    34  31 1
            10    2  16 1
            11    2   3 1
            12    5  17 1
            13   35  36 1
            14   36  37 1
            15   37  32 1
            16    3   4 1
            17   17  18 1
            18    4   1 1
            19   31  39 1
            20   39  40 1
            21   40  38 1
            22   16  19 1
            23    1   9 1
            24   41  42 1
            25   42  35 1
            26   38  41 1
            27   15  20 1
            28   38  43 1
            29    9  10 1
            30   43  44 1
            31   14  21 1
            32   31  45 1
            33   10   8 1
            34   32  46 1
            35   14  22 2
            36   35  47 1
            37   47  48 1
            38   18  23 1
            39   46  49 1
            40   45  50 1
            41   18  24 2
            42   44  51 1
            43   11  12 1
            44   44  52 2
            45   19  25 1
            46   48  53 1
            47   12   5 1
            48   48  54 2
            49   19  26 1
            50   49  55 1
            51    8  11 1
            52   49  56 1
            53   20  27 1
            54   50  57 1
            55   50  58 2
            56   20  28 2


entry: D03321
formula: C17H26N4O3S2. HCl
remark: Therapeutic category: 3122
comment: Component of Vitadan (TN)
name:
--- 
- Fursultiamine hydrochloride (JP15)
- Thiamine tetrahydrofurfuryl disulfide hydrochloride
- Alinaxin (TN)

kcf:
ATOM        27
            1   X   Cl   41.0245  -15.4025
            2   N5x N    24.7800  -14.6300
            3   C8y C    24.7800  -16.1000
            4   N5x N    25.9700  -16.8000
            5   C8y C    27.1600  -16.1000
            6   C8y C    27.1600  -14.6300
            7   C8x C    25.9700  -13.9300
            8   C1b C    28.4200  -13.9300
            9   N1c N    29.6100  -14.6300
            10  C2c C    30.8000  -13.9300
            11  C2c C    32.0600  -14.6300
            12  C1a C    23.5900  -16.8000
            13  C1a C    30.8000  -12.5300
            14  S3a S    34.4400  -14.6300
            15  S3a S    33.2500  -13.9300
            16  C4a C    29.6100  -16.0300
            17  C1b C    35.6300  -13.9300
            18  C1b C    32.0600  -16.0300
            19  C1b C    33.3200  -16.7300
            20  O1a O    33.3200  -18.0600
            21  O4a O    30.8700  -16.7300
            22  N1a N    28.4200  -16.8000
            23  C1y C    36.8200  -14.6300
            24  C1x C    36.8200  -16.0300
            25  C1x C    38.0800  -16.4500
            26  C1x C    38.9900  -15.4000
            27  O2x O    38.1500  -14.2100
BOND        27
            1     4   5 2
            2     3  12 1
            3     5   6 1
            4     6   7 2
            5     7   2 1
            6    10  13 1
            7     6   8 1
            8     8   9 1
            9     2   3 2
            10    9  10 1
            11   14  15 1
            12   15  11 1
            13    3   4 1
            14   10  11 2
            15    9  16 1
            16   14  17 1
            17   11  18 1
            18   18  19 1
            19   19  20 1
            20   16  21 2
            21    5  22 1
            22   17  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   23  27 1


entry: D03323
name: --- - Pregnandiol (JAN) - Diol (TN)
formula: C21H36O2
remark: Therapeutic category: 2479
kcf:
ATOM        23
            1   C1x C    24.9900  -17.4300
            2   C1y C    24.9900  -18.8300
            3   C1x C    26.2024  -19.5300
            4   C1y C    27.4149  -18.8300
            5   C1z C    27.4149  -17.4300
            6   C1x C    26.2024  -16.7300
            7   C1x C    28.6273  -19.5300
            8   C1x C    29.8397  -18.8300
            9   C1y C    29.8397  -17.4300
            10  C1y C    28.6273  -16.7300
            11  C1y C    31.0522  -16.7300
            12  C1z C    31.0522  -15.3300
            13  C1x C    29.8397  -14.6300
            14  C1x C    28.6273  -15.3300
            15  C1x C    33.4770  -16.7300
            16  C1x C    33.4770  -15.3300
            17  C1y C    32.2646  -14.6300
            18  C1c C    32.2646  -13.2300
            19  C1a C    33.4811  -12.5277
            20  O1a O    31.0562  -12.5323
            21  C1a C    31.0522  -13.9300
            22  C1a C    27.4149  -16.0300
            23  O1a O    23.7776  -19.5300
BOND        26
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1
            22   18  19 1
            23   18  20 1 #Up
            24   12  21 1 #Up
            25    5  22 1 #Up
            26    2  23 1 #Down


entry: D03324
remark: Therapeutic category: 3954
name:
--- 
- Nasaruplase (cell culture) (JAN)
- Prourokinase (plasminogen activator prolyse)
- Thrombolyse (TN)


entry: D03325
name: --- - Mometasone furoate hydrate (JAN)
formula: C27H30Cl2O6. H2O
remark: Therapeutic category: 2646
kcf:
ATOM        36
            1   C1z C    33.8100  -18.2700
            2   C1z C    32.6200  -18.9700
            3   C1y C    35.0000  -18.9700
            4   O7a O    35.0000  -17.6400
            5   C5a C    33.8100  -16.9400
            6   C1y C    32.6200  -20.3700
            7   C1x C    31.4300  -18.2700
            8   C1a C    32.6200  -17.5700
            9   C1x C    35.0000  -20.3700
            10  C1a C    36.3300  -19.3900
            11  C7a C    36.4000  -17.6400
            12  C1b C    35.0000  -16.2400
            13  O5a O    32.5500  -16.2400
            14  C1y C    31.4300  -21.0000
            15  C1y C    30.2400  -18.9700
            16  C8y C    37.0300  -16.3800
            17  O7a O    37.0300  -18.8300
            18  X   Cl   35.0000  -14.8400
            19  C1z C    30.2400  -20.3700
            20  C1x C    31.4300  -22.4000
            21  O1a O    29.0500  -18.2700
            22  C8x C    38.4300  -16.2400
            23  O2x O    36.4700  -15.1200
            24  C1z C    29.0500  -21.0000
            25  X   Cl   30.2400  -21.7000
            26  C1x C    30.2400  -23.1000
            27  C8x C    38.7100  -14.9100
            28  C8x C    37.5200  -14.2100
            29  C2y C    29.0500  -22.4000
            30  C2x C    27.8600  -20.3700
            31  C1a C    29.0500  -19.6700
            32  C2x C    27.8600  -23.1000
            33  C2x C    26.6700  -21.0000
            34  C5x C    26.6700  -22.4000
            35  O5x O    25.4800  -23.1000
            36  O0  O    42.5600  -20.2300
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    5  13 2
            13    6  14 1
            14    7  15 1
            15   11  16 1
            16   11  17 2
            17   12  18 1
            18   14  19 1
            19   14  20 1
            20   15  21 1 #Up
            21   16  22 2
            22   16  23 1
            23   19  24 1
            24   19  25 1 #Down
            25   20  26 1
            26   22  27 1
            27   23  28 1
            28   24  29 1
            29   24  30 1
            30   24  31 1 #Up
            31   29  32 2
            32   30  33 2
            33   32  34 1
            34   34  35 2
            35    6   9 1
            36   15  19 1
            37   26  29 1
            38   27  28 2
            39   33  34 1


entry: D03334
activity: Gonad-stimulating principle
remark: Therapeutic category: 2413
name:
--- 
- Chorionic Gonadotrophin (JP15)
- Gonadotrophin, chorionic (JAN)
- Gonadotropin, chorionic (USP)
- A.P.L. (TN)
- HCG


entry: D03335
activity: Plasma volume extender; Electrolyte combination; Leukopheresis adjunct [red cell sedimenting agent]
remark: Therapeutic category: 3319
name:
--- 
- Hydroxyethylated starch (JAN)
- Hetastarch (USAN)
- Pentalyte (USAN)
- Pentastarch (USAN)
- Hespan (TN)
- Tis-U-Sol (TN)
- Pentaspan (TN)


entry: D03338
name: --- - Calusterone (USAN)
formula: C21H32O2
activity: Antineoplastic
kcf:
ATOM        23
            1   C1x C    15.0932  -15.4860
            2   C5x C    15.0932  -16.8474
            3   C2x C    16.2722  -17.5280
            4   C2y C    17.4511  -16.8474
            5   C1z C    17.4511  -15.4860
            6   C1x C    16.2722  -14.8053
            7   C1x C    18.6300  -17.5280
            8   C1y C    19.8089  -16.8474
            9   C1y C    19.8089  -15.4860
            10  C1y C    18.6300  -14.8053
            11  C1y C    20.9880  -14.8053
            12  C1z C    20.9880  -13.4440
            13  C1x C    19.8089  -12.7634
            14  C1x C    18.6300  -13.4440
            15  C1x C    23.3457  -14.8053
            16  C1x C    23.3457  -13.4440
            17  C1z C    22.1668  -12.7634
            18  C1a C    21.0150  -12.0828
            19  O1a O    22.1720  -11.4021
            20  O5x O    13.8726  -17.5524
            21  C1a C    17.4481  -14.0854
            22  C1a C    23.4733  -12.4040
            23  C1a C    21.0319  -17.5533
BOND        26
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23    2  20 2
            24    5  21 1 #Up
            25   17  22 1 #Down
            26    8  23 1 #Up


entry: D03340
name: --- - Cambendazole (USAN) - Camdan (TN)
formula: C14H14N4O2S
activity: Anthelmintic
remark: Therapeutic category: 6249
kcf:
ATOM        21
            1   C8y C    16.0992  -14.4900
            2   C8y C    14.6915  -14.4900
            3   N4x N    16.9168  -15.6232
            4   N5x N    16.9168  -13.3568
            5   C8x C    13.8620  -13.3568
            6   N5x N    13.8620  -15.6232
            7   C8y C    18.2488  -15.1793
            8   C8y C    18.2488  -13.8007
            9   S2x S    12.5243  -13.8007
            10  C8x C    12.5243  -15.1793
            11  C8x C    19.4694  -15.8802
            12  C8x C    19.4694  -13.0940
            13  C8y C    20.6845  -15.1793
            14  C8x C    20.6845  -13.8007
            15  N1b N    21.8751  -15.8675
            16  C7a C    23.1037  -15.1585
            17  O7a O    24.3268  -15.8646
            18  O7a O    23.1037  -13.7900
            19  C1c C    25.5524  -15.1564
            20  C1a C    26.7777  -15.8629
            21  C1a C    25.5518  -13.7900
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    8  12 1
            12   11  13 2
            13   12  14 2
            14    7   8 2
            15    9  10 1
            16   13  14 1
            17   13  15 1
            18   15  16 1
            19   16  17 1
            20   16  18 2
            21   17  19 1
            22   19  20 1
            23   19  21 1


entry: D03342
name: --- - Camiglibose (USAN)
formula: (C13H25NO9)2. 3H2O
activity: Antidiabetic
kcf:
ATOM        49
            1   O0  O    17.7238   -7.6692
            2   C1y C     8.1200   -9.4500
            3   C1y C     8.1200  -10.8500
            4   C1y C     9.3100  -11.5500
            5   C1y C    10.5000  -10.8500
            6   C1y C    10.5000   -9.4500
            7   O2x O     9.3100   -8.7500
            8   O2a O    11.7600   -8.6800
            9   O1a O    11.7600  -11.5500
            10  O1a O     6.8600  -11.5500
            11  O1a O     9.3100  -12.8800
            12  C1b C     6.8600   -8.7500
            13  C1a C    12.9500   -9.3800
            14  N1y N     6.8600   -7.3500
            15  C1x C     8.1200   -6.6500
            16  C1y C     8.1200   -5.2500
            17  C1y C     6.9300   -4.5500
            18  C1y C     5.6700   -5.2500
            19  C1y C     5.6700   -6.6500
            20  O1a O     9.3100   -4.5500
            21  O1a O     4.4100   -4.5500
            22  O1a O     6.9300   -3.1500
            23  C1b C     4.4800   -7.3500
            24  O1a O     3.2200   -6.6500
            25  O0  O    17.7238   -7.6692
            26  O0  O    17.7238   -7.6692
            27  C1y C     8.1200   -9.4500
            28  C1y C     8.1200  -10.8500
            29  C1y C     9.3100  -11.5500
            30  C1y C    10.5000  -10.8500
            31  C1y C    10.5000   -9.4500
            32  O2x O     9.3100   -8.7500
            33  O2a O    11.7600   -8.6800
            34  C1a C    12.9500   -9.3800
            35  O1a O    11.7600  -11.5500
            36  O1a O     9.3100  -12.8800
            37  O1a O     6.8600  -11.5500
            38  C1b C     6.8600   -8.7500
            39  N1y N     6.8600   -7.3500
            40  C1x C     8.1200   -6.6500
            41  C1y C     8.1200   -5.2500
            42  C1y C     6.9300   -4.5500
            43  C1y C     5.6700   -5.2500
            44  C1y C     5.6700   -6.6500
            45  C1b C     4.4800   -7.3500
            46  O1a O     3.2200   -6.6500
            47  O1a O     4.4100   -4.5500
            48  O1a O     6.9300   -3.1500
            49  O1a O     9.3100   -4.5500
BOND        48
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     6   8 1 #Down
            8     5   9 1 #Down
            9     3  10 1 #Down
            10    4  11 1 #Up
            11    2  12 1 #Up
            12    8  13 1
            13   12  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   14  19 1
            20   16  20 1 #Up
            21   18  21 1 #Up
            22   17  22 1 #Down
            23   19  23 1 #Down
            24   23  24 1
            25   27  28 1
            26   28  29 1
            27   29  30 1
            28   30  31 1
            29   31  32 1
            30   27  32 1
            31   31  33 1 #Down
            32   30  35 1 #Down
            33   28  37 1 #Down
            34   29  36 1 #Up
            35   27  38 1 #Up
            36   33  34 1
            37   38  39 1
            38   39  40 1
            39   40  41 1
            40   41  42 1
            41   42  43 1
            42   43  44 1
            43   39  44 1
            44   41  49 1 #Up
            45   43  47 1 #Up
            46   42  48 1 #Down
            47   44  45 1 #Down
            48   45  46 1


entry: D03349
name: --- - Candoxatrilat (USAN)
formula: C20H33NO7
activity: Antihypertensive
remark: Therapeutic category: 2149
kcf:
ATOM        28
            1   C1z C    28.2307  -14.7800
            2   C1x C    29.3701  -13.9670
            3   C1x C    28.9450  -12.6291
            4   C1x C    27.5415  -12.6211
            5   C1x C    27.1036  -13.9505
            6   O2a O    24.6054  -12.6625
            7   C1b C    25.8139  -13.3684
            8   C1c C    25.8068  -14.7678
            9   C1b C    27.0152  -15.4737
            10  C6a C    24.5912  -15.4615
            11  O6a O    23.3829  -14.7556
            12  O6a O    24.5842  -16.8610
            13  C5a C    29.4392  -15.4859
            14  N1b N    30.6546  -14.7923
            15  O5a O    29.5020  -16.8854
            16  C1y C    31.8630  -15.4981
            17  C1x C    31.8498  -16.8971
            18  C1x C    33.0583  -17.6032
            19  C1y C    34.2738  -16.9095
            20  C1x C    34.2809  -15.5100
            21  C1x C    33.0723  -14.8041
            22  C6a C    35.4822  -17.6154
            23  C1b C    23.4129  -13.3435
            24  C1b C    22.1917  -12.6304
            25  O2a O    20.9878  -13.3172
            26  C1a C    19.7810  -12.6121
            27  O6a O    36.6935  -16.9243
            28  O6a O    35.4747  -19.0402
BOND        29
            1     4   5 1
            2    16  14 1 #Up
            3     6   7 1
            4     5   1 1
            5     8   7 1 #Down
            6     8   9 1
            7    16  17 1
            8    17  18 1
            9    18  19 1
            10   19  20 1
            11   20  21 1
            12   21  16 1
            13    1   2 1
            14   19  22 1 #Up
            15    8  10 1
            16   10  11 1
            17    2   3 1
            18   10  12 2
            19    9   1 1
            20    1  13 1
            21    3   4 1
            22   13  14 1
            23   13  15 2
            24    6  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   22  27 1
            29   22  28 2


entry: D03350
name: --- - Canertinib dihydrochloride (USAN)
formula: C24H25ClFN5O3. 2HCl
activity: Treatment of epithelial tumors
kcf:
ATOM        36
            1   C8x C    11.9862  -10.9580
            2   N5x N    11.9862  -12.3569
            3   C8y C    13.1977  -13.0564
            4   C8y C    14.4092  -12.3569
            5   C8y C    14.4092  -10.9580
            6   N5x N    13.1977  -10.2586
            7   C8x C    15.6207  -13.0564
            8   C8y C    16.8322  -12.3569
            9   C8y C    16.8322  -10.9580
            10  C8x C    15.6207  -10.2586
            11  N1b N    13.1977  -14.4554
            12  O2a O    18.0464   -9.9070
            13  C1b C    19.2598  -10.6076
            14  N1b N    18.0464  -13.4079
            15  C5a C    19.2598  -12.7073
            16  C2b C    20.4720  -13.4064
            17  C2a C    21.6836  -12.7069
            18  C8y C    14.4099  -15.1552
            19  C8x C    14.4099  -16.5537
            20  C8y C    15.6214  -17.2532
            21  C8y C    16.8328  -16.5537
            22  C8x C    16.8328  -15.1552
            23  C8x C    15.6214  -14.4558
            24  X   F    18.0466  -17.2544
            25  X   Cl   15.6214  -18.6579
            26  C1b C    20.4509   -9.9204
            27  C1b C    21.6633  -10.6209
            28  N1y N    22.8427   -9.9404
            29  C1x C    24.0376  -10.6310
            30  C1x C    25.2503   -9.9315
            31  O2x O    25.2509   -8.5315
            32  C1x C    24.0560   -7.8409
            33  C1x C    22.8432   -8.5404
            34  O5a O    19.2593  -11.3400
            35  X   Cl   27.1600  -14.9800
            36  X   Cl   27.1600  -14.9800
BOND        37
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    3  11 1
            13    9  12 1
            14   12  13 1
            15    8  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   11  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   21  24 1
            27   20  25 1
            28   13  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   28  33 1
            37   15  34 2


entry: D03351
name: --- - Canfosfamide hydrochloride (USAN) - Telcyta (TN)
formula: C26H40Cl4N5O10PS. HCl
activity: Antineoplastic [actived by glutathione S-transferase (GST P1-1)]
kcf:
ATOM        48
            1   C1c C    25.6477  -14.4991
            2   C8y C    26.8430  -13.8087
            3   C6a C    24.4105  -13.7849
            4   O6a O    23.2106  -14.4779
            5   O6a O    16.0770  -19.0033
            6   C6a C    17.2734  -18.3125
            7   C1c C    18.4701  -19.0033
            8   C1b C    19.6665  -18.3125
            9   C1b C    20.8630  -19.0033
            10  C5a C    22.0595  -18.3125
            11  N1b N    23.2560  -19.0033
            12  C1c C    24.4524  -18.3125
            13  C1b C    25.6490  -19.0033
            14  S4a S    26.8454  -18.3125
            15  C1b C    28.0420  -19.0033
            16  C1b C    29.2384  -18.3125
            17  O2b O    30.4348  -19.0033
            18  O6a O    17.2734  -16.9311
            19  N1a N    18.4701  -20.3846
            20  O5a O    22.0595  -16.9312
            21  C5a C    24.4519  -16.5902
            22  O5a O    23.2228  -15.8810
            23  N1b N    25.6477  -15.8991
            24  C8x C    28.0228  -14.4894
            25  C8x C    29.2350  -13.7892
            26  C8x C    29.2347  -12.3892
            27  C8x C    28.0550  -11.7084
            28  C8x C    26.8427  -12.4087
            29  O6a O    24.4105  -12.3901
            30  P1a P    31.6732  -18.2889
            31  O3c O    27.8353  -17.3225
            32  O3c O    25.8554  -17.3225
            33  N1c N    32.8856  -17.5889
            34  N1c N    32.3560  -19.4730
            35  O3b O    30.9574  -17.0477
            36  C1b C    33.7399  -19.4736
            37  C1b C    31.6571  -20.6822
            38  C1b C    34.4336  -20.6761
            39  X   Cl   35.8397  -20.6768
            40  C1b C    30.2404  -20.6819
            41  X   Cl   29.5536  -21.8702
            42  C1b C    34.1005  -18.2904
            43  C1b C    35.3137  -17.5899
            44  C1b C    32.8854  -16.1701
            45  X   Cl   36.4922  -18.2704
            46  C1b C    34.1087  -15.4636
            47  X   Cl   34.1085  -14.0701
            48  X   Cl   18.0600  -14.1400
BOND        47
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16    6  18 2
            17    7  19 1 #Down
            18   10  20 2
            19   12  21 1 #Up
            20   21  22 2
            21   21  23 1
            22    1  23 1 #Up
            23    2  24 2
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   27  28 2
            28    2  28 1
            29    3  29 2
            30   17  30 1
            31   14  31 2
            32   14  32 2
            33   30  33 1
            34   30  34 1
            35   30  35 2
            36   34  36 1
            37   34  37 1
            38   36  38 1
            39   38  39 1
            40   37  40 1
            41   40  41 1
            42   33  42 1
            43   42  43 1
            44   33  44 1
            45   43  45 1
            46   44  46 1
            47   46  47 1


entry: D03355
name: --- - Meglumine gadoterate (JAN) - Magnescope (TN)
formula: C16H25N4O8. C7H17NO5. Gd
remark: Therapeutic category: 7290
kcf:
ATOM        42
            1   O0  O    14.7000  -19.6000 #-
            2   C6a C    15.4000  -20.8600
            3   C1b C    16.8000  -20.8600
            4   N1y N    17.5000  -19.6000
            5   C1b C    21.0000  -20.8600
            6   C6a C    22.4000  -20.8600
            7   O6a O    23.1000  -19.6700
            8   N1y N    20.3000  -19.6700
            9   N1y N    17.5000  -16.8000
            10  C1b C    16.8000  -15.6100
            11  C6a C    15.4000  -15.6100
            12  O0  O    14.7000  -16.8000 #-
            13  O0  O    23.1000  -16.8000 #-
            14  C6a C    22.4000  -15.6100
            15  C1b C    21.0000  -15.6100
            16  N1y N    20.3000  -16.8000
            17  C1x C    21.4900  -18.9700
            18  C1x C    21.4900  -17.5700
            19  C1x C    18.2000  -20.8600
            20  C1x C    19.6000  -20.8600
            21  C1x C    16.2400  -17.5000
            22  C1x C    16.2400  -18.9000
            23  C1x C    19.6000  -15.6100
            24  C1x C    18.2000  -15.6100
            25  O6a O    23.1000  -14.4200
            26  O6a O    23.1000  -22.0500
            27  O6a O    14.7000  -22.0500
            28  O6a O    14.7000  -14.4200
            29  Z   Gd   26.4600  -18.4800 #3+
            30  C1a C    33.8100  -18.6900
            31  N1b N    35.0224  -17.9900
            32  C1b C    36.2349  -18.6900
            33  C1c C    37.4473  -17.9900
            34  C1c C    38.6597  -18.6900
            35  C1c C    39.8722  -17.9900
            36  C1c C    41.0846  -18.6900
            37  C1b C    42.2970  -17.9900
            38  O1a O    37.4473  -16.5900
            39  O1a O    38.6597  -20.0899
            40  O1a O    39.8722  -16.5903
            41  O1a O    41.0846  -20.0900
            42  O1a O    43.4966  -18.6827
BOND        40
            1    15  16 1
            2     3   4 1
            3     8  17 1
            4    17  18 1
            5    18  16 1
            6     1   2 1
            7     4  19 1
            8    19  20 1
            9    20   8 1
            10    9  10 1
            11   10  11 1
            12   21  22 1
            13   22   4 1
            14    9  21 1
            15   11  12 1
            16    2   3 1
            17   16  23 1
            18   23  24 1
            19   24   9 1
            20    5   6 1
            21   14  25 2
            22    6   7 1
            23    6  26 2
            24    8   5 1
            25    2  27 2
            26   13  14 1
            27   11  28 2
            28   14  15 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   33  38 1 #Down
            37   34  39 1 #Down
            38   35  40 1 #Down
            39   36  41 1 #Up
            40   37  42 1


entry: D03359
name: --- - Cangrelor (USAN)
formula: C17H25Cl2F3N5O12P3S2
activity: Anti-platelet agent
comment: platelet aggregation inhibitor
kcf:
ATOM        44
            1   N4y N    27.3527  -11.4269
            2   C8y C    28.3398  -12.2820
            3   C1y C    26.0452  -11.8472
            4   C8x C    27.9641  -10.0815
            5   C8y C    29.6413  -11.5286
            6   N5x N    28.3255  -13.7364
            7   O2x O    24.9243  -11.0066
            8   C1y C    25.6249  -13.1082
            9   N5x N    29.3987  -10.2815
            10  C8y C    30.8357  -12.2195
            11  C8y C    29.5662  -14.4324
            12  C1y C    23.8036  -11.8006
            13  C1y C    24.2704  -13.1082
            14  O1a O    26.4187  -14.2289
            15  N5x N    30.8678  -13.6789
            16  N1b N    32.0393  -11.5026
            17  C1b C    22.4958  -11.3803
            18  O1a O    23.8036  -14.4158
            19  O2b O    21.4684  -12.3143
            20  P1b P    20.0674  -12.3143
            21  O2c O    18.6664  -12.3143
            22  O1c O    20.0674  -13.7153
            23  O3b O    20.0674  -10.9132
            24  P1b P    17.2654  -12.3143
            25  C1d C    15.8643  -12.3143
            26  O1c O    17.2654  -13.7153
            27  O3b O    17.2654  -10.9132
            28  P1b P    14.4634  -12.3143
            29  O1c O    14.4634  -13.7153
            30  O1c O    13.0624  -12.2675
            31  O3b O    14.4634  -10.9132
            32  X   Cl   15.8637  -10.9492
            33  X   Cl   15.8651  -13.7485
            34  C1b C    33.2515  -12.1809
            35  C1b C    34.4172  -11.4869
            36  S2a S    35.6392  -12.1705
            37  C1a C    36.8177  -11.4685
            38  S2a S    29.5060  -15.8220
            39  C1b C    30.7366  -16.5212
            40  C1b C    31.9397  -15.8153
            41  C1d C    33.1440  -16.4996
            42  X   F    34.3564  -17.1996
            43  X   F    33.8221  -15.3147
            44  X   F    32.4315  -17.7446
BOND        46
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31    5   9 1
            32   11  15 1
            33   12  13 1
            34   25  32 1
            35   25  33 1
            36   16  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   11  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   41  43 1
            46   41  44 1


entry: D03360
name: --- - Diphenhydramine laurylsulfate (JAN) - Vena (TN)
formula: C17H21NO. C12H26O4S
remark: Therapeutic category: 2642
kcf:
ATOM        36
            1   C1a C    35.9088  -16.6594
            2   C1b C    34.7188  -15.9594
            3   C1b C    33.5288  -16.6594
            4   C1b C    32.2689  -15.9594
            5   O2a O    31.0789  -16.6594
            6   S4a S    29.6790  -16.6594
            7   O3c O    29.6790  -18.0593
            8   O1d O    28.2790  -16.6594
            9   O3c O    29.6790  -15.2594
            10  C1c C    19.9047  -16.7256
            11  C8y C    18.6939  -17.4299
            12  C8y C    21.1215  -17.4299
            13  O2a O    19.9106  -15.3284
            14  C8x C    18.6939  -18.8330
            15  C8x C    17.4830  -16.7256
            16  C8x C    21.1158  -18.8330
            17  C8x C    22.3265  -16.7256
            18  C1b C    21.1215  -14.6240
            19  C8x C    17.4830  -19.5256
            20  C8x C    16.2662  -17.4299
            21  C8x C    22.3265  -19.5256
            22  C8x C    23.5432  -17.4299
            23  C8x C    16.2662  -18.8330
            24  C8x C    23.5373  -18.8330
            25  C1b C    22.3574  -15.3350
            26  N1c N    23.5539  -14.6416
            27  C1a C    24.7432  -15.3257
            28  C1a C    23.5517  -13.2327
            29  C1b C    33.5288  -16.6594
            30  C1b C    32.2689  -15.9594
            31  C1b C    33.5288  -16.6594
            32  C1b C    32.2689  -15.9594
            33  C1b C    33.5288  -16.6594
            34  C1b C    32.2689  -15.9594
            35  C1b C    33.5288  -16.6594
            36  C1b C    32.2689  -15.9594
BOND        36
            1     1   2 1
            2     5   6 1
            3     6   7 2
            4     6   8 1
            5     6   9 2
            6    14  19 2
            7    15  20 1
            8    16  21 1
            9    17  22 2
            10   19  23 1
            11   21  24 2
            12   20  23 2
            13   22  24 1
            14   10  11 1
            15   10  12 1
            16   10  13 1
            17   11  14 1
            18   11  15 2
            19   12  16 2
            20   12  17 1
            21   13  18 1
            22   18  25 1
            23   25  26 1
            24   26  27 1
            25   26  28 1
            26    4   5 1
            27    3   4 1
            28    3  30 1
            29   29  30 1
            30   29  32 1
            31   31  32 1
            32   31  34 1
            33   33  34 1
            34   33  36 1
            35   35  36 1
            36   35   2 1


entry: D03361
name: --- - Cangrelor tetrasodium (USAN)
formula: C17H21Cl2F3N5O12P3S2. 4Na
activity: Anti-platelet agent
comment: platelet aggregation inhibitor
kcf:
ATOM        48
            1   N4y N    27.3303  -12.2168
            2   C8y C    28.3405  -13.0462
            3   C1y C    26.0205  -12.6378
            4   C8x C    27.9061  -10.8526
            5   C8y C    29.6239  -12.2573
            6   N5x N    28.3646  -14.5030
            7   O2x O    24.8977  -11.7958
            8   C1y C    25.5995  -13.9010
            9   N5x N    29.3480  -11.0149
            10  C8y C    30.8382  -12.9876
            11  C8y C    29.6255  -15.1671
            12  C1y C    23.7750  -12.5911
            13  C1y C    24.2426  -13.9010
            14  O1a O    26.3947  -15.0237
            15  N5x N    30.8390  -14.5882
            16  N1b N    32.0245  -12.2379
            17  C1b C    22.4650  -12.1701
            18  O1a O    23.7750  -15.2109
            19  O2b O    21.4358  -13.1057
            20  P1b P    20.0323  -13.1057
            21  O2c O    18.6289  -13.1057
            22  O0  O    20.0323  -14.5092 #-
            23  O3b O    20.0323  -11.7022
            24  P1b P    17.2255  -13.1057
            25  C1d C    15.8219  -13.1057
            26  O0  O    17.2255  -14.5092 #-
            27  O3b O    17.2255  -11.7022
            28  P1b P    14.4186  -13.1057
            29  O0  O    14.4186  -14.5092 #-
            30  O0  O    13.0151  -13.0589 #-
            31  O3b O    14.4186  -11.7022
            32  X   Cl   15.8213  -11.7383
            33  X   Cl   15.8227  -14.5424
            34  C1b C    33.2564  -12.8851
            35  C1b C    34.4053  -12.1593
            36  S2a S    35.6471  -12.8115
            37  C1a C    36.8087  -12.0774
            38  S2a S    29.6019  -16.5603
            39  C1b C    30.8527  -17.2279
            40  C1b C    32.0388  -16.4892
            41  C1d C    33.2629  -17.1426
            42  X   F    34.4955  -17.8115
            43  X   F    33.9106  -15.9381
            44  X   F    32.5824  -18.4082
            45  Z   Na   16.6600  -16.8700 #+
            46  Z   Na   16.6600  -16.8700 #+
            47  Z   Na   16.6600  -16.8700 #+
            48  Z   Na   16.6600  -16.8700 #+
BOND        46
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31    5   9 1
            32   11  15 1
            33   12  13 1
            34   25  32 1
            35   25  33 1
            36   16  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   11  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   41  43 1
            46   41  44 1


entry: D03363
name: --- - Canrenone (USAN)
formula: C22H28O3
activity: Aldosterone antagonist
kcf:
ATOM        25
            1   C1x C    30.2137  -20.7099
            2   C5x C    30.2137  -22.0644
            3   C2x C    31.3867  -22.7416
            4   C2y C    32.5597  -22.0644
            5   C1z C    32.5597  -20.7099
            6   C1x C    31.3867  -20.0325
            7   C2x C    33.7328  -22.7416
            8   C2x C    34.9059  -22.0644
            9   C1y C    34.9059  -20.7099
            10  C1y C    33.7328  -20.0325
            11  C1y C    36.0789  -20.0325
            12  C1z C    36.0789  -18.6781
            13  C1x C    34.9059  -18.0008
            14  C1x C    33.7328  -18.6781
            15  C1x C    38.4250  -20.0325
            16  C1x C    38.4250  -18.6781
            17  C1z C    37.2520  -18.0008
            18  C1a C    36.0801  -17.2843
            19  C1a C    32.5409  -19.3333
            20  O5x O    28.9957  -22.7675
            21  O7x O    38.6479  -18.0008
            22  C7x C    39.0793  -16.6732
            23  C1x C    37.9500  -15.8527
            24  C1x C    36.8207  -16.6732
            25  O7x O    40.3970  -16.2448
BOND        29
            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 2
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22    5  19 1 #Up
            23    2  20 2
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   17  24 1 #Down
            28   17  21 1 #Up
            29   22  25 2


entry: D03364
name: --- - Cantuzumab mertansine (USAN)
formula: C35H46CIN3O10S
activity:
Treatment of colorectal cancer, pancreatic cancer and other solid tumor types that express the C242 antigen


entry: D03365
name: --- - Nicotine (USP) - Habitrol (TN)
formula: C10H14N2
activity: Smoking cessation adjunct
remark: Same as: C00745 Therapeutic category: 7990
kcf:
ATOM        12
            1   C8x C    27.9300  -19.0400
            2   C8x C    27.9300  -20.4400
            3   N5x N    29.1424  -21.1400
            4   C8x C    30.3549  -20.4400
            5   C8y C    30.3549  -19.0400
            6   C8x C    29.1424  -18.3400
            7   C1y C    31.5860  -18.3290
            8   C1x C    32.8556  -18.8942
            9   C1x C    33.7855  -17.8613
            10  C1x C    33.0906  -16.6578
            11  N1y N    31.7312  -16.9468
            12  C1a C    30.6758  -15.9964
BOND        13
            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   5 1 #Up
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 1
            13   11  12 1


entry: D03366
name: --- - Egualen sodium (JAN) - Azuloxa (TN)
formula: (C15H17O3S. Na)3. H2O
remark: Therapeutic category: 2323
kcf:
ATOM        61
            1   O0  O    38.4222  -15.5262
            2   C8x C    28.9800  -18.2000
            3   C8y C    28.1400  -17.0800
            4   C8y C    28.4900  -15.6800
            5   C8x C    29.7500  -15.1200
            6   C8x C    30.3800  -18.2000
            7   C8y C    31.0100  -15.7500
            8   C8x C    31.3600  -17.1500
            9   C8y C    27.3000  -14.9800
            10  C8x C    26.2500  -15.8200
            11  C8y C    26.7400  -17.0800
            12  C1c C    32.2700  -14.9800
            13  C1a C    33.4600  -15.6800
            14  C1b C    25.9700  -18.2000
            15  C1a C    24.5700  -18.2000
            16  S4a S    27.3000  -13.5800
            17  O0  O    27.3000  -12.1800 #-
            18  O3c O    25.9000  -13.5800
            19  O3c O    28.7000  -13.5800
            20  C1a C    32.2700  -13.6500
            21  Z   Na   28.9800  -12.2500 #+
            22  C8x C    28.9800  -18.2000
            23  C8x C    30.3800  -18.2000
            24  C8x C    31.3600  -17.1500
            25  C8y C    31.0100  -15.7500
            26  C8x C    29.7500  -15.1200
            27  C8y C    28.4900  -15.6800
            28  C8y C    28.1400  -17.0800
            29  C8y C    26.7400  -17.0800
            30  C8x C    26.2500  -15.8200
            31  C8y C    27.3000  -14.9800
            32  S4a S    27.3000  -13.5800
            33  O0  O    27.3000  -12.1800 #-
            34  O3c O    25.9000  -13.5800
            35  O3c O    28.7000  -13.5800
            36  C1b C    25.9700  -18.2000
            37  C1a C    24.5700  -18.2000
            38  C1c C    32.2700  -14.9800
            39  C1a C    33.4600  -15.6800
            40  C1a C    32.2700  -13.6500
            41  Z   Na   28.9800  -12.2500 #+
            42  C8x C    28.9800  -18.2000
            43  C8x C    30.3800  -18.2000
            44  C8x C    31.3600  -17.1500
            45  C8y C    31.0100  -15.7500
            46  C8x C    29.7500  -15.1200
            47  C8y C    28.4900  -15.6800
            48  C8y C    28.1400  -17.0800
            49  C8y C    26.7400  -17.0800
            50  C8x C    26.2500  -15.8200
            51  C8y C    27.3000  -14.9800
            52  S4a S    27.3000  -13.5800
            53  O0  O    27.3000  -12.1800 #-
            54  O3c O    25.9000  -13.5800
            55  O3c O    28.7000  -13.5800
            56  C1b C    25.9700  -18.2000
            57  C1a C    24.5700  -18.2000
            58  C1c C    32.2700  -14.9800
            59  C1a C    33.4600  -15.6800
            60  C1a C    32.2700  -13.6500
            61  Z   Na   28.9800  -12.2500 #+
BOND        60
            1     4   5 2
            2     2   6 2
            3     5   7 1
            4     3   4 1
            5     6   8 1
            6     2   3 1
            7     7   8 2
            8     4   9 1
            9     9  10 2
            10   10  11 1
            11    3  11 2
            12    7  12 1
            13   12  13 1
            14   11  14 1
            15   14  15 1
            16    9  16 1
            17   16  17 1
            18   16  18 2
            19   16  19 2
            20   12  20 1
            21   27  26 2
            22   22  23 2
            23   26  25 1
            24   28  27 1
            25   23  24 1
            26   22  28 1
            27   25  24 2
            28   27  31 1
            29   31  30 2
            30   30  29 1
            31   28  29 2
            32   25  38 1
            33   38  39 1
            34   29  36 1
            35   36  37 1
            36   31  32 1
            37   32  33 1
            38   32  34 2
            39   32  35 2
            40   38  40 1
            41   47  46 2
            42   42  43 2
            43   46  45 1
            44   48  47 1
            45   43  44 1
            46   42  48 1
            47   45  44 2
            48   47  51 1
            49   51  50 2
            50   50  49 1
            51   48  49 2
            52   45  58 1
            53   58  59 1
            54   49  56 1
            55   56  57 1
            56   51  52 1
            57   52  53 1
            58   52  54 2
            59   52  55 2
            60   58  60 1


entry: D03367
name: --- - Capobenate sodium (USAN)
formula: C16H22NO6. Na
activity: Cardiac depressant [anti-arrhythmic]
kcf:
ATOM        24
            1   C8x C    28.4200  -18.2700
            2   C8y C    28.4200  -19.6700
            3   C8x C    27.2300  -20.3700
            4   C8y C    26.0400  -19.6700
            5   C8y C    26.0400  -18.2700
            6   C8y C    27.2300  -17.5700
            7   C5a C    29.6100  -20.3700
            8   N1b N    30.8000  -19.6700
            9   C1b C    32.0600  -20.3700
            10  C1b C    33.2500  -19.6700
            11  O2a O    27.2300  -16.1700
            12  C1a C    28.4200  -15.4700
            13  O2a O    24.7800  -17.5700
            14  C1a C    24.7800  -16.1700
            15  O2a O    24.7800  -20.3700
            16  C1a C    23.5900  -19.6700
            17  O5a O    29.6100  -21.7700
            18  C1b C    34.4400  -20.3700
            19  C1b C    35.6300  -19.6700
            20  C1b C    36.8900  -20.3700
            21  C6a C    38.0800  -19.6700
            22  O0  O    39.2700  -20.3700 #-
            23  O6a O    38.0800  -18.2700
            24  Z   Na   42.2100  -20.4400 #+
BOND        23
            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     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    6  11 1
            12   11  12 1
            13    5  13 1
            14   13  14 1
            15    4  15 1
            16   15  16 1
            17    7  17 2
            18   10  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   21  23 2


entry: D03368
name: --- - Calcium para-aminosalicylate (JP15) - Nippas calcium (TN)
formula: (C7H5NO3. Ca)2. 7H2O
remark: Therapeutic category: 6221
kcf:
ATOM        31
            1   C8x C    22.2091  -18.4354
            2   C8y C    22.2020  -17.0354
            3   C8y C    20.9861  -16.3415
            4   C8x C    19.7772  -17.0477
            5   C8x C    19.7843  -18.4477
            6   C8y C    21.0002  -19.1415
            7   C6a C    20.9790  -14.9415
            8   O0  O    22.1879  -14.2354 #-
            9   O6a O    19.7631  -14.2477
            10  O0  O    23.4109  -16.3293 #-
            11  N1a N    21.0073  -20.5415
            12  Z   Ca   24.6909  -14.2638 #2+
            13  O0  O    31.1295  -17.4456
            14  O0  O    31.1295  -17.4456
            15  O0  O    31.1295  -17.4456
            16  O0  O    31.1295  -17.4456
            17  O0  O    31.1295  -17.4456
            18  O0  O    31.1295  -17.4456
            19  O0  O    31.1295  -17.4456
            20  C8x C    22.2091  -18.4354
            21  C8y C    22.2020  -17.0354
            22  O0  O    23.4109  -16.3293 #-
            23  C8y C    20.9861  -16.3415
            24  C6a C    20.9790  -14.9415
            25  O0  O    22.1879  -14.2354 #-
            26  O6a O    19.7631  -14.2477
            27  C8x C    19.7772  -17.0477
            28  C8x C    19.7843  -18.4477
            29  C8y C    21.0002  -19.1415
            30  N1a N    21.0073  -20.5415
            31  Z   Ca   24.6909  -14.2638 #2+
BOND        22
            1     3   7 1
            2     7   8 1
            3     7   9 2
            4     1   2 2
            5     2  10 1
            6     2   3 1
            7     6  11 1
            8     3   4 2
            9     4   5 1
            10    5   6 2
            11    6   1 1
            12   23  24 1
            13   24  25 1
            14   24  26 2
            15   20  21 2
            16   21  22 1
            17   21  23 1
            18   29  30 1
            19   23  27 2
            20   27  28 1
            21   28  29 2
            22   29  20 1


entry: D03369
name: --- - Capobenic acid (USAN)
formula: C16H23NO6
activity: Cardiac depressant [anti-arrhythmic]
kcf:
ATOM        23
            1   C8x C    31.0100  -18.2700
            2   C8y C    31.0100  -19.6700
            3   C8x C    29.8200  -20.3700
            4   C8y C    28.6300  -19.6700
            5   C8y C    28.6300  -18.2700
            6   C8y C    29.8200  -17.5700
            7   C5a C    32.2000  -20.3700
            8   N1b N    33.3900  -19.6700
            9   C1b C    34.6500  -20.3700
            10  C1b C    35.8400  -19.6700
            11  O2a O    29.8200  -16.1700
            12  C1a C    31.0100  -15.4700
            13  O2a O    27.3700  -17.5700
            14  C1a C    27.3700  -16.1700
            15  O2a O    27.3700  -20.3700
            16  C1a C    26.1800  -19.6700
            17  O5a O    32.2000  -21.7700
            18  C1b C    37.0300  -20.3700
            19  C1b C    38.2200  -19.6700
            20  C1b C    39.4800  -20.3700
            21  C6a C    40.6700  -19.6700
            22  O6a O    41.8600  -20.3700
            23  O6a O    40.6700  -18.2700
BOND        23
            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     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    6  11 1
            12   11  12 1
            13    5  13 1
            14   13  14 1
            15    4  15 1
            16   15  16 1
            17    7  17 2
            18   10  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   21  23 2


entry: D03370
remark: Therapeutic category: 7123
name:
--- 
- Macrogol 400 (JP15)
- Macrogol 1500 (JP15)
- Macrogol 4000 (JP15)
- Macrogol 6000 (JP15)
- Macrogol 20000 (JP15)
- Polyethylene glycol (NF)
- Polyethylene oxide (NF)
- PEG
- Lutrol E (TN)

activity:
Pharmaceutic aid [ointment base]; Pharmaceutic aid [suppository base]; Pharmaceutic aid [solvent]; Pharmaceutic aid [tablet excipient]; Pharmaceutic aid [tablet and/or capsule lubricant]; Pharmaceutic aid [suspending and/or viscosity agent]; Pharmaceutic aid [tablet binder]


entry: D03371
name: --- - Capravirine (USAN)
formula: C20H20Cl2N4O2S
activity: Antiviral [reverse transcriptase inhibitor]
remark: Therapeutic category: 6250
comment: nonnucleoside reverse transcriptase inhibitor (NNRTI)
kcf:
ATOM        29
            1   C8y C    22.7249  -16.3578
            2   C8y C    24.1290  -16.3578
            3   N4y N    24.5629  -15.0224
            4   C8y C    23.4270  -14.1970
            5   N5x N    22.2911  -15.0224
            6   C1b C    23.4270  -12.7773
            7   C1b C    25.7663  -14.3218
            8   O7a O    22.1990  -12.0683
            9   C8y C    25.7640  -12.9075
            10  C8x C    26.9535  -12.2177
            11  C8x C    26.9509  -10.8145
            12  N5x N    25.7344  -10.1152
            13  C8x C    24.5448  -10.8049
            14  C8x C    24.5474  -12.2081
            15  C1c C    22.0249  -17.5702
            16  C1a C    22.7249  -18.7826
            17  S2a S    24.8290  -17.5702
            18  C1a C    20.6500  -17.5702
            19  C8y C    26.2500  -17.5702
            20  C7a C    20.9923  -12.7649
            21  N1a N    19.7750  -12.0622
            22  O7a O    20.9924  -14.1400
            23  C8x C    26.9499  -18.7825
            24  C8y C    28.3499  -18.7825
            25  C8x C    29.0499  -17.5701
            26  C8y C    28.3500  -16.3578
            27  C8x C    26.9500  -16.3578
            28  X   Cl   29.0405  -15.1621
            29  X   Cl   29.0403  -19.9780
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     4   6 1
            7     3   7 1
            8     6   8 1
            9     7   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16    1  15 1
            17   15  16 1
            18    2  17 1
            19   15  18 1
            20   17  19 1
            21    8  20 1
            22   20  21 1
            23   20  22 2
            24   19  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   19  27 1
            30   26  28 1
            31   24  29 1


entry: D03373
name: --- - Capromorelin tartrate (USAN)
formula: C28H35N5O4. C4H6O6
activity:
Treatment and prevention of frailty; tretment of congestive heart failure; treatment of catabolic illness [growth hormone secretagogue]

kcf:
ATOM        47
            1   C1c C    21.0337  -15.5246
            2   C5a C    22.2190  -14.8272
            3   N1b N    19.8484  -14.8272
            4   N1y N    23.4043  -15.5246
            5   O5a O    22.2190  -13.5025
            6   C5a C    18.6630  -15.5246
            7   C1x C    24.5897  -14.8272
            8   C1x C    23.4043  -16.9191
            9   C1d C    17.4776  -14.8272
            10  C1z C    25.7751  -15.5246
            11  C1x C    24.5897  -17.6163
            12  N1a N    16.2923  -15.5246
            13  C2y C    25.7751  -16.9191
            14  N2x N    27.0999  -17.2677
            15  N1y N    27.8668  -16.1520
            16  C5x C    26.9604  -15.0364
            17  C1a C    29.2614  -16.1520
            18  O5x O    27.3090  -13.7814
            19  C1b C    21.0337  -16.9191
            20  O2a O    19.7786  -17.6163
            21  C1b C    19.7786  -19.0109
            22  C8y C    18.6630  -19.7081
            23  C8x C    17.4776  -19.0109
            24  C8x C    16.2923  -19.7081
            25  C8x C    16.2923  -21.1026
            26  C8x C    17.4080  -21.7302
            27  C8x C    18.6630  -21.0329
            28  C1b C    25.7751  -13.0144
            29  C8y C    24.5897  -12.3171
            30  C8x C    24.5897  -10.9226
            31  C8x C    23.4043  -10.2951
            32  C8x C    22.1493  -10.9226
            33  C8x C    22.1493  -12.3171
            34  C8x C    23.4043  -13.0144
            35  O5a O    18.6630  -16.9191
            36  C1a C    17.4776  -13.5025
            37  C1a C    16.2923  -14.1998
            38  O6a O    22.6507  -19.9892
            39  C6a C    23.8610  -20.6880
            40  C1c C    25.0713  -19.9892
            41  C1c C    26.2815  -20.6880
            42  C6a C    27.4920  -19.9892
            43  O6a O    28.7022  -20.6880
            44  O6a O    23.8610  -22.0854
            45  O1a O    25.0713  -18.5917
            46  O1a O    26.2815  -22.0855
            47  O6a O    27.4920  -18.5920
BOND        49
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     6   9 1
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   11  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 1
            17   16  10 1
            18   15  17 1
            19   16  18 2
            20    1  19 1 #Up
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   10  28 1 #Down
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   32  33 1
            36   33  34 2
            37   29  34 1
            38    6  35 2
            39    9  36 1
            40    9  37 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   42  43 1
            46   39  44 2
            47   40  45 1 #Down
            48   41  46 1 #Down
            49   42  47 2


entry: D03376
name: --- - Captamine hydrochloride (USAN)
formula: C4H11NS. HCl
activity: Depigmentor
kcf:
ATOM        7
            1   N1c N    22.2895  -15.9088
            2   C1a C    23.5104  -16.6137
            3   C1b C    21.0687  -16.6137
            4   C1a C    22.2895  -14.4991
            5   C1b C    19.8649  -15.9185
            6   S1a S    18.6692  -16.6088
            7   X   Cl   27.5100  -15.6100
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     3   5 1
            5     5   6 1


entry: D03377
name: --- - Capuride (USAN) - Pacinox (TN)
formula: C9H18N2O2
activity: Sedative-hypnotic
kcf:
ATOM        13
            1   C1b C    15.0121  -14.8918
            2   C1c C    16.2236  -14.1904
            3   C1c C    17.4351  -14.8847
            4   C5a C    18.6466  -14.1833
            5   N1b N    19.8581  -14.8777
            6   C5a C    21.0696  -14.1763
            7   N1a N    22.2812  -14.8706
            8   C1a C    16.2205  -12.7876
            9   C1b C    17.4382  -16.2875
            10  O5a O    18.6436  -12.7805
            11  O5a O    21.0666  -12.7735
            12  C1a C    16.2114  -16.9992
            13  C1a C    13.7831  -14.1837
BOND        12
            1     5   6 1
            2     1   2 1
            3     6   7 1
            4     3   4 1
            5     2   8 1
            6     3   9 1
            7     4   5 1
            8     4  10 2
            9     2   3 1
            10    6  11 2
            11    9  12 1
            12    1  13 1


entry: D03378
name: --- - Caracemide (USAN)
formula: C6H11N3O4
activity: Antineoplastic
kcf:
ATOM        13
            1   C1a C     7.2100  -12.6000
            2   N1b N     8.4224  -11.9000
            3   C7a C     9.6349  -12.6000
            4   O7a O    10.8473  -11.9000
            5   N1c N    12.0597  -12.6000
            6   O7a O     9.6349  -13.9998
            7   C5a C    13.2573  -11.9085
            8   N1b N    14.4456  -12.5945
            9   O5a O    13.2574  -10.5003
            10  C1a C    15.6364  -11.9069
            11  C5a C    12.0598  -13.9999
            12  C1a C    13.2574  -14.6914
            13  O5a O    10.8325  -14.7086
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     3   6 2
            6     5   7 1
            7     7   8 1
            8     7   9 2
            9     8  10 1
            10    5  11 1
            11   11  12 1
            12   11  13 2


entry: D03382
name: --- - Carbadox (USAN) - Mecadox (TN)
formula: C11H10N4O4
activity: Antibacterial
kcf:
ATOM        19
            1   C8x C    24.5000  -14.9100
            2   C8x C    24.5000  -13.5100
            3   C8x C    23.3100  -12.8100
            4   C8y C    22.0500  -13.5100
            5   C8y C    22.0500  -14.9100
            6   C8x C    23.3100  -15.6100
            7   N4y N    20.8600  -12.8100
            8   C8y C    19.6700  -13.5100
            9   C8x C    19.6700  -14.9100
            10  N4y N    20.8600  -15.6100
            11  O3a O    20.8600  -11.4100
            12  O3a O    20.8600  -17.0100
            13  C2b C    18.4547  -12.8149
            14  N2b N    17.2663  -13.5077
            15  N1b N    16.0699  -12.8235
            16  C7a C    14.8887  -13.5119
            17  O7a O    13.6887  -12.8255
            18  O7a O    14.8944  -14.9099
            19  C1a C    12.5092  -13.5129
BOND        20
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    7  11 2
            13   10  12 2
            14    8  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 1


entry: D03383
name: --- - Carbamide peroxide (USP) - Murine ear drops (TN)
formula: CH4N2O. H2O2
activity: Anti-infective, topical [dental]
kcf:
ATOM        6
            1   C5a C    13.2300  -16.4500
            2   N1a N    14.4424  -17.1500
            3   N1a N    12.0176  -17.1500
            4   O5a O    13.2300  -15.0500
            5   O1a O    18.6900  -16.4500
            6   O1a O    20.0900  -16.4500
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     5   6 1


entry: D03384
name: --- - Carbantel lauryl sulfate (USAN)
formula: C12H16ClN3O. C12H26O4S
activity: Anthelmintic
kcf:
ATOM        34
            1   C8y C    11.0394  -14.2801
            2   C8x C    11.0394  -15.6849
            3   C8x C     9.8271  -13.5866
            4   N1b N    12.2517  -13.5866
            5   C8x C     9.8271  -16.3901
            6   C8x C     8.6090  -14.2801
            7   C5a C    13.4699  -14.2860
            8   C8y C     8.6090  -15.6849
            9   N1b N    14.6821  -13.5866
            10  O5a O    13.4639  -15.6849
            11  X   Cl    7.3965  -16.3901
            12  C2c C    15.9234  -14.3039
            13  C1b C    17.1272  -13.6093
            14  C1b C    18.3122  -14.2941
            15  C1b C    19.5075  -13.6044
            16  C1a C    20.6968  -14.2915
            17  N2a N    15.9228  -15.6982
            18  C1a C    31.8863  -14.3661
            19  C1b C    30.6948  -13.6652
            20  C1b C    29.5032  -14.3661
            21  C1b C    28.2416  -13.6652
            22  O2a O    27.0500  -14.3661
            23  S4a S    25.6483  -14.3661
            24  O3c O    25.6483  -15.7679
            25  O1d O    24.2464  -14.3661
            26  O3c O    25.6483  -12.9643
            27  C1b C    29.5032  -14.3661
            28  C1b C    28.2416  -13.6652
            29  C1b C    29.5032  -14.3661
            30  C1b C    28.2416  -13.6652
            31  C1b C    29.5032  -14.3661
            32  C1b C    28.2416  -13.6652
            33  C1b C    29.5032  -14.3661
            34  C1b C    28.2416  -13.6652
BOND        33
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 1
            11    6   8 2
            12    9  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   12  17 2
            18   18  19 1
            19   22  23 1
            20   23  24 2
            21   23  25 1
            22   23  26 2
            23   19  20 1
            24   20  21 1
            25   21  27 1
            26   27  28 1
            27   28  29 1
            28   29  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  22 1


entry: D03385
name: --- - Carbaspirin calcium (USAN)
formula: (C9H7O4)2. CH4N2O. Ca
activity: Analgesic
remark: Therapeutic category: 1143
kcf:
ATOM        31
            1   C8y C    19.2051  -15.7851
            2   C8y C    20.4439  -16.4856
            3   C8x C    17.9857  -16.4856
            4   C6a C    19.2051  -14.5834
            5   C8x C    20.4439  -17.9124
            6   O7a O    21.6631  -15.7785
            7   C8x C    17.9857  -17.9124
            8   O0  O    20.4243  -13.8766 #-
            9   O6a O    17.9791  -13.8830
            10  C8x C    19.2051  -18.6324
            11  C7a C    22.8891  -16.4790
            12  C1a C    24.1086  -15.7721
            13  O7a O    22.8891  -17.8931
            14  C5a C    32.8301  -16.3102
            15  N1a N    34.0426  -17.0102
            16  N1a N    31.6177  -17.0102
            17  O5a O    32.8301  -14.9102
            18  Z   Ca   27.7200  -15.8200 #2+
            19  C8y C    19.2051  -15.7851
            20  C8y C    20.4439  -16.4856
            21  C8x C    20.4439  -17.9124
            22  C8x C    19.2051  -18.6324
            23  C8x C    17.9857  -17.9124
            24  C8x C    17.9857  -16.4856
            25  O7a O    21.6631  -15.7785
            26  C7a C    22.8891  -16.4790
            27  C1a C    24.1086  -15.7721
            28  O7a O    22.8891  -17.8931
            29  C6a C    19.2051  -14.5834
            30  O0  O    20.4243  -13.8766 #-
            31  O6a O    17.9791  -13.8830
BOND        29
            1    14  15 1
            2    14  16 1
            3    14  17 2
            4     1   2 1
            5     1   3 2
            6     1   4 1
            7     2   5 2
            8     2   6 1
            9     3   7 1
            10    4   8 1
            11    4   9 2
            12    5  10 1
            13    6  11 1
            14   11  12 1
            15   11  13 2
            16    7  10 2
            17   19  20 1
            18   19  24 2
            19   19  29 1
            20   20  21 2
            21   20  25 1
            22   24  23 1
            23   29  30 1
            24   29  31 2
            25   21  22 1
            26   25  26 1
            27   26  27 1
            28   26  28 2
            29   23  22 2


entry: D03386
name: --- - Carbazeran (USAN)
formula: C18H24N4O4
activity: Cardiotonic
kcf:
ATOM        26
            1   C8y C    12.5300  -15.1900
            2   C8y C    12.5300  -16.5900
            3   C8x C    13.7424  -17.2900
            4   C8y C    14.9549  -16.5900
            5   C8y C    14.9549  -15.1900
            6   C8x C    13.7424  -14.4900
            7   C8x C    16.1673  -17.2900
            8   N5x N    17.3797  -16.5900
            9   N5x N    17.3797  -15.1900
            10  C8y C    16.1673  -14.4900
            11  N1y N    16.1673  -13.0900
            12  C1x C    17.3818  -12.3888
            13  C1x C    17.3818  -10.9888
            14  C1y C    16.1693  -10.2888
            15  C1x C    14.9549  -10.9900
            16  C1x C    14.9549  -12.3900
            17  O7a O    16.1693   -8.8900
            18  C7a C    17.3823   -8.1897
            19  N1b N    18.5780   -8.8802
            20  O7a O    17.3823   -6.7902
            21  C1b C    19.7652   -8.1949
            22  C1a C    20.9565   -8.8829
            23  O2a O    11.3176  -14.4900
            24  C1a C    10.1221  -15.1804
            25  O2a O    11.3176  -17.2900
            26  C1a C    10.1221  -16.5996
BOND        28
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 1
            19   14  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 2
            23   19  21 1
            24   21  22 1
            25    1  23 1
            26   23  24 1
            27    2  25 1
            28   25  26 1


entry: D03387
name: --- - Carbenicillin potassium (USAN)
formula: C17H17N2O6S. K
activity: Antibacterial
kcf:
ATOM        27
            1   C1y C    13.2683  -16.0150
            2   C5x C    13.2683  -17.3792
            3   N1y N    14.6325  -17.3792
            4   C1y C    14.6325  -16.0150
            5   C1y C    15.9285  -17.7884
            6   C1z C    16.7470  -16.6971
            7   S2x S    15.9285  -15.6058
            8   C1a C    17.7019  -17.6520
            9   C1a C    17.7019  -15.7422
            10  C6a C    16.4059  -19.1526
            11  O6a O    17.7701  -19.1526
            12  O6a O    15.5874  -20.2440
            13  N1b N    12.1088  -15.3329
            14  C5a C    10.9492  -16.0150
            15  O5x O    12.1088  -18.0613
            16  O5a O    10.9492  -17.3792
            17  C1c C     9.7215  -15.3329
            18  C6a C     8.5283  -16.0483
            19  C8y C     9.6983  -13.9304
            20  O0  O     7.3058  -15.3691 #-
            21  O6a O     8.5513  -17.4300
            22  C8x C    10.9222  -13.1961
            23  C8x C    10.8988  -11.7963
            24  C8x C     9.6748  -11.1167
            25  C8x C     8.4509  -11.8509
            26  C8x C     8.4743  -13.2508
            27  Z   K     5.3900  -15.4000 #+
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   17  19 1
            21   18  20 1
            22   18  21 2
            23   19  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   19  26 1


entry: D03389
name: --- - Carbiphene hydrochloride (USAN) - Bandol (TN)
formula: C28H34N2O2. HCl
activity: Analgesic
kcf:
ATOM        33
            1   C8x C     5.1800  -19.0400
            2   C8x C     5.1800  -20.4400
            3   C8x C     6.3924  -21.1400
            4   C8x C     7.6049  -20.4400
            5   C8y C     7.6049  -19.0400
            6   C8x C     6.3924  -18.3400
            7   C8x C    10.0297  -20.4400
            8   C8y C    10.0297  -19.0400
            9   C1d C     8.8173  -18.3400
            10  C8x C    11.2422  -21.1400
            11  C8x C    12.4546  -20.4400
            12  C8x C    12.4546  -19.0400
            13  C8x C    11.2422  -18.3400
            14  O2a O     6.6249  -17.5700
            15  C1b C     6.6249  -16.1700
            16  C1a C     5.4314  -15.4808
            17  C5a C     8.8173  -16.9400
            18  N1c N    10.0318  -16.2388
            19  O5a O     7.6069  -16.2412
            20  C1b C    11.2283  -16.9298
            21  C1b C    12.4151  -16.2446
            22  N1c N    13.6066  -16.9328
            23  C1b C    14.7960  -16.2461
            24  C1a C    10.0318  -14.8402
            25  C1a C    13.6066  -18.3397
            26  C1b C    15.9862  -16.9335
            27  C8y C    17.1762  -16.2465
            28  C8x C    18.3660  -16.9337
            29  C8x C    19.5786  -16.2339
            30  C8x C    19.5788  -14.8339
            31  C8x C    18.3889  -14.1467
            32  C8x C    17.1764  -14.8465
            33  X   Cl   17.9900  -19.5300
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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18    9  17 1
            19   17  18 1
            20   17  19 2
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  24 1
            26   22  25 1
            27   23  26 1
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   27  32 1


entry: D03390
name: --- - Carbocloral (USAN)
formula: C5H8Cl3NO3
activity: Sedative-hypnotic
kcf:
ATOM        12
            1   C1a C    11.9000  -12.7400
            2   C1b C    13.1124  -12.0400
            3   O7a O    14.3249  -12.7400
            4   C7a C    15.5373  -12.0400
            5   N1b N    16.7497  -12.7400
            6   C1c C    17.9622  -12.0400
            7   C1d C    19.1746  -12.7400
            8   O7a O    15.5373  -10.6400
            9   O1a O    17.9622  -10.6403
            10  X   Cl   20.3870  -13.4400
            11  X   Cl   19.8759  -11.5252
            12  X   Cl   18.4760  -13.9501
BOND        11
            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     4   8 2
            8     6   9 1
            9     7  10 1
            10    7  11 1
            11    7  12 1


entry: D03399
name: --- - Carboprost methyl (USAN)
formula: C22H38O5
activity: Oxytocic
remark: Therapeutic category: 2499
kcf:
ATOM        27
            1   C1b C    28.2749  -13.9736
            2   C1b C    29.4679  -14.6624
            3   C1b C    30.6609  -13.9736
            4   C7a C    31.8540  -14.6624
            5   O7a O    33.0470  -13.9736
            6   C1y C    23.2740  -16.4533
            7   C1y C    23.2740  -15.0757
            8   C1y C    21.9653  -14.6624
            9   C1x C    21.1388  -15.7645
            10  C1y C    21.9653  -16.8666
            11  O1a O    21.5442  -13.3508
            12  O1a O    21.5442  -18.1783
            13  C1b C    24.4670  -13.9736
            14  C2b C    25.5913  -14.6624
            15  C2b C    27.1755  -14.6624
            16  O7a O    31.8540  -16.0397
            17  C2b C    24.4670  -17.6243
            18  C2b C    25.6601  -16.9355
            19  C1d C    26.8531  -17.6243
            20  C1b C    28.0461  -16.9355
            21  C1b C    29.2392  -17.6243
            22  C1b C    30.4322  -16.9355
            23  C1b C    31.6252  -17.6243
            24  C1a C    25.8791  -18.5983
            25  O1a O    27.8273  -18.5983
            26  C1a C    32.8056  -16.9427
            27  C1a C    34.2655  -14.6769
BOND        27
            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     6  10 1
            10    8  11 1 #Down
            11   10  12 1 #Down
            12    7  13 1 #Down
            13   13  14 1
            14   14  15 2
            15    1  15 1
            16    4  16 2
            17    6  17 1 #Up
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   19  24 1 #Up
            25   19  25 1 #Down
            26   23  26 1
            27    5  27 1


entry: D03402
name: --- - Carbuterol hydrochloride (USAN)
formula: C13H21N3O3. HCl
activity: Bronchodilator
kcf:
ATOM        20
            1   C8x C    18.6059  -12.5966
            2   C8y C    18.6059  -14.0026
            3   C8y C    19.8235  -14.7056
            4   C8x C    21.0411  -14.0026
            5   C8x C    21.0411  -12.5966
            6   C8y C    19.8235  -11.8937
            7   C1c C    19.8235  -10.4879
            8   O1a O    19.8235  -16.1113
            9   O1a O    18.5891   -9.7750
            10  C1b C    21.0242   -9.7946
            11  N1b N    22.2164  -10.4829
            12  C1d C    23.4129   -9.7920
            13  N1b N    17.3884  -14.7056
            14  C5a C    16.1878  -14.0122
            15  N1a N    14.9954  -14.7006
            16  O5a O    16.1877  -12.5969
            17  C1a C    24.6134   -9.0986
            18  C1a C    24.1058  -10.9926
            19  C1a C    22.7003   -8.5574
            20  X   Cl   28.7991  -12.9481
BOND        19
            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     6   7 1
            8     3   8 1
            9     7   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13    2  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 2
            17   12  17 1
            18   12  18 1
            19   12  19 1


entry: D03405
name: --- - Carfentanil citrate (USAN)
formula: C24H30N2O3. C6H8O7
activity: Analgesic [narcotic]
remark: Therapeutic category: 8219
kcf:
ATOM        42
            1   C1d C    41.8511  -19.5249
            2   C1b C    40.6609  -20.2091
            3   C1b C    43.0413  -20.2032
            4   C6a C    42.5294  -18.3287
            5   O1a O    41.1552  -18.3287
            6   C6a C    39.4763  -19.5306
            7   C6a C    43.0297  -21.5777
            8   O6a O    41.8338  -17.1330
            9   O6a O    43.9095  -18.3287
            10  O6a O    38.2862  -20.2206
            11  O6a O    39.4636  -18.1564
            12  O6a O    44.2201  -22.2675
            13  O6a O    41.8338  -22.2617
            14  C1z C    29.8296  -19.3403
            15  C1x C    28.6575  -18.6634
            16  C1x C    27.4686  -19.3496
            17  N1y N    27.4684  -20.7223
            18  C1x C    28.6406  -21.3992
            19  C1x C    29.8294  -20.7130
            20  C1b C    26.2695  -21.4144
            21  C1b C    25.0822  -20.7289
            22  C8y C    23.8920  -21.4158
            23  N1c N    31.3920  -18.6403
            24  C8y C    32.5717  -19.3213
            25  C8x C    32.5717  -20.7198
            26  C8x C    33.7841  -21.4198
            27  C8x C    34.9966  -20.7198
            28  C8x C    34.9965  -19.3213
            29  C8x C    33.7841  -18.6213
            30  C5a C    31.3925  -17.2204
            31  O5a O    32.5807  -16.5345
            32  C1b C    30.1559  -16.5058
            33  C1a C    28.9477  -17.2027
            34  C7a C    30.5296  -20.5527
            35  O7a O    30.5296  -21.9527
            36  O7a O    31.8660  -20.1949
            37  C1a C    31.7464  -22.6553
            38  C8x C    22.6652  -20.7070
            39  C8x C    21.4525  -21.4066
            40  C8x C    21.4521  -22.8066
            41  C8x C    22.6789  -23.5154
            42  C8x C    23.8916  -22.8158
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   14  19 1
            19   17  20 1
            20   20  21 1
            21   21  22 1
            22   14  23 1
            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   24  29 1
            30   23  30 1
            31   30  31 2
            32   30  32 1
            33   32  33 1
            34   14  34 1
            35   34  35 1
            36   34  36 2
            37   35  37 1
            38   22  38 2
            39   38  39 1
            40   39  40 2
            41   40  41 1
            42   41  42 2
            43   22  42 1


entry: D03406
name: --- - Cariporide mesylate (USAN)
formula: C12H17N3O3S. CH4SO3
activity: Reduction of death and nonfatal myocardial infarction in patients undergoing
kcf:
ATOM        24
            1   C8y C    32.1927  -17.9669
            2   C8y C    32.1927  -19.3594
            3   C8x C    31.0090  -20.0556
            4   C8x C    29.7558  -19.3594
            5   C8y C    29.7558  -17.9669
            6   C8x C    31.0090  -17.2706
            7   C5a C    28.5722  -17.2706
            8   C1c C    33.3763  -20.0556
            9   C1a C    34.5599  -19.3594
            10  C1a C    33.3763  -21.4481
            11  N2b N    27.3886  -17.9669
            12  O5a O    28.5722  -15.8781
            13  C2c C    26.2049  -17.2706
            14  N1a N    25.0213  -17.9669
            15  N1a N    26.2049  -15.8781
            16  S4a S    33.5851  -17.0618
            17  C1a C    34.8520  -17.7064
            18  O3c O    34.5751  -16.0718
            19  O3c O    32.5952  -16.0718
            20  C1a C    40.3670  -18.7968
            21  S4a S    41.7536  -18.7968
            22  O3c O    41.7536  -17.4103
            23  O1d O    43.1401  -18.7968
            24  O3c O    41.7536  -20.1834
BOND        23
            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     5   7 1
            8     2   8 1
            9     8   9 1
            10    8  10 1
            11    7  11 1
            12    7  12 2
            13   11  13 2
            14   13  14 1
            15   13  15 1
            16    1  16 1
            17   16  17 1
            18   16  18 2
            19   16  19 2
            20   20  21 1
            21   21  22 2
            22   21  23 1
            23   21  24 2


entry: D03407
name: --- - Carmantadine (USAN)
formula: C14H21NO2
activity: Antiparkinsonian
kcf:
ATOM        17
            1   C1y C     5.1745  -12.5927
            2   C1x C     4.4748  -13.9920
            3   C1y C     4.4748  -15.2514
            4   C1y C     3.9851  -14.5518
            5   C1z C     6.2940  -14.5518
            6   C1x C     2.8656  -15.6712
            7   C1x C     5.5943  -16.3009
            8   C1x C     3.9851  -13.2224
            9   C1x C     5.1745  -15.1815
            10  C1x C     6.2940  -13.2224
            11  N1y N     7.5064  -15.2518
            12  C1x C     7.8697  -16.6075
            13  C1x C     9.2255  -16.2442
            14  C1y C     8.8622  -14.8884
            15  C6a C     9.5596  -13.6805
            16  O6a O    10.9897  -13.6813
            17  O6a O     8.8544  -12.4588
BOND        20
            1     1   2 1
            2     2   3 1
            3     8   4 1
            4     4   9 1
            5     9   5 1
            6     5  10 1
            7    10   1 1
            8     1   8 1
            9     3   6 1
            10    3   7 1
            11    4   6 1
            12    5   7 1
            13    5  11 1
            14   11  12 1
            15   12  13 1
            16   13  14 1
            17   11  14 1
            18   14  15 1
            19   15  16 1
            20   15  17 2


entry: D03408
name: --- - Carnidazole (USAN)
formula: C8H12N4O3S
activity: Antiprotozoal
remark: Therapeutic category: 6419
kcf:
ATOM        16
            1   C8x C    14.1505  -14.7827
            2   C8y C    15.5514  -14.7827
            3   N4y N    15.9843  -13.4504
            4   C8y C    14.8510  -12.6269
            5   N5x N    13.7177  -13.4504
            6   N2b N    16.3748  -15.9160 #+
            7   O0  O    15.1617  -16.6165 #-
            8   O3a O    17.3655  -16.9067
            9   C1a C    14.8510  -11.2105
            10  C1b C    17.1849  -12.7514
            11  C1b C    18.3981  -13.4519
            12  N1b N    19.6113  -12.7514
            13  C2c C    20.8245  -13.4519
            14  O2a O    22.0228  -12.7599
            15  S0  S    20.8246  -14.8527
            16  C1a C    23.2466  -13.4668
BOND        16
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     2   6 1
            7     6   7 1
            8     6   8 2
            9     4   9 1
            10    3  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   13  15 2
            16   14  16 1


entry: D03409
name: --- - Caroxazone (USAN)
formula: C10H10N2O3
activity: Antidepressant
remark: Therapeutic category: 1173
kcf:
ATOM        15
            1   C8x C     6.5100  -13.7900
            2   C8x C     6.5100  -15.1900
            3   C8x C     7.7224  -15.8900
            4   C8y C     8.9349  -15.1900
            5   C8y C     8.9349  -13.7900
            6   C8x C     7.7224  -13.0900
            7   C1x C    10.1473  -15.8900
            8   N1y N    11.3597  -15.1900
            9   C7x C    11.3597  -13.7900
            10  O7x O    10.1473  -13.0900
            11  O7x O    12.5573  -13.0985
            12  C1b C    12.5573  -15.8815
            13  C5a C    13.7456  -15.1955
            14  N1a N    14.9364  -15.8831
            15  O5a O    13.7457  -13.7902
BOND        16
            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    9  11 2
            13    8  12 1
            14   12  13 1
            15   13  14 1
            16   13  15 2


entry: D03410
name: --- - Carprofen (USAN) - Rimadyl (TN)
formula: C15H12ClNO2
activity: Anti-inflammatory
kcf:
ATOM        19
            1   C8y C    22.7657  -16.5408
            2   C8x C    22.7657  -17.9431
            3   C8x C    23.9801  -18.6443
            4   C8y C    25.1945  -17.9431
            5   C8y C    25.1945  -16.5408
            6   C8x C    23.9801  -15.8397
            7   N4x N    26.5282  -18.3764
            8   C8y C    27.3525  -17.2420
            9   C8y C    26.5282  -16.1075
            10  C8x C    28.7470  -17.0954
            11  C8y C    29.3174  -15.8143
            12  C8x C    28.4931  -14.6799
            13  C8x C    27.0985  -14.8264
            14  C1c C    30.6785  -15.8118
            15  X   Cl   21.5513  -15.8397
            16  C1a C    31.3795  -17.0209
            17  C6a C    31.3680  -14.6122
            18  O6a O    32.7599  -14.6096
            19  O6a O    30.6713  -13.4111
BOND        21
            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    5   9 1
            11    8  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 2
            16   11  14 1
            17    1  15 1
            18   14  16 1
            19   14  17 1
            20   17  18 1
            21   17  19 2


entry: D03412
name: --- - Carsatrin succinate (USAN)
formula: C25H26F2N6OS. C4H6O4
activity: Cardiotonic
kcf:
ATOM        43
            1   O6a O    13.0395  -14.3981
            2   C6a C    14.2505  -15.0973
            3   C1b C    15.4616  -14.3981
            4   C1b C    16.6726  -15.0973
            5   C6a C    17.8836  -14.3981
            6   O6a O    19.0946  -15.0973
            7   O6a O    14.2505  -16.4954
            8   O6a O    17.8836  -12.9998
            9   C8x C     2.9400  -15.7500
            10  C8y C     2.9400  -17.1500
            11  C8x C     4.1524  -17.8500
            12  C8x C     5.3649  -17.1500
            13  C8y C     5.3649  -15.7500
            14  C8x C     4.1524  -15.0500
            15  C8x C     7.7897  -17.1500
            16  C8y C     7.7897  -15.7500
            17  C1c C     6.5773  -15.0500
            18  C8x C     9.0022  -17.8500
            19  C8y C    10.2146  -17.1500
            20  C8x C    10.2146  -15.7500
            21  C8x C     9.0022  -15.0500
            22  X   F     1.7276  -17.8500
            23  X   F    11.4311  -17.8523
            24  N1y N     6.5773  -13.6500
            25  C1x C     7.7918  -12.9488
            26  C1x C     7.7918  -11.5488
            27  N1y N     6.5793  -10.8488
            28  C1x C     5.3649  -11.5500
            29  C1x C     5.3649  -12.9500
            30  C1b C     6.5793   -9.4500
            31  C1c C     7.7923   -8.7497
            32  C1b C     8.9880   -9.4402
            33  O1a O     7.7923   -7.3502
            34  S2a S    10.1752   -8.7549
            35  C8y C    11.3665   -9.4429
            36  N5x N    11.3665  -10.8497
            37  C8x C    12.5789  -11.5498
            38  N5x N    13.7913  -10.8498
            39  C8y C    13.7914   -9.4430
            40  C8y C    12.5790   -8.7429
            41  N5x N    14.8318   -8.5062
            42  C8x C    14.2625   -7.2272
            43  N4x N    12.8701   -7.3735
BOND        46
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 2
            7     5   8 2
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13    9  14 1
            14   15  16 1
            15   16  17 1
            16   13  17 1
            17   15  18 2
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   16  21 2
            22   10  22 1
            23   19  23 1
            24   17  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   24  29 1
            31   27  30 1
            32   30  31 1
            33   31  32 1
            34   31  33 1
            35   32  34 1
            36   34  35 1
            37   35  36 2
            38   36  37 1
            39   37  38 2
            40   38  39 1
            41   39  40 2
            42   35  40 1
            43   39  41 1
            44   41  42 2
            45   42  43 1
            46   40  43 1


entry: D03413
name: --- - Cartazolate (USAN)
formula: C15H22N4O2
activity: Antidepressant
kcf:
ATOM        21
            1   C8x C    15.1791  -15.5969
            2   C8y C    15.1791  -14.1926
            3   C8y C    16.3728  -13.4904
            4   C8y C    17.6367  -14.1926
            5   C8y C    17.6367  -15.5969
            6   N5x N    16.3728  -16.2991
            7   C8x C    18.9708  -13.7713
            8   N5x N    19.7432  -14.8947
            9   N4y N    18.9708  -16.0182
            10  C1b C    19.4276  -17.3462
            11  C1a C    20.8407  -17.6213
            12  N1b N    16.3555  -12.0862
            13  C1b C    17.5757  -11.3614
            14  C1b C    17.5757   -9.9571
            15  C1b C    18.7753   -9.2647
            16  C7a C    13.9600  -13.4953
            17  O7a O    12.7679  -14.1903
            18  O7a O    13.9542  -12.0864
            19  C1b C    11.5678  -13.5039
            20  C1a C    10.3830  -14.1945
            21  C1a C    18.7757   -7.8401
BOND        22
            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 2
            9     8   9 1
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13    3  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17    2  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 1
            21   19  20 1
            22   15  21 1


entry: D03414
name: --- - Carubicin hydrochloride (USAN)
formula: C26H27NO10. HCl
activity: Antineoplastic
remark: Therapeutic category: 4235
kcf:
ATOM        38
            1   C8y C    34.1600  -15.5400
            2   C8y C    34.1600  -16.9400
            3   C8y C    32.9000  -14.8400
            4   C1x C    35.3500  -14.8400
            5   C1y C    35.3500  -17.6400
            6   C8y C    32.9700  -17.6400
            7   C8y C    31.7100  -15.5400
            8   O1a O    32.9000  -13.7200
            9   C1z C    36.5400  -15.4700
            10  C1x C    36.5400  -16.9400
            11  C8y C    31.7100  -16.9400
            12  O1a O    32.9700  -18.9700
            13  C5x C    30.5200  -14.8400
            14  C5a C    37.2400  -14.2800
            15  O1a O    38.0800  -15.4700
            16  C5x C    30.5200  -17.6400
            17  C8y C    29.3300  -15.5400
            18  O5x O    30.5200  -13.5100
            19  O5a O    36.5400  -13.1600
            20  C8y C    29.3300  -16.9400
            21  O5x O    30.5200  -18.9700
            22  C8x C    28.1400  -14.9100
            23  C8y C    28.1400  -17.6400
            24  C8x C    26.9500  -15.5400
            25  C8x C    26.9500  -16.9400
            26  C1a C    38.5700  -14.2800
            27  O1a O    28.1400  -19.0400
            28  C1y C    31.7100  -20.8600
            29  C1y C    31.7100  -22.2600
            30  C1y C    32.9000  -22.9600
            31  C1x C    34.1600  -22.2600
            32  C1y C    34.1600  -20.8600
            33  O2x O    32.9000  -20.1600
            34  O1a O    30.5200  -22.9600
            35  N1a N    32.9000  -24.3600
            36  C1a C    30.5200  -20.1600
            37  O2a O    35.3500  -20.1600
            38  X   Cl   41.0857  -19.1766
BOND        41
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1 #Up
            14    9  15 1 #Down
            15   11  16 1
            16   13  17 1
            17   13  18 2
            18   14  19 2
            19   16  20 1
            20   16  21 2
            21   17  22 1
            22   20  23 1
            23   22  24 2
            24   23  25 2
            25    7  11 2
            26    9  10 1
            27   17  20 2
            28   24  25 1
            29   14  26 1
            30   23  27 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   28  33 1
            37   29  34 1 #Down
            38   30  35 1 #Down
            39   28  36 1 #Down
            40   32  37 1 #Up
            41    5  37 1 #Down


entry: D03415
name: --- - Carvedilol phosphate (USAN) - Coreg CR (TN)
formula: (C24H26N2O4)2. 2H3PO4. H2O
remark: Therapeutic category: 2149
activity:
Treatment of congestive heart failure, left ventricular dysfunction following myocardial infarction, and management of hypertension

kcf:
ATOM        71
            1   P1b P    25.2157   -4.9627
            2   O3b O    25.2085   -3.5620
            3   O1c O    26.6165   -4.9627
            4   O1c O    23.8149   -4.9556
            5   O1c O    25.2085   -6.3635
            6   O0  O    25.8276   -8.5395
            7   C8y C     7.0000   -6.2300
            8   C8y C     5.6700   -5.7400
            9   C8y C     7.0000   -7.6300
            10  C8y C     8.2600   -5.5300
            11  C8y C     4.8300   -6.8600
            12  C8x C     5.1800   -4.4100
            13  N4x N     5.6700   -8.0500
            14  C8x C     8.1900   -8.3300
            15  C8x C     9.4500   -6.2300
            16  O2a O     8.2600   -4.1300
            17  C8x C     3.4300   -6.6500
            18  C8x C     3.7800   -4.2700
            19  C8x C     9.4500   -7.6300
            20  C1b C     9.5200   -3.4300
            21  C8x C     2.9400   -5.3900
            22  C1c C    10.7100   -4.2000
            23  C1b C    11.9700   -3.5000
            24  O1a O    10.7100   -5.6000
            25  N1b N    13.0900   -4.2700
            26  C1b C    14.3500   -3.5700
            27  C1b C    15.5400   -4.2700
            28  O2a O    16.7300   -3.6400
            29  C8y C    17.9900   -4.3400
            30  C8y C    17.9900   -5.7400
            31  C8x C    19.1800   -3.7100
            32  C8x C    19.1100   -6.5100
            33  O2a O    16.7300   -6.3700
            34  C8x C    20.3700   -4.4100
            35  C8x C    20.3700   -5.8100
            36  C1a C    15.4700   -5.6700
            37  P1b P    25.2157   -4.9627
            38  O3b O    25.2085   -3.5620
            39  O1c O    26.6165   -4.9627
            40  O1c O    23.8149   -4.9556
            41  O1c O    25.2085   -6.3635
            42  C8y C     7.0000   -6.2300
            43  C8y C     5.6700   -5.7400
            44  C8y C     4.8300   -6.8600
            45  C8x C     3.4300   -6.6500
            46  C8x C     2.9400   -5.3900
            47  C8x C     3.7800   -4.2700
            48  C8x C     5.1800   -4.4100
            49  N4x N     5.6700   -8.0500
            50  C8y C     7.0000   -7.6300
            51  C8x C     8.1900   -8.3300
            52  C8x C     9.4500   -7.6300
            53  C8x C     9.4500   -6.2300
            54  C8y C     8.2600   -5.5300
            55  O2a O     8.2600   -4.1300
            56  C1b C     9.5200   -3.4300
            57  C1c C    10.7100   -4.2000
            58  C1b C    11.9700   -3.5000
            59  N1b N    13.0900   -4.2700
            60  C1b C    14.3500   -3.5700
            61  C1b C    15.5400   -4.2700
            62  O2a O    16.7300   -3.6400
            63  C8y C    17.9900   -4.3400
            64  C8y C    17.9900   -5.7400
            65  C8x C    19.1100   -6.5100
            66  C8x C    20.3700   -5.8100
            67  C8x C    20.3700   -4.4100
            68  C8x C    19.1800   -3.7100
            69  O2a O    16.7300   -6.3700
            70  C1a C    15.4700   -5.6700
            71  O1a O    10.7100   -5.6000
BOND        74
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5    37  38 2
            6    37  39 1
            7    37  40 1
            8    37  41 1
            9     7   8 1
            10    7   9 2
            11    7  10 1
            12    8  11 2
            13    8  12 1
            14    9  13 1
            15    9  14 1
            16   10  15 2
            17   10  16 1
            18   11  17 1
            19   12  18 2
            20   14  19 2
            21   16  20 1
            22   17  21 2
            23   20  22 1
            24   22  23 1
            25   22  24 1
            26   23  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 2
            32   29  31 1
            33   30  32 1
            34   30  33 1
            35   31  34 2
            36   32  35 2
            37   33  36 1
            38   11  13 1
            39   15  19 1
            40   18  21 1
            41   34  35 1
            42   42  43 1
            43   42  50 2
            44   42  54 1
            45   43  44 2
            46   43  48 1
            47   50  49 1
            48   50  51 1
            49   54  53 2
            50   54  55 1
            51   44  45 1
            52   48  47 2
            53   51  52 2
            54   55  56 1
            55   45  46 2
            56   56  57 1
            57   57  58 1
            58   57  71 1
            59   58  59 1
            60   59  60 1
            61   60  61 1
            62   61  62 1
            63   62  63 1
            64   63  64 2
            65   63  68 1
            66   64  65 1
            67   64  69 1
            68   68  67 2
            69   65  66 2
            70   69  70 1
            71   44  49 1
            72   53  52 1
            73   47  46 1
            74   67  66 1


entry: D03416
name: --- - Carzelesin (USAN)
formula: C41H37ClN6O5
activity: Antineoplastic
kcf:
ATOM        53
            1   C8y C    17.0815  -19.1823
            2   C8y C    17.0815  -20.5825
            3   C8x C    18.2941  -21.2826
            4   C8x C    19.5068  -20.5825
            5   C8y C    19.5068  -19.1823
            6   C8x C    18.2941  -18.4822
            7   C8x C    15.7291  -18.8200
            8   C8y C    14.9665  -19.9942
            9   N4x N    15.8477  -21.0823
            10  N1b N    20.7380  -18.4712
            11  C5a C    21.9434  -19.1670
            12  O5a O    21.9434  -20.5672
            13  C5a C    13.5818  -20.0670
            14  N1y N    12.8302  -18.9106
            15  O5a O    12.9359  -21.3351
            16  C1x C    13.3318  -17.6026
            17  C1y C    12.2427  -16.7213
            18  C8y C    11.0681  -17.4847
            19  C8y C    11.4312  -18.8378
            20  C8y C     9.7155  -17.1227
            21  C8y C     8.7258  -18.1132
            22  C8y C     9.0888  -19.4662
            23  C8x C    10.4415  -19.8282
            24  C8y C     9.0794  -15.8754
            25  C8x C     7.6966  -16.0949
            26  N4x N     7.4780  -17.4780
            27  C1a C     9.7123  -14.6324
            28  O7a O     8.1070  -20.4489
            29  C8y C    23.1250  -18.4845
            30  O2x O    24.3814  -19.0438
            31  C8y C    25.3016  -18.0218
            32  C8y C    24.6139  -16.8308
            33  C8x C    23.2687  -17.1168
            34  C8x C    26.7016  -18.0217
            35  C8y C    27.4015  -16.8092
            36  C8x C    26.7138  -15.6182
            37  C8x C    25.3138  -15.6183
            38  N1c N    28.7700  -16.8089
            39  C1b C    29.4664  -18.0145
            40  C1b C    29.4736  -15.5896
            41  C1a C    30.8698  -15.5894
            42  C1a C    30.8698  -18.0143
            43  C7a C     6.7645  -20.0896
            44  N1b N     5.7877  -21.0675
            45  O7a O     6.4036  -18.7444
            46  C8y C     4.4567  -20.7115
            47  C8x C     4.0976  -19.3732
            48  C8x C     2.7452  -19.0113
            49  C8x C     1.7556  -20.0016
            50  C8x C     2.1146  -21.3399
            51  C8x C     3.4671  -21.7018
            52  C1b C    12.3151  -15.3333
            53  X   Cl   13.5677  -14.6945
BOND        60
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9   2 1
            11    5  10 1
            12   10  11 1
            13   11  12 2
            14    8  13 1
            15   13  14 1
            16   13  15 2
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   18  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   19  23 1
            27   20  24 1
            28   24  25 2
            29   25  26 1
            30   21  26 1
            31   24  27 1
            32   22  28 1
            33   11  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   29  33 2
            39   31  34 2
            40   34  35 1
            41   35  36 2
            42   36  37 1
            43   32  37 2
            44   35  38 1
            45   38  39 1
            46   38  40 1
            47   40  41 1
            48   39  42 1
            49   28  43 1
            50   43  44 1
            51   43  45 2
            52   44  46 1
            53   46  47 2
            54   47  48 1
            55   48  49 2
            56   49  50 1
            57   50  51 2
            58   46  51 1
            59   52  53 1
            60   17  52 1 #Down


entry: D03418
activity: Laxative
remark: Therapeutic category: 2356
name:
--- 
- Aromatic castor oil (JP15)
- Castor oil (JP15/USP)
- Aromatic castor oil (TN)
- Castor oil (TN)


entry: D03419
name: --- - Cedefingol (USAN)
formula: C20H41NO3
activity: Antineoplastic [adjunct]; Antipsoriatic
kcf:
ATOM        24
            1   O1a O    16.2138  -15.2751
            2   C1b C    17.4160  -14.5679
            3   C1c C    18.6889  -15.2751
            4   C1c C    19.8911  -14.5679
            5   C1b C    21.1633  -15.2751
            6   C1b C    22.2955  -14.5679
            7   C1a C    24.1277  -15.2751
            8   N1b N    18.6889  -16.6894
            9   C5a C    19.8911  -17.3966
            10  C1a C    21.0933  -16.6894
            11  O5a O    19.8911  -18.8110
            12  O1a O    19.8911  -13.1535
            13  C1b C    21.1633  -15.2751
            14  C1b C    22.2955  -14.5679
            15  C1b C    21.1633  -15.2751
            16  C1b C    22.2955  -14.5679
            17  C1b C    21.1633  -15.2751
            18  C1b C    22.2955  -14.5679
            19  C1b C    21.1633  -15.2751
            20  C1b C    22.2955  -14.5679
            21  C1b C    21.1633  -15.2751
            22  C1b C    22.2955  -14.5679
            23  C1b C    21.1633  -15.2751
            24  C1b C    22.2955  -14.5679
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     8   9 1
            5     9  10 1
            6     9  11 2
            7     3   8 1 #Up
            8     4  12 1 #Up
            9     4   5 1
            10    5   6 1
            11    6  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   23  24 1
            23   24   7 1


entry: D03421
name: --- - Cefaparole (USAN)
formula: C18H20N6O5S3
activity: Antibacterial
remark: Therapeutic category: 6132
kcf:
ATOM        32
            1   C1y C    18.0558  -15.9466
            2   N1y N    18.0558  -17.3462
            3   C2y C    19.2679  -18.0458
            4   C2y C    20.4800  -17.3462
            5   C1x C    20.4800  -15.9466
            6   S2x S    19.2679  -15.2468
            7   C1y C    16.6561  -15.9466
            8   C5x C    16.6561  -17.3462
            9   N1b N    15.4442  -15.2468
            10  C5a C    14.2320  -15.9466
            11  O5a O    14.2320  -17.3462
            12  O5x O    15.4442  -18.0458
            13  C1c C    13.0199  -15.2468
            14  C1b C    21.7107  -18.0570
            15  C6a C    19.2679  -19.4452
            16  O6a O    18.0390  -20.1549
            17  O6a O    20.4630  -20.1354
            18  C8y C    11.7883  -15.9583
            19  C8x C    10.5777  -15.2593
            20  C8x C     9.3671  -15.9583
            21  C8y C     9.3671  -17.3561
            22  C8x C    10.5777  -18.0550
            23  C8x C    11.7883  -17.3561
            24  N1a N    13.0199  -13.8426
            25  S2a S    22.9277  -17.3546
            26  C8y C    24.1395  -18.0545
            27  N5x N    24.5463  -19.3914
            28  N5x N    25.9465  -19.4216
            29  N4y N    26.4079  -18.0993
            30  S2x S    25.2929  -17.2518
            31  O1a O     8.1627  -18.0515
            32  C1a C    27.8079  -18.0993
BOND        35
            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     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   13  24 1 #Up
            27   14  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   26  30 1
            34   21  31 1
            35   29  32 1


entry: D03422
name: --- - Cefazaflur sodium (USAN)
formula: C13H12F3N6O4S3. Na
activity: Antibacterial
remark: Therapeutic category: 6132
kcf:
ATOM        30
            1   C1y C    27.2932  -14.1942
            2   N1y N    27.2932  -15.5936
            3   C2y C    28.5051  -16.2931
            4   C2y C    29.7170  -15.5936
            5   C1x C    29.7170  -14.1942
            6   S2x S    28.5051  -13.4945
            7   C1y C    25.8937  -14.1942
            8   C5x C    25.8937  -15.5936
            9   N1b N    24.6819  -13.4945
            10  C5a C    23.4699  -14.1942
            11  O5a O    23.4699  -15.5936
            12  O5x O    24.6819  -16.2931
            13  C1b C    22.2580  -13.4945
            14  C1b C    30.9475  -16.3043
            15  C6a C    28.5051  -17.6923
            16  O6a O    27.2764  -18.4019
            17  O0  O    29.7000  -18.3824 #-
            18  S2a S    21.0266  -14.2059
            19  C1d C    19.8162  -13.5070
            20  S2a S    32.1643  -15.6020
            21  C8y C    33.3760  -16.3018
            22  N5x N    33.8133  -17.6290
            23  N5x N    35.2137  -17.6269
            24  N5x N    35.6443  -16.2945
            25  N4y N    34.5103  -15.4731
            26  X   F    18.6039  -12.8071
            27  X   F    20.5138  -12.2986
            28  X   F    19.1141  -14.7231
            29  C1a C    34.5074  -14.0700
            30  Z   Na   31.2171  -18.4068 #+
BOND        31
            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     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   18  19 1
            21   14  20 1
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   21  25 1
            28   19  26 1
            29   19  27 1
            30   19  28 1
            31   25  29 1


entry: D03423
name: --- - Cefbuperazone (USAN)
formula: C22H29N9O9S2
activity: Antibacterial
remark: Therapeutic category: 6132
kcf:
ATOM        42
            1   C1y C    29.6623  -15.4821
            2   N1y N    29.6623  -16.8556
            3   C2y C    30.8518  -17.5422
            4   C2y C    32.0413  -16.8556
            5   C1x C    32.0413  -15.4821
            6   S2x S    30.8518  -14.7954
            7   C1z C    28.2888  -15.4821
            8   C5x C    28.2888  -16.8556
            9   N1b N    27.0995  -14.7954
            10  C5a C    25.9099  -15.4821
            11  O5a O    25.9099  -16.8556
            12  O5x O    27.0995  -17.5422
            13  C1c C    24.7205  -14.7954
            14  C1b C    33.2490  -17.5532
            15  C6a C    30.8518  -18.9154
            16  O6a O    29.6458  -19.6118
            17  O6a O    32.0246  -19.5926
            18  N1b N    23.5119  -15.4936
            19  C5a C    22.3239  -14.8076
            20  N1y N    21.1359  -15.4936
            21  C1c C    24.7205  -13.0740
            22  S2a S    34.4432  -16.8638
            23  C8y C    35.6324  -17.5507
            24  N5x N    36.0989  -18.8413
            25  N5x N    37.4726  -18.7996
            26  N5x N    37.8575  -17.4802
            27  N4y N    36.7217  -16.7065
            28  O2a O    28.2888  -13.2840
            29  C1a C    29.4757  -12.5987
            30  O1a O    25.9030  -12.3914
            31  C1a C    23.5383  -12.3915
            32  O5a O    22.3240  -13.4345
            33  C5x C    19.9564  -14.8125
            34  C5x C    18.7666  -15.4994
            35  N1y N    18.7665  -16.8733
            36  C1x C    19.9461  -17.5543
            37  C1x C    21.1358  -16.8675
            38  O5x O    19.9564  -13.4347
            39  O5x O    17.5585  -14.8016
            40  C1b C    17.5621  -17.5688
            41  C1a C    16.3777  -16.8851
            42  C1a C    36.7217  -15.3078
BOND        45
            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     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   18  19 1
            21   19  20 1
            22   13  21 1
            23   14  22 1
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   23  27 1
            30    7  28 1 #Down
            31   28  29 1
            32   21  30 1 #Down
            33   21  31 1
            34   19  32 2
            35   20  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   20  37 1
            41   33  38 2
            42   34  39 2
            43   35  40 1
            44   40  41 1
            45   27  42 1


entry: D03424
name: --- - Cefetamet (USAN)
formula: C14H15N5O5S2
activity: Antibacterial [veterinary]
remark: Therapeutic category: 6132
kcf:
ATOM        26
            1   C1y C    30.1629  -15.2577
            2   N1y N    30.1629  -16.6510
            3   C2y C    31.3697  -17.3476
            4   C2y C    32.5763  -16.6510
            5   C1x C    32.5763  -15.2577
            6   S2x S    31.3697  -14.5610
            7   C1y C    28.7695  -15.2577
            8   C5x C    28.7695  -16.6510
            9   N1b N    27.5631  -14.5610
            10  C5a C    26.3563  -15.2577
            11  O5a O    26.3563  -16.6510
            12  O5x O    27.5631  -17.3476
            13  C2c C    25.1496  -14.5610
            14  C1a C    33.8016  -17.3587
            15  C8y C    23.9235  -15.2693
            16  C8x C    22.7898  -14.4363
            17  S2x S    21.6425  -15.2558
            18  C8y C    22.0673  -16.6002
            19  N5x N    23.4771  -16.6116
            20  N2b N    25.1495  -13.1463
            21  O2a O    23.9338  -12.4446
            22  C1a C    22.7377  -13.1353
            23  C6a C    31.3697  -18.7576
            24  O6a O    32.5871  -19.4604
            25  O6a O    30.1540  -19.4596
            26  N1a N    21.2341  -17.7277
BOND        28
            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     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16   13  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   15  19 1
            22   13  20 2
            23   20  21 1
            24   21  22 1
            25    3  23 1
            26   23  24 1
            27   23  25 2
            28   18  26 1


entry: D03425
name: --- - Cefetecol (USAN)
formula: C23H22N4O9S2. 4H2O
activity: Antibacterial
remark: Therapeutic category: 6132
kcf:
ATOM        42
            1   O0  O    31.8304  -13.1523
            2   C1y C    32.6699  -16.8598
            3   N1y N    32.6699  -18.2590
            4   C2y C    33.8592  -18.9586
            5   C2x C    35.1184  -18.2590
            6   C1x C    35.1184  -16.8598
            7   S2x S    33.8592  -16.1602
            8   C1y C    31.2707  -16.8598
            9   C5x C    31.2707  -18.2590
            10  N1b N    30.0814  -16.1602
            11  C5a C    28.8921  -16.8598
            12  O5a O    28.8921  -18.2590
            13  O5x O    30.0814  -18.9586
            14  C2c C    27.6328  -16.1602
            15  C1b C    27.6328  -14.7611
            16  C6a C    33.8592  -20.3578
            17  O6a O    35.1184  -21.0573
            18  O6a O    32.6699  -21.0573
            19  N2b N    26.4270  -16.8698
            20  O2a O    25.2180  -16.1849
            21  C1c C    23.9984  -16.9028
            22  C8y C    22.7899  -16.2189
            23  C1b C    24.0107  -18.3288
            24  C6a C    22.7934  -19.0457
            25  O6a O    21.5778  -18.3578
            26  O6a O    22.8054  -20.4277
            27  C8x C    22.8480  -14.8313
            28  C8x C    21.5604  -14.1420
            29  C8y C    20.3547  -14.8519
            30  C8y C    20.3665  -16.2395
            31  C8x C    21.5842  -16.9288
            32  O1a O    19.1300  -14.1588
            33  O1a O    19.1579  -16.9511
            34  C8y C    26.4212  -14.0615
            35  C8x C    26.4212  -12.6623
            36  S2x S    25.0904  -12.2299
            37  C8y C    24.2680  -13.3619
            38  N5x N    25.0904  -14.4938
            39  C1a C    22.8900  -13.3620
            40  O0  O    31.8304  -13.1523
            41  O0  O    31.8304  -13.1523
            42  O0  O    31.8304  -13.1523
BOND        41
            1     2   3 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     2   8 1
            8     8   9 1
            9     3   9 1
            10    8  10 1 #Up
            11   10  11 1
            12   11  12 2
            13    9  13 2
            14   11  14 1
            15   14  15 1
            16    4  16 1
            17   16  17 1
            18   16  18 2
            19   14  19 2
            20   19  20 1
            21   20  21 1
            22   21  22 1 #Up
            23   21  23 1
            24   23  24 1
            25   24  25 1
            26   24  26 2
            27   22  27 2
            28   27  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 2
            32   22  31 1
            33   29  32 1
            34   30  33 1
            35   15  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 1
            39   37  38 2
            40   34  38 1
            41   37  39 1


entry: D03426
name: --- - Cefonicid monosodium (USAN)
formula: C18H17N6O8S3. Na
activity: Antibacterial
remark: Therapeutic category: 6132
kcf:
ATOM        36
            1   C1y C    28.1163  -14.8861
            2   N1y N    28.1163  -16.2847
            3   C2y C    29.3275  -16.9838
            4   C2y C    30.5388  -16.2847
            5   C1x C    30.5388  -14.8861
            6   S2x S    29.3275  -14.1868
            7   C1y C    26.7176  -14.8861
            8   C5x C    26.7176  -16.2847
            9   N1b N    25.5066  -14.1868
            10  C5a C    24.2952  -14.8861
            11  O5a O    24.2952  -16.2847
            12  O5x O    25.5066  -16.9838
            13  C1c C    23.0840  -14.1868
            14  C1b C    31.7686  -16.9949
            15  C6a C    29.3275  -18.3822
            16  O6a O    28.0995  -19.0914
            17  O6a O    30.5218  -19.0719
            18  C8y C    21.8533  -14.8977
            19  C8x C    20.6435  -14.1992
            20  C8x C    19.4338  -14.8977
            21  C8x C    19.4338  -16.2945
            22  C8x C    20.6435  -16.9930
            23  C8x C    21.8533  -16.2945
            24  O1a O    23.0840  -12.7836
            25  S2a S    32.9847  -16.2931
            26  C8y C    34.1957  -16.9925
            27  N5x N    34.6194  -18.2378
            28  N5x N    36.0186  -18.2682
            29  N5x N    36.4800  -16.9469
            30  N4y N    35.3659  -16.0999
            31  C1b C    35.3646  -14.6899
            32  S4a S    36.5611  -13.9977
            33  O0  O    37.7736  -13.2977 #-
            34  O3c O    35.8565  -12.7782
            35  O3c O    37.2572  -15.2024
            36  Z   Na   39.2700  -13.3000 #+
BOND        38
            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     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   13  24 1 #Up
            27   14  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   26  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   32  34 2
            38   32  35 2


entry: D03427
name: --- - Cefpimizole (USAN)
formula: C28H26N6O10S2
activity: Antibacterial
remark: Therapeutic category: 6132
kcf:
ATOM        46
            1   C1y C    21.4723  -21.2921
            2   N1y N    21.4723  -22.6656
            3   C2y C    22.6618  -23.3522
            4   C2y C    23.8513  -22.6656
            5   C1x C    23.8513  -21.2921
            6   S2x S    22.6618  -20.6054
            7   C1y C    20.0988  -21.2921
            8   C5x C    20.0988  -22.6656
            9   N1b N    18.9095  -20.6054
            10  C5a C    17.7199  -21.2921
            11  O5a O    17.7199  -22.6656
            12  O5x O    18.9095  -23.3522
            13  C1c C    16.5305  -20.6054
            14  C1b C    25.0590  -23.3632
            15  C6a C    22.6618  -24.7254
            16  O6a O    21.4558  -25.4218
            17  O6a O    23.8346  -25.4026
            18  N1b N    15.3219  -21.3036
            19  C5a C    14.1339  -20.6176
            20  O5a O    14.1340  -19.2445
            21  N5y N    26.2650  -22.6673 #+
            22  C8x C    27.4713  -23.3643
            23  C8x C    28.6840  -22.6647
            24  C8y C    28.6845  -21.2647
            25  C8x C    27.4782  -20.5677
            26  C8x C    26.2655  -21.2673
            27  C1b C    29.9020  -20.5622
            28  C1b C    31.1128  -21.2617
            29  S4a S    32.2929  -20.5808
            30  O0  O    33.5054  -19.8808 #-
            31  O3c O    32.9864  -21.7828
            32  O3c O    31.5872  -19.3578
            33  C8y C    16.5305  -19.1800
            34  C8x C    17.7351  -18.4846
            35  C8x C    17.7350  -17.0846
            36  C8x C    16.5226  -16.3846
            37  C8x C    15.3181  -17.0801
            38  C8x C    15.3181  -18.4801
            39  C8y C    12.9122  -21.3226
            40  C8x C    11.7837  -20.5013
            41  N4x N    10.6496  -21.3223
            42  C8y C    11.0799  -22.6545
            43  N5x N    12.4799  -22.6569
            44  C6a C    10.3778  -23.8657
            45  O6a O    11.0757  -25.0794
            46  O6a O     8.9600  -23.8632
BOND        50
            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     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   18  19 1
            21   19  20 2
            22   14  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   21  26 1
            29   24  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   29  31 2
            34   29  32 2
            35   13  33 1 #Down
            36   33  34 2
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   33  38 1
            42   19  39 1
            43   39  40 2
            44   40  41 1
            45   41  42 1
            46   42  43 2
            47   39  43 1
            48   42  44 1
            49   44  45 1
            50   44  46 2


entry: D03428
name: --- - Cefpiramide (USP)
formula: C25H24N8O7S2
activity: Antibacterial
remark: Therapeutic category: 6132
kcf:
ATOM        42
            1   C1y C    30.5354  -22.8349
            2   N1y N    30.5354  -24.2027
            3   C2y C    31.7200  -24.8864
            4   C2y C    32.9045  -24.2027
            5   C1x C    32.9045  -22.8349
            6   S2x S    31.7200  -22.1511
            7   C1y C    29.1676  -22.8349
            8   C5x C    29.1676  -24.2027
            9   N1b N    27.9833  -22.1511
            10  C5a C    26.7988  -22.8349
            11  O5a O    26.7988  -24.2027
            12  O5x O    27.9833  -24.8864
            13  C1c C    25.6143  -22.1511
            14  C1b C    34.1071  -24.8974
            15  C6a C    31.7200  -26.2540
            16  O6a O    30.5190  -26.9475
            17  O6a O    32.8878  -26.9283
            18  N1b N    24.4107  -22.8464
            19  C5a C    23.2276  -22.1633
            20  S2a S    35.2963  -24.2109
            21  C8y C    36.4805  -24.8949
            22  N5x N    36.9451  -26.2501
            23  N5x N    38.3131  -26.2083
            24  N5x N    38.6965  -24.8247
            25  N4y N    37.5653  -24.0543
            26  C1a C    37.5653  -22.6615
            27  C8y C    22.0111  -22.8654
            28  C8y C    25.6140  -20.7200
            29  C8x C    26.8308  -20.0171
            30  C8x C    26.8305  -18.6171
            31  C8y C    25.6179  -17.9174
            32  C8x C    24.4011  -18.6203
            33  C8x C    24.4014  -20.0203
            34  O1a O    25.6176  -16.5200
            35  O5a O    23.2280  -20.7901
            36  C8y C    20.7867  -22.1578
            37  C8x C    19.5740  -22.8573
            38  C8y C    19.5734  -24.2573
            39  N5x N    20.7978  -24.9649
            40  C8x C    22.0106  -24.2654
            41  O1a O    20.7873  -20.7900
            42  C1a C    18.3671  -24.9534
BOND        46
            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     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   18  19 1
            21   14  20 1
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   21  25 1
            28   25  26 1
            29   19  27 1
            30   13  28 1 #Down
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   28  33 1
            37   31  34 1
            38   19  35 2
            39   27  36 2
            40   36  37 1
            41   37  38 2
            42   38  39 1
            43   39  40 2
            44   27  40 1
            45   36  41 1
            46   38  42 1


entry: D03429
name: --- - Cefquinome sulfate (USAN)
formula: C22H24N7O5S2. H2SO4
activity: Antibacterial [veterinary]
kcf:
ATOM        41
            1   S4a S    23.1771  -19.3754
            2   O3c O    23.1771  -17.9671
            3   O1d O    21.7788  -19.3619
            4   O1d O    24.5747  -19.3688
            5   O3c O    23.1697  -20.7668
            6   C1y C    14.0911  -16.1803
            7   N1y N    14.0911  -17.5756
            8   C2y C    15.2770  -18.2733
            9   C2y C    16.4631  -17.5756
            10  C1x C    16.4631  -16.1803
            11  S2x S    15.2770  -15.4826
            12  C1y C    12.6957  -16.1803
            13  C5x C    12.6957  -17.5756
            14  N1b N    11.4399  -15.4826
            15  C5a C    10.2540  -16.1803
            16  O5a O    10.2540  -17.5756
            17  O5x O    11.4399  -18.2733
            18  C2c C     9.0679  -15.4826
            19  C1b C    17.7189  -18.2733
            20  C8y C     7.8121  -16.1803
            21  N5x N     6.7656  -15.3430
            22  S2x S     5.5796  -16.1105
            23  C8y C     5.9982  -17.5058
            24  N5x N     7.3934  -17.5058
            25  N2b N     9.0679  -14.0872
            26  O2a O     7.8818  -13.3896
            27  C1a C     6.6957  -14.0174
            28  C6a C    15.2770  -19.6686
            29  O6a O    16.4631  -20.3663
            30  O6a O    14.0213  -20.3663
            31  N1a N     5.1610  -18.6220
            32  N5y N    18.9145  -17.5565 #+
            33  C8x C    20.1270  -18.2565
            34  C8x C    21.3394  -17.5565
            35  C8x C    21.3394  -16.1565
            36  C8y C    20.1270  -15.4565
            37  C8y C    18.9145  -16.1565
            38  C1x C    20.1270  -14.0565
            39  C1x C    18.9145  -13.3565
            40  C1x C    17.7021  -14.0565
            41  C1x C    17.7021  -15.4565
BOND        44
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     6   7 1
            6     7   8 1
            7     8   9 2
            8     9  10 1
            9    10  11 1
            10    6  11 1
            11    6  12 1
            12   12  13 1
            13    7  13 1
            14   12  14 1 #Up
            15   14  15 1
            16   15  16 2
            17   13  17 2
            18   15  18 1
            19    9  19 1
            20   18  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 1
            24   23  24 2
            25   20  24 1
            26   18  25 2
            27   25  26 1
            28   26  27 1
            29    8  28 1
            30   28  29 1
            31   28  30 2
            32   23  31 1
            33   19  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   32  37 1
            40   36  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   37  41 1


entry: D03430
name: --- - Ceftiofur hydrochloride (USAN)
formula: C19H17N5O7S3. HCl
activity: Antibacterial [veterinary]
kcf:
ATOM        35
            1   X   Cl    7.5375  -19.9240
            2   C1y C    13.5542  -16.1644
            3   N1y N    13.5542  -17.5576
            4   C2y C    14.7609  -18.2541
            5   C2y C    15.9674  -17.5576
            6   C1x C    15.9674  -16.1644
            7   S2x S    14.7609  -15.4678
            8   C1y C    12.1609  -16.1644
            9   C5x C    12.1609  -17.5576
            10  N1b N    10.9546  -15.4678
            11  C5a C     9.7479  -16.1644
            12  O5a O     9.7479  -17.5576
            13  O5x O    10.9546  -18.2541
            14  C2c C     8.5413  -15.4678
            15  C1b C    17.1925  -18.2653
            16  C8y C     7.3155  -16.1760
            17  C8x C     6.1818  -15.3431
            18  S2x S     5.0346  -16.1625
            19  C8y C     5.4594  -17.5767
            20  N5x N     6.8690  -17.5882
            21  N2b N     8.5412  -14.0532
            22  O2a O     7.3258  -13.3516
            23  C6a C    14.7609  -19.6640
            24  O6a O    15.9781  -20.3667
            25  O6a O    13.5453  -20.3659
            26  S2a S    18.3673  -17.5878
            27  C5a C    19.5714  -18.2837
            28  C8y C    20.7574  -17.5998
            29  C8x C    20.7574  -16.1979
            30  O2x O    22.0906  -18.0330
            31  C8x C    22.9146  -16.8988
            32  C8x C    22.0906  -15.7647
            33  N1a N     4.6534  -18.7082
            34  C1a C     6.1240  -14.0459
            35  O5a O    19.5711  -19.6697
BOND        37
            1     2   3 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     2   8 1
            8     8   9 1
            9     3   9 1
            10    8  10 1 #Up
            11   10  11 1
            12   11  12 2
            13    9  13 2
            14   11  14 1
            15    5  15 1
            16   14  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   16  20 1
            22   14  21 2
            23   21  22 1
            24    4  23 1
            25   23  24 1
            26   23  25 2
            27   15  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 2
            31   28  30 1
            32   30  31 1
            33   31  32 2
            34   29  32 1
            35   19  33 1
            36   22  34 1
            37   27  35 2


entry: D03431
name: --- - Cefuroxime pivoxetil (USAN)
formula: C23H28N4O11S
activity: Antibacterial
remark: Therapeutic category: 6132
kcf:
ATOM        39
            1   C1y C    27.7230  -14.7915
            2   N1y N    27.7230  -16.1622
            3   C2y C    28.9104  -16.8475
            4   C2y C    30.0974  -16.1622
            5   C1x C    30.0974  -14.7915
            6   S2x S    28.9104  -14.1061
            7   C1y C    26.3522  -14.7915
            8   C5x C    26.3522  -16.1622
            9   N1b N    25.1652  -14.1061
            10  C5a C    23.9780  -14.7915
            11  O5a O    23.9780  -16.1622
            12  O5x O    25.1652  -16.8475
            13  C2c C    22.7908  -14.1061
            14  C1b C    31.3026  -16.8585
            15  C7a C    28.9104  -19.2491
            16  O7a O    27.7065  -19.9442
            17  O7a O    30.0807  -19.9250
            18  C8y C    21.5847  -14.8029
            19  O2x O    20.4537  -14.0065
            20  C8x C    19.3423  -14.8363
            21  C8x C    19.7879  -16.1497
            22  C8x C    21.1747  -16.2020
            23  N2b N    22.7907  -12.7144
            24  O2a O    21.5951  -12.0243
            25  C1a C    20.4188  -12.7037
            26  O7a O    32.5066  -16.1639
            27  C7a C    33.6702  -16.8363
            28  N1a N    34.8419  -16.1601
            29  O7a O    33.6698  -18.2140
            30  C1c C    26.5267  -19.2627
            31  O7a O    25.3705  -19.9300
            32  C7a C    24.1960  -19.2515
            33  C1d C    23.0302  -19.9242
            34  C1a C    26.5264  -17.8675
            35  O7a O    24.1962  -17.8674
            36  C1a C    21.8178  -20.6242
            37  O2a O    22.3413  -18.7311
            38  C1a C    23.7414  -21.1558
            39  C1a C    20.9303  -18.7309
BOND        41
            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     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 1
            18   15  17 2
            19   13  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   18  22 2
            25   13  23 2
            26   23  24 1
            27   24  25 1
            28   14  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2
            32   16  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   30  34 1
            37   32  35 2
            38   33  36 1
            39   33  37 1
            40   33  38 1
            41   37  39 1


entry: D03432
name: --- - Cefuzonam
formula: C16H15N7O5S4
remark: Therapeutic category: 6132
kcf:
ATOM        32
            1   C1y C    29.7221  -14.4944
            2   N1y N    29.7221  -15.8824
            3   C2y C    30.9243  -16.5762
            4   C2y C    32.1262  -15.8824
            5   C1x C    32.1262  -14.4944
            6   S2x S    30.9243  -13.8005
            7   C1y C    28.3341  -14.4944
            8   C5x C    28.3341  -15.8824
            9   N1b N    27.1323  -13.8005
            10  C5a C    25.9301  -14.4944
            11  O5a O    25.9301  -15.8824
            12  O5x O    27.1323  -16.5762
            13  C2c C    24.7281  -13.8005
            14  C1b C    33.3467  -16.5873
            15  C8y C    23.5068  -14.5060
            16  S2a S    34.5536  -15.8908
            17  C8y C    35.7552  -16.5849
            18  C8x C    22.3987  -13.6479
            19  S2x S    21.2361  -14.4358
            20  C8y C    21.6261  -15.7850
            21  N5x N    23.0298  -15.8310
            22  N2b N    24.7280  -12.3911
            23  O2a O    23.5171  -11.6920
            24  C1a C    22.3257  -12.3802
            25  C8x C    36.1674  -17.9228
            26  N5x N    37.5671  -17.9439
            27  N5x N    38.0197  -16.6194
            28  S2x S    36.8999  -15.7796
            29  N1a N    20.7516  -16.9091
            30  C6a C    30.9242  -17.9899
            31  O6a O    29.7236  -18.6831
            32  O6a O    32.1485  -18.6969
BOND        35
            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     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16   13  15 1
            17   14  16 1
            18   16  17 1
            19   15  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   15  21 1
            24   13  22 2
            25   22  23 1
            26   23  24 1
            27   17  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   17  28 1
            32   20  29 1
            33    3  30 1
            34   30  31 2
            35   30  32 1


entry: D03433
name: --- - Celgosivir hydrochloride (USAN)
formula: C13H22O5. HCl
activity: Antiviral; Inhibitor [alpha-glucosidase]
remark: Therapeutic category: 6250
kcf:
ATOM        19
            1   C1y C    19.6000   -5.9500
            2   C1y C    19.6000   -7.3500
            3   C1x C    20.8124   -8.0500
            4   C1y C    22.0249   -7.3500
            5   C1y C    22.0249   -5.9500
            6   C1y C    20.8124   -5.2500
            7   C1x C    24.4497   -7.3500
            8   C1x C    24.4497   -5.9500
            9   C1y C    23.2373   -5.2500
            10  O1a O    18.3876   -5.2500
            11  O1a O    20.8124   -3.8502
            12  O7a O    18.3876   -8.0500
            13  O1a O    23.2373   -3.8500
            14  C7a C    17.1921   -7.3596
            15  C1b C    16.0047   -8.0451
            16  O7a O    17.1920   -5.9503
            17  C1b C    14.8135   -7.3571
            18  C1a C    13.6240   -8.0438
            19  X   Cl   26.8800   -6.7200
BOND        19
            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    5   9 1
            11    1  10 1 #Up
            12    6  11 1 #Down
            13    2  12 1 #Down
            14    9  13 1 #Up
            15   12  14 1
            16   14  15 1
            17   14  16 2
            18   15  17 1
            19   17  18 1


entry: D03438
name: --- - Cephalexin hydrochloride (USP) - Keftab (TN)
formula: C16H17N3O4S. H2O. HCl
activity: Antibacterial
remark: Therapeutic category: 6132
kcf:
ATOM        26
            1   C1y C    28.7441  -14.8853
            2   N1y N    28.7441  -16.2838
            3   C2y C    29.9553  -16.9829
            4   C2y C    31.1665  -16.2838
            5   C1x C    31.1665  -14.8853
            6   S2x S    29.9553  -14.1860
            7   C1y C    27.3456  -14.8853
            8   C5x C    27.3456  -16.2838
            9   N1b N    26.1345  -14.1860
            10  C5a C    24.9231  -14.8853
            11  O5a O    24.9231  -16.2838
            12  O5x O    26.1345  -16.9829
            13  C1c C    23.7120  -14.1860
            14  C1a C    32.3963  -16.9941
            15  C6a C    29.9553  -18.3813
            16  O6a O    28.7273  -19.0904
            17  O6a O    31.1495  -19.0709
            18  C8y C    22.4814  -14.8969
            19  C8x C    21.2718  -14.1985
            20  C8x C    20.0621  -14.8969
            21  C8x C    20.0621  -16.2937
            22  C8x C    21.2718  -16.9921
            23  C8x C    22.4814  -16.2937
            24  N1a N    23.7120  -12.7829
            25  O0  O    34.1455  -15.0437
            26  X   Cl   33.7400  -13.3700
BOND        26
            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     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   13  24 1 #Up


entry: D03439
name: --- - Cephaloglycin (USAN) - Cephaloglycin dihydrate - Kefocin (TN) - CEG
formula: C18H19N3O6S. 2H2O
activity: Antibacterial
remark: Therapeutic category: 6132
kcf:
ATOM        30
            1   O0  O    37.5200  -17.5700
            2   C1y C    31.2057  -18.1112
            3   N1y N    31.2057  -19.5103
            4   C2y C    32.4173  -20.2097
            5   C2y C    33.6290  -19.5103
            6   C1x C    33.6290  -18.1112
            7   S2x S    32.4173  -17.4117
            8   C1y C    29.8065  -18.1112
            9   C5x C    29.8065  -19.5103
            10  N1b N    28.5950  -17.4117
            11  C5a C    27.3832  -18.1112
            12  O5a O    27.3832  -19.5103
            13  O5x O    28.5950  -20.2097
            14  C1c C    26.1716  -17.4117
            15  C1b C    34.8593  -20.2209
            16  C6a C    32.4173  -21.6086
            17  O6a O    31.1889  -22.3180
            18  O6a O    33.6120  -22.2985
            19  C8y C    24.9404  -18.1229
            20  C8x C    23.7303  -17.4242
            21  C8x C    22.5201  -18.1229
            22  C8x C    22.5201  -19.5202
            23  C8x C    23.7303  -20.2189
            24  C8x C    24.9404  -19.5202
            25  N1a N    26.1716  -16.0080
            26  O7a O    36.0758  -19.5187
            27  C7a C    37.2872  -20.2184
            28  C1a C    38.4676  -19.5371
            29  O7a O    37.2874  -21.6370
            30  O0  O    37.5200  -17.5700
BOND        30
            1     2   3 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     2   8 1
            8     8   9 1
            9     3   9 1
            10    8  10 1 #Up
            11   10  11 1
            12   11  12 2
            13    9  13 2
            14   11  14 1
            15    5  15 1
            16    4  16 1
            17   16  17 2
            18   16  18 1
            19   14  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   14  25 1 #Up
            27   15  26 1
            28   26  27 1
            29   27  28 1
            30   27  29 2


entry: D03440
name: --- - Ceronapril (USAN)
formula: C21H33N2O6P
activity: Antihypertensive
remark: Therapeutic category: 2144
kcf:
ATOM        30
            1   N1y N    39.2629  -19.3281
            2   C1x C    40.5499  -19.8956
            3   C5a C    38.0519  -20.0242
            4   C1y C    39.4149  -17.9357
            5   C1x C    41.4860  -18.8543
            6   C1c C    36.8409  -19.3221
            7   O5a O    38.0519  -21.4225
            8   C1x C    40.7898  -17.6432
            9   O2b O    35.6241  -20.0242
            10  C1b C    36.8409  -17.9240
            11  P1b P    34.4131  -19.3221
            12  C1b C    33.2020  -20.0184
            13  C1b C    31.9910  -19.3221
            14  C1b C    30.7800  -20.0184
            15  C1b C    29.5690  -19.3164
            16  C8y C    28.3523  -20.0184
            17  O1c O    33.2005  -18.6221
            18  O3b O    35.6256  -18.6221
            19  C8x C    27.1405  -19.3183
            20  C8x C    25.9278  -20.0181
            21  C8x C    25.9274  -21.4182
            22  C8x C    27.1391  -22.1183
            23  C8x C    28.3519  -21.4185
            24  C1b C    35.6111  -17.2140
            25  C1b C    35.6111  -15.8140
            26  C1b C    34.4155  -15.1237
            27  C6a C    39.4149  -16.5357
            28  O6a O    40.6304  -15.8340
            29  O6a O    38.1920  -15.8297
            30  N1a N    34.4155  -13.7237
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     6   9 1
            9     6  10 1 #Up
            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    5   8 1
            17   11  17 1
            18   11  18 2
            19   16  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   16  23 1
            25   10  24 1
            26   24  25 1
            27   25  26 1
            28    4  27 1 #Down
            29   27  28 1
            30   27  29 2
            31   26  30 1


entry: D03442
name: --- - Ceruletide (USAN)
formula: C58H73N13O21S2
activity: Stimulant [gastric secretory]
kcf:
ATOM        94
            1   C1y C    17.6954  -19.4210
            2   N1x N    16.4196  -18.8530
            3   C5x C    15.4852  -19.8908
            4   C1x C    16.1834  -21.1001
            5   C1x C    17.5494  -20.8097
            6   O5x O    14.0747  -19.7422
            7   C5a C    18.9047  -18.7228
            8   N1b N    20.1141  -19.4210
            9   C1c C    21.3235  -18.7228
            10  C5a C    22.5328  -19.4210
            11  N1b N    23.7422  -18.7228
            12  C1c C    24.9515  -19.4210
            13  C5a C    26.1608  -18.7228
            14  N1b N    27.3702  -19.4210
            15  C1c C    28.5795  -18.7228
            16  C5a C    29.7889  -19.4210
            17  N1b N    30.9982  -18.7228
            18  C1c C    32.2075  -19.4210
            19  C5a C    33.4170  -18.7228
            20  N1b N    34.6263  -19.4210
            21  C1b C    35.8356  -18.7228
            22  C5a C    37.0450  -19.4210
            23  N1b N    38.2543  -18.7228
            24  C1c C    39.4636  -19.4210
            25  C5a C    40.6730  -18.7228
            26  N1b N    41.8824  -19.4210
            27  C1c C    43.0917  -18.7228
            28  C5a C    44.3011  -19.4210
            29  N1b N    45.5104  -18.7228
            30  C1c C    46.7198  -19.4210
            31  C5a C    47.9291  -18.7228
            32  N1b N    49.1384  -19.4210
            33  C1c C    50.3479  -18.7228
            34  C5a C    51.5572  -19.4210
            35  N1a N    52.7665  -18.7228
            36  O5a O    18.9047  -17.3266
            37  O5a O    22.5328  -20.8173
            38  O5a O    26.1608  -17.3265
            39  O5a O    29.7889  -20.8173
            40  O5a O    33.4170  -17.3264
            41  O5a O    37.0450  -20.8174
            42  O5a O    40.6730  -17.3264
            43  O5a O    44.3011  -20.8174
            44  O5a O    47.9291  -17.3264
            45  O5a O    51.5572  -20.8174
            46  C1b C    24.9515  -20.8174
            47  C1b C    21.3235  -17.3264
            48  C1b C    28.5795  -17.3264
            49  C1b C    50.3479  -17.3266
            50  C1b C    43.0917  -17.3265
            51  C1b C    46.7198  -20.8172
            52  C1b C    39.4636  -20.8173
            53  C1b C    22.5349  -16.6269
            54  C5a C    22.5349  -15.2319
            55  N1a N    23.7279  -14.5430
            56  O5a O    21.3092  -14.5241
            57  C6a C    26.1649  -21.5179
            58  O6a O    27.3593  -20.8282
            59  O6a O    26.1649  -22.9119
            60  C8y C    29.7949  -16.6246
            61  C8x C    30.9904  -17.3150
            62  C8x C    32.1998  -16.6169
            63  C8y C    32.2000  -15.2204
            64  C8x C    31.0044  -14.5301
            65  C8x C    29.7950  -15.2282
            66  O2a O    33.4180  -14.5171
            67  S4a S    33.4179  -13.1372
            68  O3c O    33.4179  -11.7407
            69  O3c O    32.0089  -13.1372
            70  O1d O    34.8017  -13.1371
            71  C8y C    40.6851  -21.5226
            72  C8y C    40.8299  -22.9025
            73  C8y C    42.1871  -23.1912
            74  N4x N    42.8810  -21.9896
            75  C8x C    41.9527  -20.9585
            76  C8x C    39.8954  -23.9401
            77  C8x C    40.3267  -25.2682
            78  C8x C    41.6839  -25.5569
            79  C8x C    42.6184  -24.5193
            80  C1b C    44.3152  -16.6201
            81  S2a S    44.3150  -15.2318
            82  C1a C    45.5112  -14.5410
            83  C6a C    47.9452  -21.5249
            84  O6a O    49.1457  -20.8318
            85  O6a O    47.9450  -22.9120
            86  C8y C    51.5752  -16.6177
            87  C8x C    52.7768  -17.3114
            88  C8x C    53.9861  -16.6131
            89  C8x C    53.9860  -15.2166
            90  C8x C    52.7845  -14.5230
            91  C8x C    51.5752  -15.2212
            92  C1c C    32.2073  -20.7900
            93  O1a O    30.9893  -21.4930
            94  C1a C    33.4142  -21.4870
BOND        98
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 2
            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 1
            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   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  33 1
            33   33  34 1
            34   34  35 1
            35    7  36 2
            36   10  37 2
            37   13  38 2
            38   16  39 2
            39   19  40 2
            40   22  41 2
            41   25  42 2
            42   28  43 2
            43   31  44 2
            44   34  45 2
            45   12  46 1 #Down
            46    9  47 1 #Up
            47   15  48 1 #Up
            48   33  49 1 #Up
            49   27  50 1 #Up
            50   30  51 1 #Down
            51   24  52 1 #Down
            52   47  53 1
            53   53  54 1
            54   54  55 1
            55   54  56 2
            56   46  57 1
            57   57  58 1
            58   57  59 2
            59   48  60 1
            60   60  61 2
            61   61  62 1
            62   62  63 2
            63   63  64 1
            64   64  65 2
            65   60  65 1
            66   63  66 1
            67   66  67 1
            68   67  68 2
            69   67  69 2
            70   67  70 1
            71   52  71 1
            72   71  72 1
            73   72  73 1
            74   73  74 1
            75   74  75 1
            76   71  75 2
            77   72  76 2
            78   76  77 1
            79   77  78 2
            80   78  79 1
            81   73  79 2
            82   50  80 1
            83   80  81 1
            84   81  82 1
            85   51  83 1
            86   83  84 1
            87   83  85 2
            88   49  86 1
            89   86  87 2
            90   87  88 1
            91   88  89 2
            92   89  90 1
            93   90  91 2
            94   86  91 1
            95    1   7 1 #Down
            96   18  92 1
            97   92  93 1 #Up
            98   92  94 1


entry: D03443
name: --- - Ceruletide diethylamine (USAN) - Tymtran (TN)
formula: C58H73N13O21S2. (C4H11N)x
activity: Stimulant [gastric secretory]
remark: Therapeutic category: 7229
kcf:
ATOM        99
            1   C1y C     5.4079  -16.7502
            2   N1x N     4.1282  -16.1805
            3   C5x C     3.1909  -17.2215
            4   C1x C     3.8912  -18.4344
            5   C1x C     5.2614  -18.1432
            6   O5x O     1.7761  -17.0724
            7   C5a C     6.6208  -16.0499
            8   N1b N     7.8339  -16.7502
            9   C1c C     9.0469  -16.0499
            10  C5a C    10.2600  -16.7502
            11  N1b N    11.4731  -16.0499
            12  C1c C    12.6860  -16.7502
            13  C5a C    13.8990  -16.0499
            14  N1b N    15.1121  -16.7502
            15  C1c C    16.3251  -16.0499
            16  C5a C    17.5382  -16.7502
            17  N1b N    18.7512  -16.0499
            18  C1c C    19.9642  -16.7502
            19  C5a C    21.1774  -16.0499
            20  N1b N    22.3904  -16.7502
            21  C1b C    23.6034  -16.0499
            22  C5a C    24.8165  -16.7502
            23  N1b N    26.0295  -16.0499
            24  C1c C    27.2424  -16.7502
            25  C5a C    28.4556  -16.0499
            26  N1b N    29.6687  -16.7502
            27  C1c C    30.8817  -16.0499
            28  C5a C    32.0948  -16.7502
            29  N1b N    33.3078  -16.0499
            30  C1c C    34.5209  -16.7502
            31  C5a C    35.7338  -16.0499
            32  N1b N    36.9468  -16.7502
            33  C1c C    38.1600  -16.0499
            34  C5a C    39.3730  -16.7502
            35  N1a N    40.5860  -16.0499
            36  O5a O     6.6208  -14.6494
            37  O5a O    10.2600  -18.1508
            38  O5a O    13.8990  -14.6493
            39  O5a O    17.5382  -18.1508
            40  O5a O    21.1774  -14.6492
            41  O5a O    24.8165  -18.1509
            42  O5a O    28.4556  -14.6492
            43  O5a O    32.0948  -18.1509
            44  O5a O    35.7338  -14.6492
            45  O5a O    39.3730  -18.1509
            46  C1b C    12.6860  -18.1509
            47  C1b C     9.0469  -14.6492
            48  C1b C    16.3251  -14.6492
            49  C1b C    38.1600  -14.6494
            50  C1b C    30.8817  -14.6493
            51  C1b C    34.5209  -18.1507
            52  C1b C    27.2424  -18.1508
            53  C1b C    10.2621  -13.9476
            54  C5a C    10.2621  -12.5483
            55  N1a N    11.4588  -11.8573
            56  O5a O     9.0326  -11.8384
            57  C6a C    13.9031  -18.8535
            58  O6a O    15.1012  -18.1617
            59  O6a O    13.9031  -20.2518
            60  C8y C    17.5442  -13.9453
            61  C8x C    18.7434  -14.6378
            62  C8x C    19.9565  -13.9376
            63  C8y C    19.9567  -12.5368
            64  C8x C    18.7574  -11.8444
            65  C8x C    17.5443  -12.5446
            66  O2a O    21.1784  -11.8313
            67  S4a S    21.1783  -10.4472
            68  O3c O    21.1783   -9.0465
            69  O3c O    19.7650  -10.4472
            70  O1d O    22.5663  -10.4471
            71  C8y C    28.4678  -18.8582
            72  C8y C    28.6130  -20.2424
            73  C8y C    29.9744  -20.5319
            74  N4x N    30.6704  -19.3267
            75  C8x C    29.7392  -18.2924
            76  C8x C    27.6756  -21.2831
            77  C8x C    28.1083  -22.6153
            78  C8x C    29.4696  -22.9049
            79  C8x C    30.4070  -21.8641
            80  C1b C    32.1090  -13.9408
            81  S2a S    32.1088  -12.5482
            82  C1a C    33.3086  -11.8553
            83  C6a C    35.7500  -18.8605
            84  O6a O    36.9541  -18.1653
            85  O6a O    35.7498  -20.2519
            86  C8y C    39.3910  -13.9384
            87  C8x C    40.5963  -14.6342
            88  C8x C    41.8093  -13.9337
            89  C8x C    41.8092  -12.5330
            90  C8x C    40.6040  -11.8373
            91  C8x C    39.3910  -12.5376
            92  C1c C    19.9640  -18.1235
            93  O1a O    18.7424  -18.8285
            94  C1a C    21.1746  -18.8226
            95  C1a C    29.6800  -10.0100
            96  C1b C    30.9400   -9.3100
            97  N1b N    32.1300  -10.0100
            98  C1b C    33.3200   -9.3100
            99  C1a C    34.5800  -10.0100
BOND        102
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 2
            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 1
            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   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  33 1
            33   33  34 1
            34   34  35 1
            35    7  36 2
            36   10  37 2
            37   13  38 2
            38   16  39 2
            39   19  40 2
            40   22  41 2
            41   25  42 2
            42   28  43 2
            43   31  44 2
            44   34  45 2
            45   12  46 1 #Down
            46    9  47 1 #Up
            47   15  48 1 #Up
            48   33  49 1 #Up
            49   27  50 1 #Up
            50   30  51 1 #Down
            51   24  52 1 #Down
            52   47  53 1
            53   53  54 1
            54   54  55 1
            55   54  56 2
            56   46  57 1
            57   57  58 1
            58   57  59 2
            59   48  60 1
            60   60  61 2
            61   61  62 1
            62   62  63 2
            63   63  64 1
            64   64  65 2
            65   60  65 1
            66   63  66 1
            67   66  67 1
            68   67  68 2
            69   67  69 2
            70   67  70 1
            71   52  71 1
            72   71  72 1
            73   72  73 1
            74   73  74 1
            75   74  75 1
            76   71  75 2
            77   72  76 2
            78   76  77 1
            79   77  78 2
            80   78  79 1
            81   73  79 2
            82   50  80 1
            83   80  81 1
            84   81  82 1
            85   51  83 1
            86   83  84 1
            87   83  85 2
            88   49  86 1
            89   86  87 2
            90   87  88 1
            91   88  89 2
            92   89  90 1
            93   90  91 2
            94   86  91 1
            95    1   7 1 #Down
            96   18  92 1
            97   92  93 1 #Up
            98   92  94 1
            99   95  96 1
            100  96  97 1
            101  97  98 1
            102  98  99 1


entry: D03446
name: --- - Cesium chloride Cs 131 (USAN) - Cescan-131 (TN)
formula: Cs. Cl
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        2
            1   Z   Cs    8.8200  -12.1800 #+
            2   X   Cl   11.7600  -12.1800 #-
BOND        0


entry: D03447
name: --- - Cetaben sodium (USAN)
formula: C23H38NO2. Na
activity: Antihyperlipoproteinemic
remark: Therapeutic category: 2189
kcf:
ATOM        27
            1   C8y C    35.8974  -15.9898
            2   C8x C    35.8974  -14.5874
            3   C8x C    34.7053  -13.8862
            4   C8y C    33.4431  -14.5874
            5   C8x C    33.4431  -15.9898
            6   C8x C    34.7053  -16.6910
            7   C6a C    37.0895  -16.6910
            8   O0  O    38.2816  -15.9898 #-
            9   O6a O    37.0895  -18.0935
            10  N1b N    32.2510  -13.8862
            11  C1b C    31.0590  -14.5874
            12  C1b C    29.8387  -13.8961
            13  C1b C    28.6524  -14.5874
            14  C1a C    27.4377  -13.8862
            15  Z   Na   39.9730  -16.0313 #+
            16  C1b C    31.0590  -14.5874
            17  C1b C    29.8387  -13.8961
            18  C1b C    31.0590  -14.5874
            19  C1b C    29.8387  -13.8961
            20  C1b C    31.0590  -14.5874
            21  C1b C    29.8387  -13.8961
            22  C1b C    31.0590  -14.5874
            23  C1b C    29.8387  -13.8961
            24  C1b C    31.0590  -14.5874
            25  C1b C    29.8387  -13.8961
            26  C1b C    31.0590  -14.5874
            27  C1b C    29.8387  -13.8961
BOND        26
            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     1   7 1
            8     7   8 1
            9     7   9 2
            10    4  10 1
            11   13  14 1
            12   10  11 1
            13   11  12 1
            14   12  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  13 1


entry: D03448
name: --- - Cetalkonium chloride (USAN) - Zettyn (TN)
formula: C25H46N. Cl
activity: Anti-infective, topical
kcf:
ATOM        27
            1   C8x C    38.0749  -16.6941
            2   C8x C    38.0749  -15.2914
            3   C8x C    36.8826  -14.5901
            4   C8y C    35.6201  -15.2914
            5   C8x C    35.6201  -16.6941
            6   C8x C    36.8826  -17.3954
            7   C1b C    34.4278  -14.5901
            8   N1d N    33.2356  -15.2914 #+
            9   C1b C    31.4550  -14.6000
            10  C1b C    30.2685  -15.2914
            11  C1b C    29.0536  -14.5901
            12  C1a C    27.8388  -15.2914
            13  C1a C    33.2471  -16.6600
            14  C1a C    33.2356  -13.8214
            15  X   Cl   40.3980  -16.1042 #-
            16  C1b C    31.4550  -14.6000
            17  C1b C    30.2685  -15.2914
            18  C1b C    31.4550  -14.6000
            19  C1b C    30.2685  -15.2914
            20  C1b C    31.4550  -14.6000
            21  C1b C    30.2685  -15.2914
            22  C1b C    31.4550  -14.6000
            23  C1b C    30.2685  -15.2914
            24  C1b C    31.4550  -14.6000
            25  C1b C    30.2685  -15.2914
            26  C1b C    31.4550  -14.6000
            27  C1b C    30.2685  -15.2914
BOND        26
            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    11  12 1
            10    8  13 1
            11    8  14 1
            12    8   9 1
            13    9  10 1
            14   10  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  11 1


entry: D03449
name: --- - Cetamolol hydrochloride (USAN)
formula: C16H26N2O4. HCl
activity: Anti-adrenergic [beta-receptor]
kcf:
ATOM        23
            1   C8x C    19.6232  -15.2640
            2   C8x C    19.6232  -16.6399
            3   C8x C    20.8147  -17.3279
            4   C8y C    22.0064  -16.6399
            5   C8y C    22.0064  -15.2640
            6   C8x C    20.8147  -14.5760
            7   O2a O    23.1980  -17.6779
            8   C1b C    24.3895  -16.9899
            9   C1b C    24.3895  -14.9140
            10  O2a O    23.1980  -14.2260
            11  C5a C    25.5812  -17.6779
            12  N1b N    26.7728  -16.9899
            13  C1b C    26.7728  -14.9140
            14  C1c C    25.5812  -14.2260
            15  O1a O    25.5812  -12.8504
            16  O5a O    25.5812  -19.0536
            17  C1a C    28.3124  -17.8178
            18  N1b N    27.9684  -14.2237
            19  C1d C    29.1453  -14.9034
            20  C1a C    30.3359  -14.2160
            21  C1a C    29.1453  -16.3098
            22  C1a C    30.3577  -15.6034
            23  X   Cl   31.8909  -17.9495
BOND        22
            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     9  10 1
            10    5  10 1
            11    8  11 1
            12   11  12 1
            13   13  14 1
            14    9  14 1
            15   14  15 1
            16   11  16 2
            17   12  17 1
            18   13  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 1
            22   19  22 1


entry: D03450
name: --- - Cetiedil citrate (USAN) - Celsis (TN)
formula: C20H31NO2S. C6H8O7
activity: Vasodilator [peripheral]
remark: Therapeutic category: 2172
kcf:
ATOM        37
            1   C1d C    36.1952  -16.5538
            2   C1b C    34.9840  -17.2501
            3   C1b C    37.4064  -17.2441
            4   C6a C    36.8856  -15.3367
            5   O1a O    35.4871  -15.3367
            6   C6a C    33.7785  -16.5596
            7   C6a C    37.3947  -18.6428
            8   O6a O    36.1776  -14.1198
            9   O6a O    38.2900  -15.3367
            10  O6a O    32.5675  -17.2618
            11  O6a O    33.8368  -15.1613
            12  O6a O    38.6060  -19.3448
            13  O6a O    36.1776  -19.3389
            14  C1x C    18.2764  -14.8441
            15  C1x C    18.2764  -16.2465
            16  C1x C    19.4938  -16.9477
            17  C1y C    20.7042  -16.2465
            18  C1x C    20.7042  -14.8441
            19  C1x C    19.4938  -14.1429
            20  C1c C    21.9099  -16.9406
            21  C7a C    23.1210  -16.2393
            22  O7a O    24.3322  -16.9334
            23  C1b C    25.5433  -16.2322
            24  C1b C    26.7544  -16.9265
            25  N1y N    27.9656  -16.2252
            26  C8y C    21.9116  -18.3429
            27  C8x C    20.7746  -19.1593
            28  S2x S    21.2097  -20.4941
            29  C8x C    22.6140  -20.4902
            30  C8x C    23.0419  -19.1530
            31  O7a O    23.1179  -14.8370
            32  C1x C    27.9803  -14.8339
            33  C1x C    29.0805  -13.9639
            34  C1x C    29.0618  -17.1072
            35  C1x C    30.4426  -14.2753
            36  C1x C    30.4297  -16.8007
            37  C1x C    31.0394  -15.5390
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   24  25 1
            14   19  14 1
            15   20  26 1
            16   27  28 1
            17   17  20 1
            18   14  15 1
            19   20  21 1
            20   26  27 2
            21   28  29 1
            22   29  30 2
            23   30  26 1
            24   15  16 1
            25   21  31 2
            26   21  22 1
            27   25  32 1
            28   16  17 1
            29   32  33 1
            30   22  23 1
            31   25  34 1
            32   17  18 1
            33   33  35 1
            34   23  24 1
            35   34  36 1
            36   18  19 1
            37   35  37 1
            38   36  37 1


entry: D03451
name: --- - Cetocycline hydrochloride (USAN)
formula: C22H21NO7. HCl
activity: Antibacterial
kcf:
ATOM        31
            1   C8y C    26.3900  -19.3200
            2   C8x C    26.3900  -17.9200
            3   C8x C    27.5800  -17.2200
            4   C8y C    28.8400  -17.9200
            5   C8y C    28.8400  -19.3200
            6   C8y C    27.5800  -20.0200
            7   C8y C    30.0300  -17.2200
            8   C8y C    31.2200  -17.9200
            9   C8y C    31.2200  -19.3200
            10  C8y C    30.0300  -20.0200
            11  C1x C    32.4100  -17.2200
            12  C1y C    33.6700  -17.9200
            13  C1z C    33.6700  -19.3200
            14  C5x C    32.4100  -20.0200
            15  C1y C    34.8600  -17.2200
            16  C2y C    36.0500  -17.9200
            17  C2y C    36.0500  -19.3200
            18  C5x C    34.8600  -20.0200
            19  C1a C    25.2000  -20.0200
            20  O1a O    27.5800  -21.4200
            21  C1a C    30.0300  -15.8200
            22  O1a O    30.0300  -21.4200
            23  O5x O    32.4100  -21.4200
            24  O5x O    34.8600  -21.4200
            25  C5a C    37.3100  -20.0200
            26  C1a C    38.5000  -19.3200
            27  O5a O    37.3100  -21.4200
            28  O1a O    37.3100  -17.2200
            29  N1a N    34.8600  -15.8200
            30  O1a O    33.6700  -20.7200
            31  X   Cl   42.9100  -19.3900
BOND        33
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22    1  19 1
            23    6  20 1
            24    7  21 1
            25   10  22 1
            26   14  23 2
            27   18  24 2
            28   17  25 1
            29   25  26 1
            30   25  27 2
            31   16  28 1
            32   15  29 1 #Up
            33   13  30 1 #Down


entry: D03452
name: --- - Cetophenicol (USAN)
formula: C13H15Cl2NO4
activity: Antibacterial
kcf:
ATOM        20
            1   C8x C    30.4124  -17.9080
            2   C8y C    30.4124  -19.3125
            3   C8x C    31.6285  -20.0147
            4   C8x C    32.8448  -19.3125
            5   C8y C    32.8448  -17.9080
            6   C8x C    31.6285  -17.2059
            7   C5a C    29.1961  -20.0147
            8   C1a C    27.9968  -19.3221
            9   O5a O    29.1960  -21.4188
            10  C1c C    34.0797  -17.1948
            11  C1c C    35.2888  -17.8927
            12  O1a O    34.0794  -15.8016
            13  N1b N    36.4747  -17.2078
            14  C1b C    35.2892  -19.3121
            15  C5a C    37.6725  -17.8992
            16  C1c C    38.8641  -17.2111
            17  O5a O    37.6727  -19.3122
            18  X   Cl   40.0589  -17.9009
            19  O1a O    34.0493  -20.0286
            20  X   Cl   38.8639  -15.8186
BOND        20
            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     2   7 1
            8     7   8 1
            9     7   9 2
            10    5  10 1
            11   10  11 1
            12   10  12 1 #Up
            13   11  13 1
            14   11  14 1 #Down
            15   13  15 1
            16   15  16 1
            17   15  17 2
            18   16  18 1
            19   14  19 1
            20   16  20 1


entry: D03454
name: --- - Cetrimonium bromide (NF)
formula: C19H42N. Br
remark: Same as: C11275
kcf:
ATOM        21
            1   X   Br   25.6469  -14.1241 #-
            2   N1d N    25.1850  -16.7634 #+
            3   C1b C    26.3511  -16.0906
            4   C1b C    27.5172  -16.7634
            5   C1b C    28.6833  -16.0906
            6   C1a C    30.2748  -16.7634
            7   C1a C    24.0188  -17.4362
            8   C1a C    24.4511  -15.6256
            9   C1a C    25.9076  -17.8836
            10  C1b C    27.5172  -16.7634
            11  C1b C    28.6833  -16.0906
            12  C1b C    27.5172  -16.7634
            13  C1b C    28.6833  -16.0906
            14  C1b C    27.5172  -16.7634
            15  C1b C    28.6833  -16.0906
            16  C1b C    27.5172  -16.7634
            17  C1b C    28.6833  -16.0906
            18  C1b C    27.5172  -16.7634
            19  C1b C    28.6833  -16.0906
            20  C1b C    27.5172  -16.7634
            21  C1b C    28.6833  -16.0906
BOND        19
            1     2   7 1
            2     2   3 1
            3     2   8 1
            4     2   9 1
            5     5   6 1
            6     4   5 1
            7     4  11 1
            8    10  11 1
            9    10  13 1
            10   12  13 1
            11   12  15 1
            12   14  15 1
            13   14  17 1
            14   16  17 1
            15   16  19 1
            16   18  19 1
            17   18  21 1
            18   20  21 1
            19   20   3 1


entry: D03459
name: --- - Chloral betaine (USAN)
formula: C5H11NO2. C2H3Cl3O2
activity: Sedative-hypnotic
kcf:
ATOM        15
            1   C1d C    22.3795  -16.4034
            2   C1c C    21.0263  -16.3562
            3   X   Cl   23.7158  -16.4034
            4   X   Cl   23.0334  -15.2208
            5   X   Cl   23.0846  -17.6200
            6   O1a O    20.2646  -15.1167
            7   O1a O    20.3271  -17.4193
            8   N1d N    27.9134  -16.2786 #+
            9   C1b C    29.1208  -16.9809
            10  C1a C    26.7004  -16.9809
            11  C1a C    27.9134  -14.8799
            12  C6a C    30.3338  -16.2786
            13  O6a O    30.3338  -14.8799
            14  O0  O    31.5409  -16.9809 #-
            15  C1a C    26.6953  -15.5762
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   9 1
            8     8  10 1
            9     8  11 1
            10    9  12 1
            11   12  13 2
            12   12  14 1
            13    8  15 1


entry: D03461
name: --- - Chloramphenicol pantothenate complex (USAN) - Pantofenicol (TN)
formula: (C9H16NO5)2. (C11H12Cl2N2O5)4. Ca
activity: Antibacterial; Antirickettsial
kcf:
ATOM        111
            1   C8y C    11.4112  -12.4657
            2   C1c C    11.4112  -13.8650
            3   C8x C    10.2043  -11.7533
            4   C8x C    12.6371  -11.7533
            5   C1c C    12.6180  -14.5647
            6   O1a O    10.1980  -14.5584
            7   C8x C    10.2043  -10.3410
            8   C8x C    12.6371  -10.3410
            9   N1b N    13.8248  -13.8715
            10  C1b C    12.6115  -15.9640
            11  C8y C    11.4112   -9.6477
            12  C5a C    15.0314  -14.5712
            13  O1a O    11.3983  -16.6572
            14  N2b N    11.4112   -8.2484 #+
            15  C1c C    16.2447  -13.8778
            16  O5a O    15.0314  -15.9705
            17  O3a O    10.2043   -7.5487
            18  O0  O    12.6115   -7.5359 #-
            19  X   Cl   17.4514  -14.5776
            20  X   Cl   16.2511  -12.4785
            21  C1c C    24.4573   -9.2553
            22  C1d C    23.2402   -9.9540
            23  C5a C    25.6685   -9.9540
            24  O1a O    24.4573   -7.8577
            25  C1b C    22.0291   -9.2553
            26  C1a C    22.0291  -10.6586
            27  C1a C    24.4573  -10.6586
            28  N1b N    26.8738   -9.2553
            29  O5a O    25.6685  -11.3516
            30  O1a O    20.8120   -9.9540
            31  C1b C    28.0909   -9.9540
            32  C1b C    29.3022   -9.2553
            33  C6a C    30.5133   -9.9540
            34  O0  O    31.7303   -9.2553 #-
            35  O6a O    30.5133  -11.3516
            36  Z   Ca   26.2013  -15.1450 #2+
            37  C8y C    11.4112  -12.4657
            38  C1c C    11.4112  -13.8650
            39  C1c C    12.6180  -14.5647
            40  N1b N    13.8248  -13.8715
            41  C5a C    15.0314  -14.5712
            42  C1c C    16.2447  -13.8778
            43  X   Cl   17.4514  -14.5776
            44  X   Cl   16.2511  -12.4785
            45  O5a O    15.0314  -15.9705
            46  C1b C    12.6115  -15.9640
            47  O1a O    11.3983  -16.6572
            48  O1a O    10.1980  -14.5584
            49  C8x C    10.2043  -11.7533
            50  C8x C    10.2043  -10.3410
            51  C8y C    11.4112   -9.6477
            52  N2b N    11.4112   -8.2484 #+
            53  O3a O    10.2043   -7.5487
            54  O0  O    12.6115   -7.5359 #-
            55  C8x C    12.6371  -10.3410
            56  C8x C    12.6371  -11.7533
            57  C8y C    11.4112  -12.4657
            58  C1c C    11.4112  -13.8650
            59  C1c C    12.6180  -14.5647
            60  N1b N    13.8248  -13.8715
            61  C5a C    15.0314  -14.5712
            62  C1c C    16.2447  -13.8778
            63  X   Cl   17.4514  -14.5776
            64  X   Cl   16.2511  -12.4785
            65  O5a O    15.0314  -15.9705
            66  C1b C    12.6115  -15.9640
            67  O1a O    11.3983  -16.6572
            68  O1a O    10.1980  -14.5584
            69  C8x C    10.2043  -11.7533
            70  C8x C    10.2043  -10.3410
            71  C8y C    11.4112   -9.6477
            72  N2b N    11.4112   -8.2484 #+
            73  O3a O    10.2043   -7.5487
            74  O0  O    12.6115   -7.5359 #-
            75  C8x C    12.6371  -10.3410
            76  C8x C    12.6371  -11.7533
            77  C8y C    11.4112  -12.4657
            78  C1c C    11.4112  -13.8650
            79  C1c C    12.6180  -14.5647
            80  N1b N    13.8248  -13.8715
            81  C5a C    15.0314  -14.5712
            82  C1c C    16.2447  -13.8778
            83  X   Cl   17.4514  -14.5776
            84  X   Cl   16.2511  -12.4785
            85  O5a O    15.0314  -15.9705
            86  C1b C    12.6115  -15.9640
            87  O1a O    11.3983  -16.6572
            88  O1a O    10.1980  -14.5584
            89  C8x C    10.2043  -11.7533
            90  C8x C    10.2043  -10.3410
            91  C8y C    11.4112   -9.6477
            92  N2b N    11.4112   -8.2484 #+
            93  O3a O    10.2043   -7.5487
            94  O0  O    12.6115   -7.5359 #-
            95  C8x C    12.6371  -10.3410
            96  C8x C    12.6371  -11.7533
            97  C1c C    24.4573   -9.2553
            98  C1d C    23.2402   -9.9540
            99  C1b C    22.0291   -9.2553
            100 O1a O    20.8120   -9.9540
            101 C1a C    22.0291  -10.6586
            102 C1a C    24.4573  -10.6586
            103 C5a C    25.6685   -9.9540
            104 N1b N    26.8738   -9.2553
            105 C1b C    28.0909   -9.9540
            106 C1b C    29.3022   -9.2553
            107 C6a C    30.5133   -9.9540
            108 O0  O    31.7303   -9.2553 #-
            109 O6a O    30.5133  -11.3516
            110 O5a O    25.6685  -11.3516
            111 O1a O    24.4573   -7.8577
BOND        108
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    7  11 2
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   12  16 2
            16   14  17 2
            17   14  18 1
            18   15  19 1
            19   15  20 1
            20    8  11 1
            21   37  38 1
            22   37  49 2
            23   37  56 1
            24   38  39 1
            25   38  48 1
            26   49  50 1
            27   56  55 2
            28   39  40 1
            29   39  46 1
            30   50  51 2
            31   40  41 1
            32   46  47 1
            33   51  52 1
            34   41  42 1
            35   41  45 2
            36   52  53 2
            37   52  54 1
            38   42  43 1
            39   42  44 1
            40   55  51 1
            41   57  58 1
            42   57  69 2
            43   57  76 1
            44   58  59 1
            45   58  68 1
            46   69  70 1
            47   76  75 2
            48   59  60 1
            49   59  66 1
            50   70  71 2
            51   60  61 1
            52   66  67 1
            53   71  72 1
            54   61  62 1
            55   61  65 2
            56   72  73 2
            57   72  74 1
            58   62  63 1
            59   62  64 1
            60   75  71 1
            61   77  78 1
            62   77  89 2
            63   77  96 1
            64   78  79 1
            65   78  88 1
            66   89  90 1
            67   96  95 2
            68   79  80 1
            69   79  86 1
            70   90  91 2
            71   80  81 1
            72   86  87 1
            73   91  92 1
            74   81  82 1
            75   81  85 2
            76   92  93 2
            77   92  94 1
            78   82  83 1
            79   82  84 1
            80   95  91 1
            81   33  34 1
            82   33  35 2
            83   21  22 1
            84   21  23 1
            85   21  24 1 #Up
            86   22  25 1
            87   22  26 1
            88   22  27 1
            89   23  28 1
            90   23  29 2
            91   25  30 1
            92   28  31 1
            93   31  32 1
            94   32  33 1
            95  107 108 1
            96  107 109 2
            97   97  98 1
            98   97 103 1
            99   97 111 1 #Up
            100  98  99 1
            101  98 101 1
            102  98 102 1
            103 103 104 1
            104 103 110 2
            105  99 100 1
            106 104 105 1
            107 105 106 1
            108 106 107 1


entry: D03462
name: --- - Chlordantoin (USAN)
formula: C11H17Cl3N2O2S
activity: Antifungal
comment: Component of Sporostacin (TN)
kcf:
ATOM        19
            1   N1y N    24.9155  -16.5873
            2   C5x C    26.3153  -16.5873
            3   C1y C    26.7479  -15.2560
            4   N1x N    25.6154  -14.4332
            5   C5x C    24.4830  -15.2560
            6   O5x O    23.1636  -14.8272
            7   C1b C    29.1728  -15.2560
            8   C1c C    27.9603  -14.5560
            9   O5x O    27.1411  -17.7239
            10  C1b C    27.9602  -13.1603
            11  C1a C    29.1499  -12.4732
            12  C1b C    30.3963  -14.5494
            13  C1b C    31.6010  -15.2450
            14  C1a C    32.7836  -14.5621
            15  S2a S    24.0929  -17.7195
            16  C1d C    22.6929  -17.7195
            17  X   Cl   21.2929  -17.7195
            18  X   Cl   22.6930  -16.3101
            19  X   Cl   22.6928  -19.1099
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     7   8 1
            8     3   8 1
            9     2   9 2
            10    8  10 1
            11   10  11 1
            12    7  12 1
            13   12  13 1
            14   13  14 1
            15    1  15 1
            16   15  16 1
            17   16  17 1
            18   16  18 1
            19   16  19 1


entry: D03463
name: --- - Chlorhexidine phosphanilate (USAN)
formula: C22H30Cl2N10. (C6H8NO3P)2
activity: Antibacterial
kcf:
ATOM        56
            1   P1b P    23.6036  -17.0692
            2   O3b O    23.5964  -15.6689
            3   C8y C    25.0041  -17.0692
            4   O1c O    22.2031  -17.0621
            5   O1c O    23.5964  -18.4697
            6   C8x C    25.7021  -18.2783
            7   C8x C    27.1016  -18.2784
            8   C8y C    27.8014  -17.0663
            9   C8x C    27.1034  -15.8572
            10  C8x C    25.7039  -15.8572
            11  N1a N    29.1843  -17.0664
            12  C8y C    16.8190  -12.6575
            13  N1b N    18.0420  -13.3474
            14  C8x C    15.6117  -13.3474
            15  C8x C    16.8190  -11.2465
            16  C2c C    19.2411  -12.6418
            17  C8x C    14.4047  -12.6575
            18  C8x C    15.6117  -10.5409
            19  N1b N    20.4562  -13.3474
            20  N2a N    19.2411  -11.2465
            21  C8y C    14.4047  -11.2465
            22  C2c C    21.6712  -12.6418
            23  X   Cl   13.1817  -10.5409
            24  N1b N    22.8863  -13.3474
            25  N2a N    21.6712  -11.2465
            26  C1b C    24.1014  -12.6418
            27  C1b C    25.3242  -13.3474
            28  C1b C    26.5312  -12.6418
            29  C1b C    27.7464  -13.3474
            30  C1b C    28.9614  -12.6418
            31  C1b C    30.1684  -13.3395
            32  N1b N    31.3915  -12.6418
            33  C2c C    32.5986  -13.3395
            34  N1b N    33.8214  -12.6418
            35  N2a N    32.5986  -14.7427
            36  C2c C    35.0288  -13.3395
            37  N1b N    36.2516  -12.6418
            38  N2a N    35.0288  -14.7427
            39  C8y C    37.4587  -13.3395
            40  C8x C    37.4509  -14.7347
            41  C8x C    38.6581  -12.6341
            42  C8x C    38.6581  -15.4247
            43  C8x C    39.8731  -13.3238
            44  C8y C    39.8731  -14.7191
            45  X   Cl   41.0882  -15.4247
            46  P1b P    23.6036  -17.0692
            47  O3b O    23.5964  -15.6689
            48  C8y C    25.0041  -17.0692
            49  C8x C    25.7021  -18.2783
            50  C8x C    27.1016  -18.2784
            51  C8y C    27.8014  -17.0663
            52  C8x C    27.1034  -15.8572
            53  C8x C    25.7039  -15.8572
            54  N1a N    29.1843  -17.0664
            55  O1c O    22.2031  -17.0621
            56  O1c O    23.5964  -18.4697
BOND        57
            1    12  13 1
            2    12  14 2
            3    12  15 1
            4    13  16 1
            5    14  17 1
            6    15  18 2
            7    16  19 1
            8    16  20 2
            9    17  21 2
            10   19  22 1
            11   21  23 1
            12   22  24 1
            13   22  25 2
            14   24  26 1
            15   26  27 1
            16   27  28 1
            17   28  29 1
            18   29  30 1
            19   30  31 1
            20   31  32 1
            21   32  33 1
            22   33  34 1
            23   33  35 2
            24   34  36 1
            25   36  37 1
            26   36  38 2
            27   37  39 1
            28   39  40 2
            29   39  41 1
            30   40  42 1
            31   41  43 2
            32   42  44 2
            33   44  45 1
            34   18  21 1
            35   43  44 1
            36    1   2 2
            37    1   3 1
            38    1   4 1
            39    1   5 1
            40    3   6 2
            41    6   7 1
            42    7   8 2
            43    8   9 1
            44    9  10 2
            45    3  10 1
            46    8  11 1
            47   46  47 2
            48   46  48 1
            49   46  55 1
            50   46  56 1
            51   48  49 2
            52   49  50 1
            53   50  51 2
            54   51  52 1
            55   52  53 2
            56   48  53 1
            57   51  54 1


entry: D03464
name: --- - Chlorindanol (USAN)
formula: C9H9ClO
activity: Spermaticide
kcf:
ATOM        11
            1   C8x C    10.9900  -17.4300
            2   C8x C    10.9900  -18.8300
            3   C8y C    12.2024  -19.5300
            4   C8y C    13.4149  -18.8300
            5   C8y C    13.4149  -17.4300
            6   C8y C    12.2024  -16.7300
            7   C1x C    14.7464  -19.2626
            8   C1x C    15.5693  -18.1300
            9   C1x C    14.7464  -16.9974
            10  O1a O    12.2024  -15.3302
            11  X   Cl   12.2024  -20.9298
BOND        12
            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    5   9 1
            11    6  10 1
            12    3  11 1


entry: D03465
name: --- - Chlormerodrin Hg 197 (USAN) - Chlormerodrin Hg 197 (TN)
formula: C5H11ClHgN2O2
activity: Diagnostic aid [renal function determination]; Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        11
            1   N1a N     7.5600  -14.4200
            2   C5a C     8.7724  -15.1200
            3   N1b N     9.9849  -14.4200
            4   C1b C    11.1973  -15.1200
            5   C1c C    12.4097  -14.4200
            6   C1b C    13.6222  -15.1200
            7   Z   Hg   14.9046  -14.3500
            8   O5a O     8.7724  -16.5198
            9   O2a O    12.4097  -13.0201
            10  C1a C    13.6074  -12.3286
            11  X   Cl   16.8911  -15.1223
BOND        10
            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     2   8 2
            8     5   9 1
            9     9  10 1
            10    7  11 1


entry: D03466
name: --- - Chlormerodrin Hg 203 (USAN) - Neohydrin-203 (TN)
formula: C5H11ClHgN2O2
activity: Diagnostic aid [renal function determination]; Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        11
            1   N1a N    16.5966  -15.2415
            2   C5a C    17.7427  -15.9032
            3   N1b N    18.8889  -15.2415
            4   C1b C    20.0350  -15.9032
            5   C1c C    21.1811  -15.2415
            6   C1b C    22.3273  -15.9032
            7   Z   Hg   23.5396  -15.1753
            8   O5a O    17.7427  -17.2264
            9   O2a O    21.1811  -13.9181
            10  C1a C    22.3133  -13.2644
            11  X   Cl   25.4174  -15.9054
BOND        10
            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     2   8 2
            8     5   9 1
            9     9  10 1
            10    7  11 1


entry: D03469
name: --- - Chloroquine hydrochloride (USP) - Aralen hydrochloride (TN)
formula: C18H26ClN3. 2HCl
activity: Anti-amebic; Antimalarial
remark: Therapeutic category: 6419
kcf:
ATOM        24
            1   X   Cl   33.2635  -16.9756
            2   N1b N    26.3943  -14.2238
            3   C1c C    27.6024  -13.5295
            4   C1b C    28.8102  -14.2296
            5   C1a C    27.6082  -12.1290
            6   C1b C    30.0242  -13.5352
            7   C1b C    31.2261  -14.2355
            8   N1c N    32.4400  -13.5470
            9   C1b C    33.6478  -14.2471
            10  C1b C    32.3757  -12.1464
            11  C1a C    34.8559  -13.5527
            12  C1a C    33.5837  -11.4521
            13  C8y C    26.3920  -15.6501
            14  C8y C    25.1585  -16.3600
            15  C8y C    25.1565  -17.7568
            16  N5x N    26.3650  -18.4569
            17  C8x C    27.5987  -17.7471
            18  C8x C    27.6007  -16.3502
            19  C8x C    23.9488  -15.6616
            20  C8x C    22.7392  -16.3600
            21  C8y C    22.7392  -17.7568
            22  C8x C    23.9488  -18.4552
            23  X   Cl   21.5275  -18.4564
            24  X   Cl   33.2635  -16.9756
BOND        23
            1     2   3 1
            2     3   4 1
            3     3   5 1
            4     4   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     8  10 1
            9     9  11 1
            10   10  12 1
            11    2  13 1
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   13  18 2
            18   14  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 2
            22   22  15 1
            23   21  23 1


entry: D03471
name: --- - Chlorothiazide sodium (USP) - Diuril (TN)
formula: C7H5ClN3O4S2. Na
activity: Diuretic; Antihypertensive
remark: Therapeutic category: 2132
kcf:
ATOM        18
            1   C8y C    19.8888  -15.0612
            2   C8y C    19.8945  -16.4185
            3   C8x C    21.0647  -14.3768
            4   S2x S    18.7069  -14.3943
            5   C8x C    21.0704  -17.0913
            6   N5x N    18.7303  -17.1087
            7   C8y C    22.2406  -15.0495
            8   N5x N    17.5370  -15.0846 #-
            9   O3c O    17.3848  -13.5811
            10  O3c O    19.9297  -13.5577
            11  C8y C    22.2464  -16.4068
            12  C8x C    17.5487  -16.4418
            13  S4a S    23.4165  -14.3651
            14  X   Cl   23.4282  -17.0796
            15  N1a N    24.6567  -13.5168
            16  O3c O    24.5456  -15.3714
            17  O3c O    22.3283  -13.3295
            18  Z   Na   14.0700  -15.1900 #+
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     4   9 2
            9     4  10 2
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 2
            16   13  17 2
            17    7  11 1
            18    8  12 1


entry: D03472
name: --- - Chloroxine (USAN) - Capitrol (TN)
formula: C9H5Cl2NO
activity: Antiseborrheic
kcf:
ATOM        13
            1   C8y C     8.6800  -18.1300
            2   C8x C     8.6800  -19.5300
            3   C8y C     9.8924  -20.2300
            4   C8y C    11.1049  -19.5300
            5   C8y C    11.1049  -18.1300
            6   C8y C     9.8924  -17.4300
            7   C8x C    12.3173  -20.2300
            8   C8x C    13.5297  -19.5300
            9   C8x C    13.5297  -18.1300
            10  N5x N    12.3173  -17.4300
            11  O1a O     9.8924  -16.0302
            12  X   Cl    7.4676  -17.4300
            13  X   Cl    9.8924  -21.6298
BOND        14
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    6  11 1
            13    1  12 1
            14    3  13 1


entry: D03473
name: --- - Chloroxylenol (USP)
formula: C8H9ClO
activity: Antibacterial
remark: Same as: C14715
kcf:
ATOM        10
            1   C8x C    15.9600  -17.5000
            2   C8y C    15.9600  -18.9000
            3   C8y C    17.1724  -19.6000
            4   C8y C    18.3849  -18.9000
            5   C8x C    18.3849  -17.5000
            6   C8y C    17.1724  -16.8000
            7   O1a O    17.1724  -15.4002
            8   C1a C    14.7476  -19.6000
            9   C1a C    19.6160  -19.6110
            10  X   Cl   17.1724  -20.9998
BOND        10
            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     6   7 1
            8     2   8 1
            9     4   9 1
            10    3  10 1


entry: D03476
name: --- - Chlorphentermine hydrochloride (USAN) - Pre-sate (TN)
formula: C10H14ClN. HCl
activity: Anorexic
kcf:
ATOM        13
            1   C1d C    23.5076  -14.7352
            2   C1b C    22.2771  -14.0238
            3   C1a C    22.6911  -15.8140
            4   C1a C    24.6213  -15.4524
            5   N1a N    24.2598  -13.5863
            6   C8y C    21.0467  -14.7352
            7   C8x C    21.0467  -16.1522
            8   C8x C    19.8279  -14.0238
            9   C8x C    19.8279  -16.8578
            10  C8x C    18.5974  -14.7352
            11  C8y C    18.5974  -16.1522
            12  X   Cl   17.3729  -16.8578
            13  X   Cl   30.1000  -16.3100
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     6   8 2
            8     7   9 2
            9     8  10 1
            10    9  11 1
            11   11  12 1
            12   10  11 2


entry: D03477
name: --- - Chlortetracycline bisulfate (USP)
formula: C22H23ClN2O8. H2SO4
activity: Antibacterial; Antiprotozoal
remark: Therapeutic category: 6152
kcf:
ATOM        38
            1   C8x C     6.9300  -18.8300
            2   C8x C     6.9300  -20.2300
            3   C8y C     8.1424  -20.9300
            4   C8y C     9.3549  -20.2300
            5   C8y C     9.3549  -18.8300
            6   C8y C     8.1424  -18.1300
            7   C5x C    10.5673  -20.9300
            8   C2y C    11.7797  -20.2300
            9   C1y C    11.7797  -18.8300
            10  C1z C    10.5673  -18.1300
            11  C2y C    12.9922  -20.9300
            12  C1z C    14.2046  -20.2300
            13  C1y C    14.2046  -18.8300
            14  C1x C    12.9922  -18.1300
            15  C5x C    15.4170  -20.9300
            16  C2y C    16.6295  -20.2300
            17  C2y C    16.6295  -18.8300
            18  C1y C    15.4170  -18.1300
            19  X   Cl    8.1424  -16.7302
            20  O1a O     8.1424  -22.3298
            21  O5x O    10.5673  -22.3300
            22  O1a O    12.9922  -22.3297
            23  O5x O    15.4170  -22.3299
            24  C5a C    17.8646  -20.9434
            25  O1a O    17.8646  -18.1166
            26  N1a N    19.0719  -20.2466
            27  O5a O    17.8642  -22.3299
            28  O1a O     9.3549  -17.4300
            29  C1a C    10.5673  -16.2400
            30  N1c N    15.4170  -16.7301
            31  O1a O    14.2046  -21.6300
            32  C1a C    14.1918  -16.0226
            33  C1a C    16.6167  -16.0374
            34  S4a S    23.1420  -19.1500
            35  O3c O    23.1420  -17.7500
            36  O3c O    23.1420  -20.5500
            37  O1d O    21.7419  -19.1500
            38  O1d O    24.5419  -19.1500
BOND        40
            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 1
            15   13  14 1
            16    9  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22    6  19 1
            23    3  20 1
            24    7  21 2
            25   11  22 1
            26   15  23 2
            27   16  24 1
            28   17  25 1
            29   24  26 1
            30   24  27 2
            31   10  28 1 #Up
            32   10  29 1 #Down
            33   18  30 1 #Down
            34   12  31 1 #Down
            35   30  32 1
            36   30  33 1
            37   34  35 2
            38   34  36 2
            39   34  37 1
            40   34  38 1


entry: D03478
name: --- - Choriogonadotropin alfa (USAN) - Ovidrel (TN)
activity:
Treatment of infertility; Cryptorchidism therapy adjuvant [recombinant human chorionic gonadotropin (rhCG)]

comment:
Gonadotropin, chorionic (human alfa-subunit protein moiety reduced), complex with chorionic gonadotropin (human beta-subunit protein moiety reduced) alfa-Subunit [DR:D04429] beta-Subunit (CAS 56832-34-9)


entry: D03479
name: --- - Chromic chloride (USP) - Chromic chloride (TN)
formula: 6H2O. CrCl3
activity: Supplement [trace mineral]
kcf:
ATOM        10
            1   Z   Cr   11.4800  -16.3100
            2   X   Cl   12.8324  -17.2200
            3   X   Cl   10.1276  -17.2200
            4   X   Cl   11.4800  -14.9100
            5   O0  O    17.1500  -16.1000
            6   O0  O    17.1500  -16.1000
            7   O0  O    17.1500  -16.1000
            8   O0  O    17.1500  -16.1000
            9   O0  O    17.1500  -16.1000
            10  O0  O    17.1500  -16.1000
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 1


entry: D03480
name: --- - Chromic chloride Cr 51 (USAN)
formula: CrCl3
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        4
            1   Z   Cr   18.4665  -15.3996
            2   X   Cl   19.6854  -16.2198
            3   X   Cl   17.2477  -16.2198
            4   X   Cl   18.4665  -14.1379
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 1


entry: D03481
name: --- - Chromic phosphate Cr 51 (USAN)
formula: PO4. Cr
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        6
            1   P1b P    32.3776  -18.6524
            2   O3b O    32.4361  -17.2539
            3   O0  O    30.9734  -18.6466 #-
            4   O0  O    33.7762  -18.6524 #-
            5   O0  O    32.4361  -20.0510 #-
            6   Z   Cr   37.1700  -19.0400 #3+
BOND        4
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 1


entry: D03482
name: --- - Chromic phosphate P 32 (USP) - Phosphocol P32 (TN)
formula: PO4. Cr
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        6
            1   P1b P    32.9077  -18.6323
            2   O3b O    32.8976  -17.4029
            3   O0  O    30.9963  -18.6272 #-
            4   O0  O    34.1372  -18.6323 #-
            5   O0  O    32.8976  -19.8619 #-
            6   Z   Cr   37.1208  -18.9731 #3+
BOND        4
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 1


entry: D03485
name: --- - Ciclafrine hydrochloride (USAN)
formula: C15H21NO2. HCl
activity: Antihypotensive
kcf:
ATOM        19
            1   C1y C    25.2835  -15.4903
            2   O2x O    26.4757  -16.2501
            3   C1z C    27.5585  -15.3132
            4   N1x N    26.9912  -14.0548
            5   C1x C    25.5710  -14.0446
            6   C1x C    27.8416  -13.9437
            7   C1x C    29.1212  -13.2800
            8   C1x C    30.3514  -13.8913
            9   C1x C    30.7129  -15.2513
            10  C1x C    29.8419  -16.3565
            11  C1x C    28.4843  -16.3614
            12  C8y C    23.9921  -16.0418
            13  C8x C    22.7797  -15.3418
            14  C8y C    21.5672  -16.0418
            15  C8x C    21.5672  -17.4418
            16  C8x C    22.7797  -18.1418
            17  C8x C    23.9921  -17.4418
            18  O1a O    20.3443  -15.3358
            19  X   Cl   29.4418  -18.1813
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     8   9 1
            7     6   3 1
            8     9  10 1
            9     7   8 1
            10    3  11 1
            11    6   7 1
            12   10  11 1
            13    1  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   14  18 1


entry: D03486
name: --- - Ciclazindol (USAN)
formula: C17H15ClN2O
activity: Antidepressant
kcf:
ATOM        21
            1   C8x C    23.4486  -16.5874
            2   C8x C    23.4486  -17.9872
            3   C8x C    24.6609  -18.6871
            4   C8y C    25.8732  -17.9872
            5   C8y C    25.8732  -16.5874
            6   C8x C    24.6609  -15.8875
            7   N1y N    27.2045  -18.4197
            8   C2y C    28.0273  -17.2873
            9   C1z C    27.2045  -16.1548
            10  C8y C    27.2045  -14.7548
            11  C8x C    28.4292  -14.0475
            12  C8y C    28.4289  -12.6475
            13  C8x C    27.2163  -11.9477
            14  C8x C    25.9917  -12.6551
            15  C8x C    25.9920  -14.0551
            16  O1a O    28.5568  -15.7925
            17  X   Cl   29.6248  -11.9570
            18  N2x N    29.4273  -17.2873
            19  C1x C    30.1214  -18.4898
            20  C1x C    29.4203  -19.7039
            21  C1x C    28.0203  -19.7039
BOND        24
            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    5   9 1
            11    9  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18    9  16 1
            19   12  17 1
            20    8  18 2
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21   7 1


entry: D03487
name: --- - Cicletanine (USAN)
formula: C14H12ClNO2
activity: Antihypertensive
kcf:
ATOM        18
            1   C8y C    24.4915  -15.3406
            2   C8y C    25.6868  -16.0520
            3   C8y C    23.2730  -16.0461
            4   C1x C    24.7890  -13.9762
            5   C1y C    26.7305  -15.1249
            6   C8x C    25.6926  -17.4455
            7   C8y C    23.2730  -17.4455
            8   O1a O    22.0543  -15.3406
            9   O2x O    26.1765  -13.8422
            10  N5x N    24.4915  -18.1452
            11  C1a C    22.0583  -18.1485
            12  C8y C    28.1305  -15.1249
            13  C8x C    28.8308  -16.3377
            14  C8x C    30.2308  -16.3377
            15  C8y C    30.9308  -15.1253
            16  C8x C    30.2305  -13.9125
            17  C8x C    28.8305  -13.9125
            18  X   Cl   32.3400  -15.1253
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     6  10 2
            10    5   9 1
            11    7  10 1
            12    7  11 1
            13    5  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   15  18 1


entry: D03488
name: --- - Ciclopirox (USP) - Penlac (TN)
formula: C12H17NO2
activity: Antifungal
remark: Therapeutic category: 2659
kcf:
ATOM        15
            1   N4y N    18.8702  -16.2279
            2   C8y C    17.6585  -15.5265
            3   C8x C    17.6616  -14.1239
            4   C8y C    18.8728  -13.4290
            5   C8x C    20.0845  -14.1304
            6   C8y C    20.0850  -15.5267
            7   C1y C    16.4448  -16.2245
            8   C1x C    16.4470  -17.6239
            9   C1x C    15.2335  -18.3221
            10  C1x C    14.0221  -17.6200
            11  C1x C    14.0243  -16.2199
            12  C1x C    15.2380  -15.5219
            13  O5x O    21.2975  -16.2266
            14  O1b O    18.8694  -17.6280
            15  C1a C    18.8753  -12.0289
BOND        16
            1     3   4 1
            2     4   5 2
            3     7   8 1
            4     8   9 1
            5     9  10 1
            6    10  11 1
            7    11  12 1
            8    12   7 1
            9     5   6 1
            10    6  13 2
            11    6   1 1
            12    1  14 1
            13    4  15 1
            14    2   7 1
            15    1   2 1
            16    2   3 2


entry: D03489
name: --- - Cicloprofen (USAN)
formula: C16H14O2
activity: Anti-inflammatory
kcf:
ATOM        18
            1   C8y C    16.6600   -9.3100
            2   C8y C    18.0600   -9.3100
            3   C8y C    18.4926   -7.9785
            4   C1x C    17.3600   -7.1556
            5   C8y C    16.2274   -7.9785
            6   C8x C    14.8580   -7.6874
            7   C8x C    13.9212   -8.7278
            8   C8x C    14.3538  -10.0593
            9   C8x C    15.7232  -10.3504
            10  C8x C    18.9968  -10.3504
            11  C8x C    20.3662  -10.0593
            12  C8y C    20.7988   -8.7278
            13  C8x C    19.8620   -7.6874
            14  C1c C    22.1552   -8.7197
            15  C1a C    22.8841   -9.9658
            16  C6a C    22.8435   -7.5119
            17  O6a O    24.2199   -7.5038
            18  O6a O    22.1213   -6.2768
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    1   9 2
            11    2  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    3  13 2
            16   12  14 1
            17   14  15 1
            18   14  16 1
            19   16  17 1
            20   16  18 2


entry: D03490
name: --- - Cicloprolol hydrochloride (USAN)
formula: C18H29NO4. HCl
activity: Anti-adrenergic [beta-receptor]
kcf:
ATOM        24
            1   C8x C    19.7400  -16.8000
            2   C8y C    19.7400  -18.2000
            3   C8x C    20.9300  -18.9000
            4   C8x C    22.1900  -18.2000
            5   C8y C    22.1900  -16.8000
            6   C8x C    20.9300  -16.1000
            7   O2a O    23.3800  -16.1000
            8   C1b C    24.5700  -16.8000
            9   O2a O    18.5500  -18.9000
            10  C1b C    17.3600  -18.2000
            11  C1c C    25.7600  -16.1000
            12  C1b C    26.9500  -16.8000
            13  O1a O    25.7600  -14.7000
            14  N1b N    28.1400  -16.1000
            15  C1c C    29.3300  -16.8000
            16  C1a C    30.5200  -16.1000
            17  C1a C    29.3300  -18.2000
            18  C1b C    16.1700  -18.9000
            19  O2a O    14.9800  -18.2000
            20  C1b C    13.7900  -18.9000
            21  C1y C    12.6000  -18.2000
            22  C1x C    11.2000  -18.2000
            23  C1x C    11.9000  -17.0100
            24  X   Cl   33.8800  -17.0800
BOND        24
            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     5   7 1
            8     7   8 1
            9     2   9 1
            10    9  10 1
            11    8  11 1
            12   11  12 1
            13   11  13 1
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 1
            18   10  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   22  21 1
            23   21  23 1
            24   23  22 1


entry: D03491
name: --- - Cidoxepin hydrochloride (USAN)
formula: C19H21NO. HCl
activity: Antidepressant
remark: Therapeutic category: 1179
kcf:
ATOM        22
            1   C1x C    25.0423  -20.2909
            2   C8y C    24.2012  -19.1826
            3   C8y C    24.5360  -17.8274
            4   C2y C    25.7956  -17.2500
            5   O2x O    26.4465  -20.3161
            6   C8y C    27.0477  -17.8716
            7   C8y C    27.3339  -19.2387
            8   C8x C    23.5301  -16.8602
            9   C8x C    22.1897  -17.2478
            10  C8x C    21.8549  -18.6030
            11  C8x C    22.8608  -19.5700
            12  C8x C    28.6635  -19.6753
            13  C8x C    29.7065  -18.7420
            14  C8x C    29.4204  -17.3749
            15  C8x C    28.0906  -16.9383
            16  C2b C    25.8170  -15.8169
            17  C1b C    27.0465  -15.1313
            18  C1b C    27.0465  -13.7319
            19  N1c N    28.2414  -13.0415
            20  C1a C    29.4683  -13.7500
            21  C1a C    28.2406  -11.6188
            22  X   Cl   32.3341  -17.3563
BOND        23
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    4  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1


entry: D03492
name: --- - Cifenline (USAN)
formula: C18H18N2
activity: Cardiac depressant [anti-arrhythmic]
remark: Therapeutic category: 2129
kcf:
ATOM        20
            1   C8x C    19.5019  -17.1162
            2   C8x C    19.5019  -18.5190
            3   C8x C    20.6944  -19.2204
            4   C8x C    21.9569  -18.5190
            5   C8y C    21.9569  -17.1162
            6   C8x C    20.6944  -16.4147
            7   C1z C    23.1494  -16.4119
            8   C1x C    22.4479  -15.2195
            9   C1y C    23.8508  -15.2195
            10  C2y C    25.0690  -14.5198
            11  N2x N    26.3857  -14.9249
            12  C1x C    27.1780  -13.7977
            13  C1x C    26.3508  -12.6959
            14  N1x N    25.0473  -13.1422
            15  C8x C    24.3418  -18.5190
            16  C8y C    24.3418  -17.1162
            17  C8x C    25.6044  -19.2204
            18  C8x C    26.7968  -18.5190
            19  C8x C    26.7968  -17.1162
            20  C8x C    25.6044  -16.4147
BOND        23
            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     8   9 1
            8     9   7 1
            9     7   8 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   10  14 1
            16    5   7 1
            17   15  16 1
            18   15  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   16  20 2
            23    7  16 1


entry: D03493
name: --- - Ciglitazone (USAN)
formula: C18H23NO3S
activity: Antidiabetic
kcf:
ATOM        23
            1   C1y C    26.4818  -14.7505
            2   C1b C    25.2647  -14.0484
            3   C5x C    26.6338  -16.1430
            4   S2x S    27.7689  -14.1831
            5   C8y C    24.0536  -14.7505
            6   N1x N    28.0029  -16.4355
            7   O5x O    25.5983  -17.0850
            8   C5x C    28.7050  -15.2246
            9   C8x C    22.8427  -14.0484
            10  C8x C    24.0536  -16.1489
            11  O5x O    30.0975  -15.0781
            12  C8x C    21.6315  -14.7505
            13  C8x C    22.8427  -16.8510
            14  C8y C    21.6315  -16.1489
            15  O2a O    20.4204  -16.8510
            16  C1b C    19.2034  -16.1489
            17  C1z C    17.9923  -16.8510
            18  C1x C    16.7851  -16.1571
            19  C1x C    15.5740  -16.8593
            20  C1x C    15.5766  -18.2593
            21  C1x C    16.7837  -18.9533
            22  C1x C    17.9948  -18.2510
            23  C1a C    17.9897  -15.4700
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    8  11 2
            11    9  12 1
            12   10  13 2
            13   12  14 2
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17    6   8 1
            18   13  14 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   17  22 1
            25   17  23 1


entry: D03494
name: --- - Ciladopa hydrochloride (USAN) - Tremerase (TN)
formula: C21H26N2O4. HCl
activity: Antiparkinsonian; Dopaminergic agent
kcf:
ATOM        28
            1   C8y C    29.6511  -17.3818
            2   C8y C    29.6511  -18.7833
            3   C8x C    28.4598  -19.4840
            4   C8x C    27.1984  -18.7833
            5   C8y C    27.1984  -17.3818
            6   C8x C    28.4598  -16.6810
            7   O2a O    30.8423  -19.4840
            8   C1a C    32.0336  -18.7833
            9   C1c C    26.0072  -16.6810
            10  C1b C    24.8159  -17.3818
            11  N1y N    23.6246  -16.6810
            12  O2a O    30.8423  -16.6810
            13  C1a C    32.0336  -17.3818
            14  O1a O    26.0072  -15.2795
            15  C1x C    22.3633  -17.3818
            16  C1x C    21.1019  -16.6810
            17  N1y N    21.1019  -15.2795
            18  C1x C    22.2932  -14.5788
            19  C1x C    23.6246  -15.2795
            20  C2y C    19.9106  -14.5788
            21  C2x C    19.8828  -13.1729
            22  C2x C    18.8220  -12.3837
            23  C2x C    17.3910  -12.6894
            24  C5x C    18.8518  -15.4796
            25  C2x C    16.8642  -13.9824
            26  C2x C    17.4719  -15.1566
            27  O5x O    19.1775  -16.8262
            28  X   Cl   20.4194  -19.4815
BOND        29
            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     2   7 1
            8     7   8 1
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12    1  12 1
            13   12  13 1
            14    9  14 1 #Up
            15   11  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   11  19 1
            21   17  20 1
            22   22  23 2
            23   20  24 1
            24   23  25 1
            25   21  22 1
            26   24  26 1
            27   20  21 2
            28   25  26 2
            29   24  27 2


entry: D03495
name: --- - Cilansetron (USAN)
formula: C20H21N3O
activity: Treatment of irritable bowel syndrome (IBS)
kcf:
ATOM        24
            1   C8y C    19.4600  -15.2600
            2   C8y C    19.4600  -13.8600
            3   C1x C    18.2700  -13.1600
            4   C1x C    17.0800  -13.8600
            5   C1y C    17.0800  -15.2600
            6   C5x C    18.2700  -15.9600
            7   C8y C    20.7900  -15.6800
            8   C8y C    21.6300  -14.5600
            9   N4y N    20.7900  -13.4400
            10  C8y C    23.0300  -14.5600
            11  C8x C    23.7300  -15.7500
            12  C1x C    23.7300  -13.3700
            13  C1x C    23.0300  -12.1800
            14  C1x C    21.6300  -12.1800
            15  C8x C    23.0300  -16.9400
            16  C8x C    21.6300  -16.9400
            17  O5x O    18.2700  -17.3600
            18  C1b C    15.8200  -15.9600
            19  N4y N    14.6300  -15.2600
            20  C8y C    14.6300  -13.8600
            21  N5x N    13.3000  -13.4400
            22  C8x C    12.4600  -14.5600
            23  C8x C    13.3000  -15.6800
            24  C1a C    15.7592  -13.0324
BOND        28
            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 1
            9     8   9 1
            10    2   9 1
            11    8  10 2
            12   10  11 1
            13   10  12 1
            14   12  13 1
            15   13  14 1
            16   11  15 2
            17   15  16 1
            18   16   7 2
            19    9  14 1
            20    6  17 2
            21    5  18 1 #Up
            22   18  19 1
            23   19  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   19  23 1
            28   20  24 1


entry: D03496
name: --- - Cilansetron hydrochloride (USAN)
formula: C20H21N3O. H2O. HCl
activity: Treatment of irritable bowel syndrome (IBS) with diarrhea predominance
kcf:
ATOM        26
            1   X   Cl   24.8009  -15.9479
            2   O0  O    25.2888  -13.7175
            3   C8y C    18.0231  -15.3010
            4   C8y C    18.0231  -13.9037
            5   C1x C    16.8353  -13.2050
            6   C1x C    15.6476  -13.9037
            7   C1y C    15.6476  -15.3010
            8   C5x C    16.8353  -15.9997
            9   C8y C    19.3505  -15.7202
            10  C8y C    20.1889  -14.6024
            11  N4y N    19.3505  -13.4845
            12  C8y C    21.5863  -14.6024
            13  C8x C    22.2850  -15.7901
            14  C1x C    22.2850  -13.4146
            15  C1x C    21.5863  -12.2269
            16  C1x C    20.1889  -12.2269
            17  C8x C    21.5863  -16.9778
            18  C8x C    20.1889  -16.9778
            19  O5x O    16.8353  -17.3970
            20  C1b C    14.3900  -15.9997
            21  N4y N    13.2022  -15.3010
            22  C8y C    13.2022  -13.9037
            23  N5x N    11.8748  -13.4845
            24  C8x C    11.0363  -14.6024
            25  C8x C    11.8748  -15.7202
            26  C1a C    14.3293  -13.0777
BOND        28
            1     3   4 2
            2     4   5 1
            3     5   6 1
            4     6   7 1
            5     7   8 1
            6     3   8 1
            7     3   9 1
            8     9  10 1
            9    10  11 1
            10    4  11 1
            11   10  12 2
            12   12  13 1
            13   12  14 1
            14   14  15 1
            15   15  16 1
            16   13  17 2
            17   17  18 1
            18   18   9 2
            19   11  16 1
            20    8  19 2
            21    7  20 1 #Up
            22   20  21 1
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   21  25 1
            28   22  26 1


entry: D03497
name: --- - Cilengitide (USAN)
formula: C27H40N8O7
activity: Angiogenesis inhibitor
kcf:
ATOM        42
            1   C1x C    17.7800  -12.2500
            2   N1x N    17.7800  -13.6500
            3   N1x N    20.2049  -12.2500
            4   C5x C    18.9924  -11.5500
            5   C5x C    16.5676  -14.3500
            6   C1y C    16.5676  -15.7500
            7   N1x N    17.7800  -16.4500
            8   C5x C    17.7800  -17.8500
            9   C1y C    18.9924  -18.5500
            10  N1y N    20.2049  -17.8500
            11  C5x C    20.2049  -16.4500
            12  C1y C    21.4360  -15.7390
            13  N1x N    21.4357  -14.3501
            14  O5x O    18.9924  -10.1502
            15  O5x O    15.3721  -13.6596
            16  O5x O    16.5676  -18.5500
            17  O5x O    19.0114  -15.7608
            18  C1b C    15.3721  -16.4404
            19  C1b C    14.1847  -15.7549
            20  C1b C    12.9935  -16.4429
            21  N1b N    11.8040  -15.7562
            22  C2c C    10.6139  -16.4435
            23  N1a N     9.4238  -15.7565
            24  N2a N    10.6139  -17.8498
            25  C1c C    18.9924  -19.9498
            26  C1a C    17.7632  -20.6597
            27  C1a C    20.1880  -20.6402
            28  C1a C    21.4360  -18.5610
            29  C1b C    22.9912  -16.7846
            30  C8y C    24.1735  -16.1018
            31  C8x C    25.3675  -16.7912
            32  C8x C    26.5799  -16.0911
            33  C8x C    26.5799  -14.6911
            34  C8x C    25.3859  -14.0018
            35  C8x C    24.1735  -14.7018
            36  C1y C    21.4360  -11.5390
            37  C5x C    22.6362  -13.6566
            38  O5x O    23.9610  -14.0171
            39  C1b C    21.7996  -10.2024
            40  C6a C    23.1213   -9.8539
            41  O6a O    24.1045  -10.8451
            42  O6a O    23.4832   -8.5235
BOND        43
            1     1   2 1
            2     3   4 1
            3     1   4 1
            4     2   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    4  14 2
            14    5  15 2
            15    8  16 2
            16   11  17 2
            17    6  18 1 #Up
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24    9  25 1 #Up
            25   25  26 1
            26   25  27 1
            27   10  28 1
            28   12  29 1 #Down
            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   30  35 1
            36    3  36 1
            37   13  37 1
            38   36  37 1
            39   37  38 2
            40   36  39 1 #Up
            41   39  40 1
            42   40  41 1
            43   40  42 2


entry: D03499
name: --- - Cilobamine mesylate (USAN)
formula: C17H23Cl2NO. CH4SO3
activity: Antidepressant
kcf:
ATOM        26
            1   C1y C    21.3045  -14.8997
            2   C1z C    22.6172  -15.3048
            3   C1x C    20.3126  -15.8502
            4   C1x C    20.5786  -14.8567
            5   C1y C    22.2280  -16.6853
            6   C1x C    19.9234  -17.2306
            7   C1y C    20.9154  -16.2801
            8   C1x C    21.3029  -13.6833
            9   N1b N    23.1028  -18.1178
            10  C1c C    24.4727  -18.1522
            11  C1a C    25.1997  -16.9629
            12  C1a C    25.1262  -19.3531
            13  C8y C    23.8407  -14.6390
            14  C8x C    25.0272  -15.3647
            15  C8y C    26.3208  -14.6989
            16  C8y C    26.2860  -13.3062
            17  C8x C    25.0996  -12.5807
            18  C8x C    23.8759  -13.2464
            19  X   Cl   27.5208  -12.6346
            20  X   Cl   27.4680  -15.4430
            21  O1a O    23.7110  -16.1778
            22  O3c O    32.9069  -15.2950
            23  S4a S    32.9069  -16.6919
            24  C1a C    31.5101  -16.6919
            25  O1d O    34.3038  -16.6919
            26  O3c O    32.9069  -18.0887
BOND        27
            1     1   2 1
            2     1   3 1
            3     2   5 1
            4     3   6 1
            5     4   7 1
            6     4   8 1
            7     5   7 1
            8     6   7 1
            9     1   8 1
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   10  12 1
            14    2  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22   15  20 1
            23    2  21 1
            24   22  23 2
            25   23  24 1
            26   23  25 1
            27   23  26 2


entry: D03502
name: --- - Cimaterol (USAN)
formula: C12H17N3O
activity: Repartitioning agent
kcf:
ATOM        16
            1   C8y C    13.5100  -14.4900
            2   C8y C    13.5100  -13.0900
            3   C8x C    14.7000  -12.3900
            4   C8x C    15.9600  -13.0900
            5   C8y C    15.9600  -14.4900
            6   C8x C    14.7000  -15.1900
            7   C1c C    17.1500  -15.1900
            8   N1a N    12.3200  -12.3900
            9   C1b C    18.3400  -14.4900
            10  O1a O    17.1500  -16.5900
            11  C3b C    12.2947  -15.1851
            12  N3a N    11.0823  -15.8851
            13  N1b N    19.5581  -15.1801
            14  C1c C    20.7395  -14.4850
            15  C1a C    21.9449  -15.1680
            16  C1a C    20.7281  -13.0900
BOND        16
            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     5   7 1
            8     2   8 1
            9     7   9 1
            10    7  10 1
            11    1  11 1
            12   11  12 3
            13    9  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 1


entry: D03503
name: --- - Cimetidine hydrochloride (USP) - Cimetidine hydrochloride (TN)
formula: C10H16N6S. HCl
activity: Antagonist [to histamine H2 receptors]
kcf:
ATOM        18
            1   X   Cl   35.4200  -16.7300
            2   C1b C    27.3161  -14.5481
            3   S2a S    28.5286  -13.8510
            4   C1b C    29.7410  -14.5481
            5   C1b C    30.9533  -13.8510
            6   N1b N    32.1656  -14.5481
            7   C2c C    33.3840  -13.8510
            8   N2b N    33.3840  -12.4455
            9   N1b N    34.5963  -14.5481
            10  C3b C    34.5963  -11.7484
            11  C1a C    35.8088  -13.8510
            12  N3a N    35.8237  -11.0526
            13  C8y C    26.1233  -13.8569
            14  N5x N    26.1233  -12.4555
            15  C8x C    24.7904  -12.0225
            16  N4x N    23.9666  -13.1562
            17  C8y C    24.7904  -14.2900
            18  C1a C    24.3563  -15.6258
BOND        17
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 2
            7     7   9 1
            8     8  10 1
            9     9  11 1
            10   10  12 3
            11    2  13 1
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   16  17 1
            16   13  17 2
            17   17  18 1


entry: D03504
name: --- - Cinacalcet (USAN)
formula: C22H22F3N
activity:
Treatment of hyperparathyroidism and related disorders, such as hypercalcemia [reduction of PTH secretion through modulation of calcium ion receptors on parathyroid cells]

kcf:
ATOM        26
            1   C8x C    17.3516  -12.3789
            2   C8y C    17.3516  -13.7778
            3   C8y C    18.5630  -14.4772
            4   C8y C    19.7745  -13.7778
            5   C8x C    19.7745  -12.3789
            6   C8x C    18.5630  -11.6795
            7   C8x C    16.1402  -14.4772
            8   C8x C    16.1402  -15.8761
            9   C8x C    17.3516  -16.5755
            10  C8x C    18.5630  -15.8761
            11  C1c C    21.0110  -14.4772
            12  N1b N    22.2225  -13.7778
            13  C1b C    23.4339  -14.4772
            14  C1b C    24.6453  -13.7778
            15  C1b C    25.8569  -14.4772
            16  C1a C    21.0173  -15.8899
            17  C8y C    27.0436  -13.7920
            18  C8x C    28.2374  -14.4813
            19  C8y C    29.4499  -13.7814
            20  C8x C    29.4500  -12.3814
            21  C8x C    28.2561  -11.6920
            22  C8x C    27.0436  -12.3920
            23  C1d C    30.6811  -14.4923
            24  X   F    31.8766  -15.1827
            25  X   F    31.3768  -13.2874
            26  X   F    29.9769  -15.7120
BOND        28
            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     2   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    3  10 1
            12    4  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   11  16 1 #Down
            18   15  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   19  23 1
            26   23  24 1
            27   23  25 1
            28   23  26 1


entry: D03505
name: --- - Cinacalcet hydrochloride (JAN/USAN) - Sensipar (TN)
formula: C22H22F3N. HCl
activity:
Treatment of hyperparathyroidism and related disorders, such as hypercalcemia [reduction of PTH secretion through modulation of calcium ion receptors on parathyroid cells]

kcf:
ATOM        27
            1   C8x C    14.3657  -13.4461
            2   C8y C    14.3657  -14.8469
            3   C8y C    15.5788  -15.5473
            4   C8y C    16.7920  -14.8469
            5   C8x C    16.7920  -13.4461
            6   C8x C    15.5788  -12.7457
            7   C8x C    13.1526  -15.5473
            8   C8x C    13.1526  -16.9481
            9   C8x C    14.3657  -17.6485
            10  C8x C    15.5788  -16.9481
            11  C1c C    18.0302  -15.5473
            12  N1b N    19.2433  -14.8469
            13  C1b C    20.4564  -15.5473
            14  C1b C    21.6695  -14.8469
            15  C1b C    22.8828  -15.5473
            16  C1a C    18.0365  -16.9620
            17  C8y C    24.0711  -14.8611
            18  C8x C    25.2666  -15.5514
            19  C8y C    26.4808  -14.8505
            20  C8x C    26.4809  -13.4486
            21  C8x C    25.2853  -12.7582
            22  C8x C    24.0711  -13.4592
            23  C1d C    27.7137  -15.5624
            24  X   F    28.9108  -16.2538
            25  X   F    28.4104  -14.3558
            26  X   F    27.0085  -16.7838
            27  X   Cl   32.4800  -15.4700
BOND        28
            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     2   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    3  10 1
            12    4  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   11  16 1 #Down
            18   15  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   19  23 1
            26   23  24 1
            27   23  25 1
            28   23  26 1


entry: D03506
name: --- - Cinanserin hydrochloride (USAN)
formula: C20H24N2OS. HCl
activity: Serotonin inhibitor
kcf:
ATOM        25
            1   X   Cl   42.0383  -19.4400
            2   C8x C    25.9670  -20.3524
            3   C8x C    25.9670  -18.9487
            4   C8x C    27.1601  -18.2469
            5   C8y C    28.4233  -18.9487
            6   C8y C    28.4233  -20.3524
            7   C8x C    27.1601  -21.0542
            8   N1b N    29.6164  -21.0542
            9   S2a S    29.6164  -18.2469
            10  C5a C    30.8094  -20.3524
            11  C2b C    32.0025  -21.0542
            12  O5a O    30.8094  -18.9487
            13  C1b C    29.6164  -16.8433
            14  C1b C    30.8094  -16.1415
            15  C1b C    30.8094  -14.7379
            16  C2b C    33.1956  -20.3524
            17  C8y C    34.3887  -21.0542
            18  C8x C    35.5817  -20.3524
            19  C8x C    36.8450  -21.0542
            20  C8x C    36.8450  -22.4578
            21  C8x C    35.6519  -23.1596
            22  C8x C    34.3887  -22.4578
            23  N1c N    32.0009  -14.0505
            24  C1a C    32.0009  -12.6505
            25  C1a C    33.2134  -14.7507
BOND        25
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     6   8 1
            8     5   9 1
            9     8  10 1
            10   10  11 1
            11   10  12 2
            12    9  13 1
            13   13  14 1
            14   14  15 1
            15   11  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   17  22 1
            23   15  23 1
            24   23  24 1
            25   23  25 1


entry: D03507
name: --- - Cinepazet maleate (USAN)
formula: C20H28N2O6. C4H4O4
activity: Anti-anginal
kcf:
ATOM        36
            1   C8y C    16.0847  -20.0000
            2   C2b C    17.2997  -20.6945
            3   C8x C    14.8631  -20.7136
            4   C8x C    16.0847  -18.5856
            5   C2b C    18.5021  -19.9936
            6   C8y C    13.6482  -20.0000
            7   C8y C    14.8631  -17.8850
            8   C8y C    13.6482  -18.5856
            9   O2a O    12.4331  -20.6945
            10  O2a O    14.8569  -16.4898
            11  O2a O    12.4394  -17.9553
            12  C1a C    11.2309  -19.9870
            13  C1a C    16.0654  -15.7826
            14  C1a C    12.4394  -16.4898
            15  C5a C    19.7115  -20.6889
            16  N1y N    20.9614  -19.9645
            17  O5a O    19.7145  -22.0639
            18  C1x C    22.1548  -20.6512
            19  C1x C    23.3718  -19.9461
            20  N1y N    23.3697  -18.5396
            21  C1x C    22.1763  -17.8530
            22  C1x C    20.9593  -18.5580
            23  C1b C    24.6014  -17.8258
            24  C7a C    25.8201  -18.5266
            25  O7a O    27.0020  -17.8417
            26  O7a O    25.8230  -19.9539
            27  C1b C    28.2066  -18.5348
            28  C1a C    29.3954  -17.8459
            29  C2b C    28.7224  -21.3433
            30  C2b C    27.0417  -21.3433
            31  C6a C    29.3526  -22.5337
            32  C6a C    26.4115  -22.5337
            33  O6a O    28.7224  -23.6540
            34  O6a O    30.7529  -22.5337
            35  O6a O    25.0112  -22.5337
            36  O6a O    27.0417  -23.6540
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     3   6 2
            6     4   7 1
            7     6   8 1
            8     6   9 1
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14    7   8 2
            15    5  15 1
            16   15  16 1
            17   15  17 2
            18   16  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   16  22 1
            24   20  23 1
            25   23  24 1
            26   24  25 1
            27   24  26 2
            28   25  27 1
            29   27  28 1
            30   29  30 2
            31   29  31 1
            32   30  32 1
            33   31  33 1
            34   31  34 2
            35   32  35 1
            36   32  36 2


entry: D03508
name: --- - Cinflumide (USAN)
formula: C12H12FNO
activity: Relaxant [muscle]
kcf:
ATOM        15
            1   C8y C    11.9700  -18.3400
            2   C8x C    11.9700  -19.7400
            3   C8x C    13.1600  -20.4400
            4   C8x C    14.4200  -19.7400
            5   C8y C    14.4200  -18.3400
            6   C8x C    13.1600  -17.6400
            7   X   F    10.7800  -17.6400
            8   C2b C    15.6100  -17.6400
            9   C2b C    16.8000  -18.3400
            10  C5a C    17.9900  -17.6400
            11  N1b N    19.1800  -18.3400
            12  O5a O    17.9900  -16.2400
            13  C1y C    20.3000  -17.6400
            14  C1x C    21.7000  -17.6400
            15  C1x C    21.0000  -16.4500
BOND        16
            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     1   7 1
            8     5   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12   10  12 2
            13   11  13 1
            14   13  14 1
            15   14  15 1
            16   15  13 1


entry: D03509
name: --- - Cingestol (USAN)
formula: C20H28O
activity: Progestin
kcf:
ATOM        21
            1   C1x C    29.1679  -19.6903
            2   C1x C    29.1679  -21.0522
            3   C1x C    30.3473  -21.7331
            4   C2y C    31.5266  -21.0522
            5   C1y C    31.5266  -19.6903
            6   C1x C    30.3473  -19.0094
            7   C2x C    32.7060  -21.7331
            8   C1x C    33.8853  -21.0522
            9   C1y C    33.8853  -19.6903
            10  C1y C    32.7060  -19.0094
            11  C1y C    35.0648  -19.0094
            12  C1z C    35.0648  -17.6475
            13  C1x C    33.8853  -16.9667
            14  C1x C    32.7060  -17.6475
            15  C1x C    37.4234  -19.0094
            16  C1x C    37.4234  -17.6475
            17  C1z C    36.2441  -16.9667
            18  C1a C    35.0919  -16.2858
            19  O1a O    36.2493  -15.6049
            20  C3b C    37.5511  -16.6072
            21  C3a C    38.9026  -16.2450
BOND        24
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23   17  20 1 #Down
            24   20  21 3


entry: D03510
name: --- - Cinnamedrine (USAN)
formula: C19H23NO
activity: Relaxant [smooth muscle]
kcf:
ATOM        21
            1   C8x C    14.3413  -15.5665
            2   C8x C    14.3413  -16.9742
            3   C8x C    15.5603  -17.6780
            4   C8x C    16.7795  -16.9742
            5   C8y C    16.7795  -15.5665
            6   C8x C    15.5603  -14.8627
            7   C1c C    18.0173  -14.8516
            8   C1c C    19.2291  -15.5511
            9   O1a O    18.0170  -13.4551
            10  N1c N    20.4179  -14.8646
            11  C1a C    19.2296  -16.9738
            12  C1b C    21.6184  -15.5577
            13  C1a C    20.4179  -13.4552
            14  C2b C    22.8128  -14.8679
            15  C2b C    24.0104  -15.5594
            16  C8y C    25.2063  -14.8687
            17  C8x C    26.4032  -15.5598
            18  C8x C    27.6223  -14.8560
            19  C8x C    27.6223  -13.4483
            20  C8x C    26.4255  -12.7573
            21  C8x C    25.2063  -13.4611
BOND        22
            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     5   7 1
            8     7   8 1
            9     7   9 1
            10    8  10 1
            11    8  11 1
            12   10  12 1
            13   10  13 1
            14   12  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1


entry: D03512
name: --- - Cinoxate (USAN)
formula: C14H18O4
activity: Ultraviolet screen
kcf:
ATOM        18
            1   C8x C    10.7100  -17.1500
            2   C8y C    10.7100  -18.5500
            3   C8x C    11.9224  -19.2500
            4   C8x C    13.1349  -18.5500
            5   C8y C    13.1349  -17.1500
            6   C8x C    11.9224  -16.4500
            7   O2a O     9.4976  -19.2500
            8   C1a C     8.3021  -18.5596
            9   C2b C    14.3660  -16.4390
            10  C2b C    15.5712  -17.1347
            11  C7a C    16.7535  -16.4519
            12  O7a O    17.9475  -17.1412
            13  O7a O    16.7535  -15.0502
            14  C1b C    19.1354  -16.4552
            15  C1b C    20.3265  -17.1429
            16  O2a O    21.5159  -16.4561
            17  C1b C    22.7062  -17.1434
            18  C1a C    23.8961  -16.4563
BOND        18
            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     2   7 1
            8     7   8 1
            9     5   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1


entry: D03513
name: --- - Cinromide (USAN)
formula: C11H12BrNO
activity: Anticonvulsant
kcf:
ATOM        14
            1   C8y C    14.2100  -19.6700
            2   C8x C    14.2100  -21.0700
            3   C8x C    15.4224  -21.7700
            4   C8x C    16.6349  -21.0700
            5   C8y C    16.6349  -19.6700
            6   C8x C    15.4224  -18.9700
            7   X   Br   12.9976  -18.9700
            8   C2b C    17.8660  -18.9590
            9   C2b C    19.0712  -19.6547
            10  C5a C    20.2535  -18.9719
            11  N1b N    21.4475  -19.6612
            12  C1b C    22.6354  -18.9752
            13  C1a C    23.8265  -19.6629
            14  O5a O    20.2535  -17.5702
BOND        14
            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     1   7 1
            8     5   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   10  14 2


entry: D03514
name: --- - Cintazone (USAN)
formula: C22H22N2O2
activity: Anti-inflammatory
kcf:
ATOM        26
            1   C8x C    19.8429  -18.9324
            2   C8x C    19.8429  -17.5350
            3   C8x C    21.0307  -16.8363
            4   C8y C    22.2883  -17.5350
            5   C8y C    22.2883  -18.9324
            6   C8x C    21.0307  -19.6311
            7   N4y N    23.4761  -16.8363
            8   N4y N    24.6639  -17.5350
            9   C8x C    24.6639  -18.9324
            10  C8y C    23.4761  -19.6311
            11  C8y C    23.4761  -21.0285
            12  C8x C    24.6639  -21.7272
            13  C8x C    24.6639  -23.1245
            14  C8x C    23.4761  -23.8232
            15  C8x C    22.2883  -23.1245
            16  C8x C    22.2883  -21.7272
            17  C5x C    23.7556  -15.2991
            18  C1y C    25.1530  -15.2992
            19  C5x C    25.7119  -16.6267
            20  O5x O    22.7774  -14.3210
            21  O5x O    26.9220  -17.3254
            22  C1b C    25.8966  -14.1161
            23  C1b C    27.3177  -14.1698
            24  C1b C    28.0358  -15.3810
            25  C1b C    29.4150  -15.4349
            26  C1a C    30.1296  -16.6401
BOND        29
            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 2
            11    5  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    7  17 1
            20   17  18 1
            21   18  19 1
            22    8  19 1
            23   17  20 2
            24   19  21 2
            25   18  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1


entry: D03515
name: --- - Cioteronel (USAN)
formula: C16H28O2
activity: Anti-androgen
kcf:
ATOM        18
            1   C5x C    19.4274  -19.4359
            2   C1x C    20.7569  -19.8743
            3   C1y C    21.5848  -18.7454
            4   C1y C    20.7670  -17.6092
            5   C1x C    19.4337  -18.0359
            6   C1y C    22.9159  -18.3160
            7   C1x C    22.9242  -16.9187
            8   C1x C    21.5947  -16.4802
            9   O5x O    18.2913  -20.2537
            10  C1b C    24.0943  -19.0169
            11  C1b C    25.3273  -18.3262
            12  C1b C    26.5351  -19.0447
            13  C1b C    27.7510  -18.3635
            14  C1c C    28.9673  -19.0867
            15  C1b C    30.1787  -18.4079
            16  O2a O    28.9493  -20.4926
            17  C1a C    30.1438  -21.2032
            18  C1a C    31.3976  -19.1323
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 1
            7     6   7 1
            8     7   8 1
            9     4   8 1
            10    1   9 2
            11    6  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   16  17 1
            19   15  18 1


entry: D03516
name: --- - Cipamfylline (USAN)
formula: C13H17N5O2
activity: Antiviral
kcf:
ATOM        20
            1   N4y N    35.1400  -17.0100
            2   C8y C    35.1400  -18.4100
            3   N4y N    33.9500  -19.1100
            4   C8y C    32.6200  -18.4100
            5   C8y C    32.6200  -17.0100
            6   C8y C    33.9500  -16.3100
            7   N5x N    31.2900  -18.8300
            8   C8y C    30.5200  -17.7100
            9   N4x N    31.2900  -16.5900
            10  N1a N    29.1200  -17.7100
            11  O5x O    33.9500  -14.8400
            12  C1b C    33.9500  -20.5100
            13  O5x O    36.3300  -19.1100
            14  C1b C    36.3300  -16.3100
            15  C1y C    37.5200  -17.0100
            16  C1y C    32.6900  -21.2100
            17  C1x C    38.9200  -17.0100
            18  C1x C    38.2200  -18.2000
            19  C1x C    31.2900  -21.2100
            20  C1x C    31.9900  -22.4000
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12    6  11 2
            13    3  12 1
            14    2  13 2
            15    1  14 1
            16   14  15 1
            17   12  16 1
            18   15  17 1
            19   17  18 1
            20   18  15 1
            21   16  19 1
            22   19  20 1
            23   20  16 1


entry: D03517
name: --- - Cipemastat (USAN) - Trocade (TN)
formula: C22H36N4O5
activity: Cartilage protective agent in rheumatoid arthritis [matrix metalloproteinase inhibitor]
kcf:
ATOM        31
            1   C1x C    36.8208  -15.9074
            2   N1y N    36.8208  -17.2390
            3   C1x C    37.9739  -17.9048
            4   C1x C    39.1272  -17.2390
            5   C1x C    39.1272  -15.9074
            6   C1x C    37.9739  -15.2416
            7   C5a C    35.6676  -17.9048
            8   C1c C    34.5304  -17.2481
            9   O5a O    35.6675  -19.2362
            10  C1c C    33.4011  -17.9001
            11  C1b C    34.5303  -15.1753
            12  C5a C    32.2680  -17.2458
            13  N1b N    31.1367  -17.8989
            14  O5a O    32.2680  -15.9077
            15  O1b O    30.0047  -17.2452
            16  C1y C    35.7212  -14.4878
            17  C1x C    36.9832  -15.0499
            18  C1x C    37.9077  -14.0233
            19  C1x C    37.2172  -12.8268
            20  C1x C    35.8658  -13.1138
            21  C1b C    33.4011  -19.3200
            22  N1y N    32.1804  -20.0249
            23  C5x C    30.7804  -20.0249
            24  C1z C    30.3478  -21.3564
            25  N1y N    31.4804  -22.1793
            26  C5x C    32.6130  -21.3564
            27  O5x O    29.9621  -18.8984
            28  O5x O    33.9489  -21.7905
            29  C1a C    31.4803  -23.5899
            30  C1a C    29.1353  -20.6564
            31  C1a C    29.6478  -22.5688
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     2   7 1
            8     7   8 1
            9     7   9 2
            10    8  10 1
            11    8  11 1 #Up
            12   10  12 1
            13   12  13 1
            14   12  14 2
            15   13  15 1
            16   11  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   16  20 1
            22   10  21 1 #Down
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   22  26 1
            29   23  27 2
            30   26  28 2
            31   25  29 1
            32   24  30 1
            33   24  31 1


entry: D03518
name: --- - Cipralisant maleate (USAN) - Perceptin (TN)
formula: C14H20N2. C4H4O4
activity:
Treatment of attention deficit hyperactive disorders (ADHD), age related memory dysfunction, and other cognitive disorders [histatmine H3 antagonist]

kcf:
ATOM        24
            1   C1y C    17.6272  -17.8873
            2   C1y C    19.0302  -17.8873
            3   C1x C    18.3287  -16.6948
            4   C3b C    20.2227  -18.5888
            5   C8y C    16.3646  -18.5888
            6   C8x C    16.3612  -20.0005
            7   N4x N    15.0628  -20.4120
            8   C8x C    14.2464  -19.2950
            9   N5x N    15.0494  -18.1574
            10  C3b C    21.4153  -19.2903
            11  C1b C    22.6302  -19.9918
            12  C1b C    23.8283  -19.2999
            13  C1d C    25.0182  -19.9869
            14  C1a C    26.2332  -20.6883
            15  C1a C    25.7197  -18.7718
            16  C1a C    24.3167  -21.2018
            17  C2b C    32.0077  -18.0276
            18  C2b C    33.6211  -18.0276
            19  C6a C    31.3062  -19.2201
            20  C6a C    34.3226  -19.2201
            21  O6a O    35.7256  -19.2201
            22  O6a O    29.9033  -19.2201
            23  O6a O    32.0077  -20.4127
            24  O6a O    33.6913  -20.4127
BOND        24
            1     1   2 1
            2     2   3 1
            3     1   3 1
            4     2   4 1 #Up
            5     1   5 1 #Down
            6     5   6 2
            7     6   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    4  10 3
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   13  15 1
            17   13  16 1
            18   17  18 2
            19   17  19 1
            20   18  20 1
            21   20  21 2
            22   19  22 1
            23   19  23 2
            24   20  24 1


entry: D03519
name: --- - Ciprefadol succinate (USAN)
formula: C19H27NO. C4H6O4
activity: Analgesic
kcf:
ATOM        29
            1   C1x C    12.5718  -13.0972
            2   C1x C    12.5718  -14.5035
            3   C1x C    13.7671  -15.2065
            4   C1z C    15.0326  -14.5035
            5   C1y C    15.0326  -13.0972
            6   C1x C    13.7671  -12.3942
            7   C1x C    16.2279  -15.2065
            8   C1x C    17.4232  -14.5035
            9   N1y N    17.4232  -13.0972
            10  C1x C    16.2279  -12.3942
            11  C8y C    15.0326  -15.9097
            12  C1b C    18.6185  -12.3942
            13  C1y C    19.8137  -13.0972
            14  C8x C    13.8374  -16.6127
            15  C8x C    13.8374  -18.0190
            16  C8x C    15.0326  -18.7221
            17  C8y C    16.2279  -18.0190
            18  C8x C    16.2279  -16.6127
            19  C1x C    21.2199  -13.0972
            20  C1x C    20.5168  -14.2925
            21  O1a O    17.4409  -18.7127
            22  C6a C    28.2458  -15.5522
            23  C1b C    27.0266  -16.2613
            24  O6a O    29.4709  -16.2613
            25  O6a O    28.2458  -14.1512
            26  C1b C    25.8133  -15.5580
            27  C6a C    24.5999  -16.2671
            28  O6a O    23.3806  -15.5640
            29  O6a O    24.5999  -17.6681
BOND        31
            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    4  11 1 #Up
            13    9  12 1
            14   12  13 1
            15   11  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   11  18 1
            21   13  19 1
            22   19  20 1
            23   20  13 1
            24   17  21 1
            25   22  23 1
            26   22  24 1
            27   22  25 2
            28   23  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2


entry: D03520
name: --- - Ciprocinonide (USAN)
formula: C28H34F2O7
activity: Adrenocortical steroid
kcf:
ATOM        37
            1   C1y C    22.7500  -15.7500
            2   C1x C    21.3500  -15.7500
            3   C1x C    22.0500  -16.9400
            4   C2x C    19.9500  -20.5800
            5   C5x C    19.9500  -21.9100
            6   C2x C    21.1400  -22.6100
            7   C2y C    22.3300  -21.9100
            8   C1z C    22.3300  -20.5800
            9   C2x C    21.1400  -19.8800
            10  C1y C    23.5200  -22.6100
            11  C1x C    24.7100  -21.9100
            12  C1y C    24.7100  -20.5800
            13  C1z C    23.5200  -19.8800
            14  C1y C    25.9000  -19.8800
            15  C1z C    25.9000  -18.4800
            16  C1x C    24.7100  -17.8500
            17  C1y C    23.5200  -18.4800
            18  C1a C    25.9000  -17.1500
            19  O1a O    22.3300  -17.8500
            20  C1a C    22.3300  -19.1800
            21  X   F    23.5200  -21.2800
            22  X   F    23.5200  -24.0100
            23  O5x O    18.7600  -22.6100
            24  C1x C    27.2315  -20.3126
            25  C1y C    28.0544  -19.1800
            26  C1z C    27.2315  -18.0474
            27  O2x O    29.3859  -18.7474
            28  C1z C    29.3859  -17.3474
            29  O2x O    28.0544  -16.9147
            30  C5a C    27.2315  -15.9474
            31  O5a O    28.4373  -15.2512
            32  C1b C    26.0234  -15.2499
            33  O7a O    24.8192  -15.9453
            34  C7a C    23.6362  -15.2624
            35  O7a O    23.6360  -13.8602
            36  C1a C    30.3758  -16.3574
            37  C1a C    30.5983  -18.0474
BOND        42
            1     1   2 1
            2     1   3 1
            3     3   2 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 1
            9     4   9 2
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   13  17 1
            20   15  18 1 #Up
            21   17  19 1 #Up
            22    8  20 1 #Up
            23   13  21 1 #Down
            24   10  22 1 #Down
            25    5  23 2
            26   14  24 1
            27   24  25 1
            28   25  26 1
            29   15  26 1
            30   25  27 1 #Down
            31   27  28 1
            32   28  29 1
            33   26  29 1 #Down
            34   26  30 1 #Up
            35   30  31 2
            36   30  32 1
            37   32  33 1
            38   33  34 1
            39   34  35 2
            40    1  34 1
            41   28  36 1
            42   28  37 1


entry: D03521
name: --- - Ciprofibrate (USAN)
formula: C13H14Cl2O3
activity: Antihyperlipoproteinemic
kcf:
ATOM        18
            1   C8x C    13.1600  -16.7300
            2   C8y C    13.1600  -18.1300
            3   C8x C    14.3500  -18.8300
            4   C8x C    15.6100  -18.1300
            5   C8y C    15.6100  -16.7300
            6   C8x C    14.3500  -16.0300
            7   O2a O    16.8000  -16.0300
            8   C1d C    17.9900  -16.7300
            9   C1y C    11.9700  -18.8300
            10  C6a C    19.1800  -16.0300
            11  O6a O    20.3700  -16.7300
            12  O6a O    19.1800  -14.6300
            13  C1a C    16.8000  -17.4300
            14  C1a C    19.2500  -17.4300
            15  C1z C    10.5700  -18.8300
            16  C1x C    11.2700  -20.0200
            17  X   Cl    9.3547  -18.1349
            18  X   Cl    9.5861  -19.8260
BOND        19
            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     5   7 1
            8     7   8 1
            9     2   9 1
            10    8  10 1
            11   10  11 1
            12   10  12 2
            13    8  13 1
            14    8  14 1
            15   15   9 1
            16    9  16 1
            17   16  15 1
            18   15  17 1
            19   15  18 1


entry: D03523
name: --- - Ciramadol (USAN)
formula: C15H23NO2
activity: Analgesic
kcf:
ATOM        18
            1   C8y C    20.3000  -23.8000
            2   C8x C    20.3000  -25.2000
            3   C8x C    21.5124  -25.9000
            4   C8x C    22.7249  -25.2000
            5   C8y C    22.7249  -23.8000
            6   C8x C    21.5124  -23.1000
            7   C1c C    23.9560  -23.0890
            8   C1y C    25.1612  -23.7847
            9   C1x C    25.1616  -25.1996
            10  C1x C    26.3742  -25.8993
            11  C1x C    27.5865  -25.1989
            12  C1x C    27.5860  -23.7839
            13  C1y C    26.3734  -23.0843
            14  N1c N    23.9557  -21.7001
            15  O1a O    26.3732  -21.7001
            16  C1a C    22.7314  -20.9934
            17  C1a C    25.1562  -21.0066
            18  O1a O    19.0876  -23.1000
BOND        19
            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     5   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    8  13 1
            15    7  14 1 #Down
            16   13  15 1 #Down
            17   14  16 1
            18   14  17 1
            19    1  18 1


entry: D03524
name: --- - Ciramadol hydrochloride (USAN)
formula: C15H23NO2. HCl
activity: Analgesic
kcf:
ATOM        19
            1   X   Cl   40.9501  -23.7300
            2   C8y C    29.7500  -24.0100
            3   C8x C    29.7500  -25.4100
            4   C8x C    30.9624  -26.1100
            5   C8x C    32.1749  -25.4100
            6   C8y C    32.1749  -24.0100
            7   C8x C    30.9624  -23.3100
            8   C1c C    33.4060  -23.2990
            9   C1y C    34.6112  -23.9947
            10  C1x C    34.6116  -25.4096
            11  C1x C    35.8242  -26.1093
            12  C1x C    37.0365  -25.4089
            13  C1x C    37.0360  -23.9939
            14  C1y C    35.8234  -23.2943
            15  N1c N    33.4057  -21.9101
            16  C1a C    32.1814  -21.2034
            17  C1a C    34.6062  -21.2166
            18  O1a O    28.5376  -23.3100
            19  O1a O    35.8232  -21.9101
BOND        19
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     6   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    9  14 1
            15    8  15 1 #Down
            16   15  16 1
            17   15  17 1
            18    2  18 1
            19   14  19 1 #Down


entry: D03526
name: --- - Cisconazole (USAN)
formula: C19H15F3N2OS
activity: Antifungal
kcf:
ATOM        26
            1   C8y C    10.5700  -26.6700
            2   C8x C    10.5700  -28.0700
            3   C8x C    11.7824  -28.7700
            4   C8y C    12.9949  -28.0700
            5   C8y C    12.9949  -26.6700
            6   C8x C    11.7824  -25.9700
            7   S2x S    14.3264  -28.5026
            8   C1y C    15.1493  -27.3700
            9   C1y C    14.3264  -26.2374
            10  X   F     9.3576  -25.9700
            11  C1b C    16.5200  -27.3700
            12  N4y N    17.2200  -28.5824
            13  O2a O    14.7575  -24.9106
            14  C1b C    16.1575  -24.9106
            15  C8y C    16.8566  -23.6999
            16  C8y C    18.2697  -23.6997
            17  C8x C    18.9695  -22.4871
            18  C8x C    18.2693  -21.2748
            19  C8x C    16.8562  -21.2751
            20  C8y C    16.1564  -22.4876
            21  X   F    14.7701  -22.4877
            22  X   F    18.9833  -24.9347
            23  C8x C    18.6198  -28.5824
            24  C8x C    16.7874  -29.9138
            25  N5x N    17.9199  -30.7366
            26  C8x C    19.0524  -29.9138
BOND        29
            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    5   9 1
            11    1  10 1
            12    8  11 1 #Up
            13   11  12 1
            14    9  13 1 #Up
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   20  21 1
            24   16  22 1
            25   12  23 1
            26   12  24 1
            27   24  25 2
            28   25  26 1
            29   23  26 2


entry: D03527
name: --- - Citenamide (USAN)
formula: C16H13NO
activity: Anticonvulsant
kcf:
ATOM        18
            1   C8y C    32.7450  -18.7525
            2   C1y C    33.9990  -18.1375
            3   C8y C    35.2697  -18.7284
            4   C8y C    35.5958  -20.0807
            5   C8y C    32.4496  -20.1310
            6   C2x C    34.7422  -21.1945
            7   C2x C    33.3401  -21.2129
            8   C8x C    31.7056  -17.8135
            9   C8x C    30.3727  -18.2441
            10  C8x C    30.0773  -19.6226
            11  C8x C    31.1167  -20.5616
            12  C8x C    36.9489  -20.4432
            13  C8x C    37.9394  -19.4527
            14  C8x C    37.5769  -18.0996
            15  C8x C    36.2238  -17.7370
            16  C5a C    34.0546  -16.7378
            17  O5a O    32.8168  -16.0399
            18  N1a N    35.2439  -16.0346
BOND        20
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     1   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    5  11 2
            13    4  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15   3 2
            18    2  16 1
            19   16  17 2
            20   16  18 1


entry: D03528
name: --- - Citicoline sodium (USAN) - CerAxon (TN)
formula: C14H25N4O11P2. Na
activity: Post-stroke and post-head trauma treatment
remark: Therapeutic category: 1190 2190 2399
kcf:
ATOM        32
            1   Z   Na   19.0400  -22.3300 #+
            2   C1y C    28.3077  -22.2695
            3   C1y C    29.6775  -22.2695
            4   C1y C    30.1008  -20.9666
            5   O2x O    28.9926  -20.1615
            6   C1y C    27.8844  -20.9666
            7   N4y N    31.2872  -18.9117
            8   C1b C    26.6980  -20.2817
            9   O2b O    25.5117  -20.9666
            10  O1a O    27.5025  -23.3777
            11  O1a O    30.4827  -23.3777
            12  C8x C    32.4735  -18.2268
            13  C8x C    32.4735  -16.8569
            14  C8y C    31.2872  -16.1720
            15  N5x N    30.1009  -16.8569
            16  C8y C    30.1009  -18.2268
            17  O5x O    28.9046  -18.9175
            18  N1a N    31.2872  -14.8040
            19  P1b P    24.1418  -20.9666
            20  O2c O    22.7719  -20.9666
            21  P1b P    21.4021  -20.9666
            22  O2b O    20.0322  -20.9666
            23  O3b O    24.1418  -19.5983
            24  O0  O    24.1418  -22.3379 #-
            25  O3b O    21.4021  -19.5983
            26  O0  O    21.4021  -22.3379 #-
            27  C1b C    18.8459  -20.2817
            28  C1b C    17.6594  -20.9666
            29  N1d N    16.4977  -20.2956 #+
            30  C1a C    15.3282  -19.6199
            31  C1a C    15.8254  -21.4599
            32  C1a C    17.1952  -19.0875
BOND        32
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   6 1
            6     4   7 1 #Up
            7     6   8 1 #Up
            8     8   9 1
            9     2  10 1 #Down
            10    3  11 1 #Down
            11    7  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16    7  16 1
            17   16  17 2
            18   14  18 1
            19    9  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   19  23 2
            24   19  24 1
            25   21  25 2
            26   21  26 1
            27   22  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   29  31 1
            32   29  32 1


entry: D03529
name: --- - Clamoxyquin hydrochloride (USAN) - Clamoxyl (TN)
formula: C17H24ClN3O. 2HCl
activity: Anti-amebic
kcf:
ATOM        24
            1   C8y C    21.6064  -15.2954
            2   C8y C    21.6005  -16.7003
            3   C8y C    20.3938  -14.5899
            4   N5x N    22.8249  -14.5958
            5   C8y C    20.3938  -17.3941
            6   C8x C    22.8132  -17.3999
            7   C8y C    19.1813  -15.2954
            8   O1a O    20.3997  -13.1967
            9   C8x C    24.0374  -15.3071
            10  C8x C    19.1813  -16.7003
            11  X   Cl   20.3938  -18.7874
            12  C8x C    24.0315  -16.7062
            13  C1b C    17.9686  -14.6016
            14  N1b N    16.7630  -15.3041
            15  C1b C    15.5348  -14.6010
            16  C1b C    14.3164  -15.3102
            17  C1b C    13.1353  -14.6340
            18  N1c N    11.9456  -15.3266
            19  C1b C    10.7505  -14.6423
            20  C1a C     9.5680  -15.3308
            21  C1b C    11.9507  -16.7299
            22  C1a C    10.7552  -17.4259
            23  X   Cl   27.7200  -16.1700
            24  X   Cl   27.7200  -16.1700
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    7  10 1
            14    9  12 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   18  21 1
            23   21  22 1


entry: D03531
name: --- - Clazolam (USAN)
formula: C18H17ClN2O
activity: Tranquilizer [minor]
kcf:
ATOM        22
            1   C1y C     9.3034  -18.0694
            2   C8y C     8.4613  -16.9598
            3   C8y C     8.7965  -15.6030
            4   N1y N    10.0575  -15.0249
            5   N1y N    10.7092  -18.0946
            6   C5x C    11.3111  -15.6472
            7   C1x C    11.5976  -17.0159
            8   C8x C     7.7894  -14.6346
            9   C8x C     6.4474  -15.0227
            10  C8y C     6.1122  -16.3795
            11  C8x C     7.1193  -17.3476
            12  X   Cl    4.7474  -16.7739
            13  C8y C     8.5817  -19.2690
            14  C8y C     9.2599  -20.4938
            15  C1x C    10.6657  -20.5191
            16  C1x C    11.3873  -19.3194
            17  C8x C     7.1819  -19.2439
            18  C8x C     6.4603  -20.4436
            19  C8x C     7.1384  -21.6684
            20  C8x C     8.5382  -21.6935
            21  O5x O    12.4203  -14.7895
            22  C1a C    10.0792  -13.6500
BOND        25
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13   10  12 1
            14    1  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18    5  16 1
            19   13  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   14  20 2
            24    6  21 2
            25    4  22 1


entry: D03532
name: --- - Clazolimine (USAN)
formula: C10H10ClN3O
activity: Diuretic
kcf:
ATOM        15
            1   C8x C    21.4200  -15.1900
            2   C8y C    21.4200  -16.5900
            3   C8x C    22.6100  -17.2900
            4   C8x C    23.8700  -16.5900
            5   C8y C    23.8700  -15.1900
            6   C8x C    22.6100  -14.4900
            7   X   Cl   20.2300  -17.2900
            8   N1y N    25.0766  -14.4800
            9   C1x C    25.0766  -13.0800
            10  C2y C    26.4081  -14.9126
            11  N1y N    27.2310  -13.7800
            12  C5x C    26.4081  -12.6474
            13  O5x O    26.8322  -11.3417
            14  C1a C    28.6300  -13.7800
            15  N2a N    26.8381  -16.2363
BOND        16
            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     2   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 1
            11   10  11 1
            12   11  12 1
            13    9  12 1
            14   12  13 2
            15   11  14 1
            16   10  15 2


entry: D03533
name: --- - Clazuril (USAN)
formula: C17H10Cl2N4O2
activity: Coccidiostat [for pigeons]
kcf:
ATOM        25
            1   C8x C    23.3800  -14.5600
            2   C8y C    23.3800  -15.9600
            3   C8x C    22.1900  -16.6600
            4   C8y C    20.9300  -15.9600
            5   C8y C    20.9300  -14.5600
            6   C8x C    22.1900  -13.8600
            7   C1c C    19.7400  -13.8600
            8   C8y C    18.5500  -14.5600
            9   C8x C    18.5500  -15.9600
            10  C8x C    17.2900  -16.6600
            11  C8y C    16.1000  -15.9600
            12  C8x C    16.1000  -14.5600
            13  C8x C    17.2900  -13.8600
            14  X   Cl   14.9100  -16.5900
            15  C3b C    19.7400  -12.4600
            16  N3a N    19.7400  -11.0600
            17  X   Cl   19.7400  -16.6600
            18  N4y N    24.6400  -16.5900
            19  C8y C    24.6400  -17.9900
            20  N4x N    25.8300  -18.6900
            21  C8y C    27.0200  -17.9900
            22  C8x C    27.0200  -16.5900
            23  N5x N    25.8300  -15.8900
            24  O5x O    28.2800  -18.6900
            25  O5x O    23.3800  -18.7600
BOND        27
            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     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16    7  15 1
            17   15  16 3
            18    4  17 1
            19    2  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   21  24 2
            27   19  25 2


entry: D03534
name: --- - Clebopride (USAN) - Cleboril (TN)
formula: C20H24ClN3O2
activity: Anti-emetic
remark: Therapeutic category: 2329
kcf:
ATOM        26
            1   C8x C    32.4800  -14.6300
            2   C8x C    32.4800  -13.2300
            3   C8x C    31.2900  -12.5300
            4   C8y C    30.0300  -13.2300
            5   C8x C    30.0300  -14.6300
            6   C8x C    31.2900  -15.3300
            7   C1b C    28.8400  -12.5300
            8   N1y N    27.5800  -13.2300
            9   C1x C    26.3900  -12.5300
            10  C1x C    25.2000  -13.2300
            11  C1y C    25.2000  -14.6300
            12  C1x C    26.3900  -15.3300
            13  C1x C    27.5800  -14.6300
            14  N1b N    23.9400  -15.3300
            15  C5a C    22.7500  -14.6300
            16  C8y C    21.5600  -15.3300
            17  O5a O    22.7500  -13.2300
            18  C8x C    20.3700  -14.6300
            19  C8y C    19.1100  -15.3300
            20  C8y C    19.1100  -16.7300
            21  C8x C    20.3700  -17.4300
            22  C8y C    21.5600  -16.7300
            23  O2a O    22.7500  -17.4300
            24  C1a C    24.0100  -16.7300
            25  N1a N    17.9200  -17.4300
            26  X   Cl   17.9200  -14.6300
BOND        28
            1    15  17 2
            2     7   8 1
            3     1   2 2
            4     2   3 1
            5     3   4 2
            6     4   5 1
            7    16  18 2
            8    18  19 1
            9    19  20 2
            10   20  21 1
            11   21  22 2
            12   22  16 1
            13    5   6 2
            14   22  23 1
            15    8   9 1
            16   23  24 1
            17    9  10 1
            18   20  25 1
            19   10  11 1
            20   19  26 1
            21   11  12 1
            22   12  13 1
            23   13   8 1
            24    6   1 1
            25   11  14 1
            26   14  15 1
            27    4   7 1
            28   15  16 1


entry: D03535
name: --- - Clemastine (USAN)
formula: C21H26ClNO
activity: Antihistaminic
remark: Same as: C06913 Therapeutic category: 4419
kcf:
ATOM        24
            1   C1y C    12.6951  -14.0046
            2   N1y N    12.6951  -12.6046
            3   C1a C    11.4619  -11.8926
            4   C1x C    14.0266  -14.4373
            5   C1x C    14.8495  -13.3046
            6   C1x C    14.0266  -12.1720
            7   C8x C     5.4600  -16.8000
            8   C8y C     5.4600  -18.2000
            9   C8x C     6.6724  -18.9000
            10  C8x C     7.8849  -18.2000
            11  C8y C     7.8849  -16.8000
            12  C8x C     6.6724  -16.1000
            13  C1d C     9.0973  -16.1000
            14  X   Cl    4.2476  -18.9000
            15  O2a O     9.0973  -14.7000
            16  C1b C    10.3118  -13.9988
            17  C1b C    11.5083  -14.6898
            18  C8x C    10.3097  -18.2000
            19  C8y C    10.3097  -16.8000
            20  C8x C    11.5222  -18.9000
            21  C8x C    12.7346  -18.2000
            22  C8x C    12.7346  -16.8000
            23  C8x C    11.5222  -16.1000
            24  C1a C     7.8849  -15.4000
BOND        26
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 1
            6     2   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   11  13 1
            14    8  14 1
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   18  19 1
            19   18  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   19  23 2
            24   13  19 1 #Down
            25   13  24 1 #Up
            26    1  17 1 #Down


entry: D03536
name: --- - Clentiazem maleate (USAN)
formula: C22H25ClN2O4S. C4H4O4
activity: Antagonist [calcium channel]
remark: Therapeutic category: 2171
kcf:
ATOM        38
            1   C6a C    20.4400  -12.3200
            2   C2b C    19.6700  -11.1300
            3   O6a O    19.7400  -13.5100
            4   O6a O    21.7700  -12.3200
            5   C2b C    18.0600  -11.1300
            6   C6a C    17.4300  -12.3200
            7   O6a O    16.0300  -12.3200
            8   O6a O    18.0600  -13.5100
            9   S2x S     6.5100  -13.0900
            10  C8y C     5.6700  -11.9700
            11  C8y C     6.0200  -10.5700
            12  N1y N     7.2800  -10.0100
            13  C1y C     7.9800  -13.0900
            14  C5x C     8.5400  -10.6400
            15  C1y C     8.8200  -12.0400
            16  C8x C     5.0400   -9.5900
            17  C8x C     3.6400  -10.0100
            18  C8y C     3.3600  -11.3400
            19  C8x C     4.3400  -12.3200
            20  O5x O     9.5900   -9.7300
            21  C1b C     7.3500   -8.6100
            22  C1b C     8.3300   -7.6300
            23  N1c N     9.6600   -7.9800
            24  C1a C    10.6400   -7.0000
            25  C1a C    10.8500   -8.6800
            26  O7a O    10.2200  -12.3200
            27  C8y C     8.5400  -14.3500
            28  C8x C     8.5400  -15.7500
            29  C8x C     9.7300  -16.4500
            30  C8y C    10.9900  -15.7500
            31  C8x C    10.9900  -14.3500
            32  C8x C     9.7300  -13.6500
            33  C7a C    11.4100  -11.6200
            34  C1a C    12.6000  -12.3200
            35  O7a O    11.4100  -10.2200
            36  O2a O    12.1800  -16.4500
            37  C1a C    13.3700  -15.7500
            38  X   Cl    2.0180  -11.7389
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    11  12 1
            9     9  13 1
            10   12  14 1
            11   10  11 1
            12   13  15 1
            13    9  10 1
            14   14  15 1
            15   11  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   10  19 2
            20   14  20 2
            21   12  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   23  25 1
            26   15  26 1 #Down
            27   13  27 1 #Down
            28   27  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 2
            32   31  32 1
            33   27  32 2
            34   26  33 1
            35   33  34 1
            36   33  35 2
            37   30  36 1
            38   36  37 1
            39   18  38 1


entry: D03537
name: --- - Clevudine (USAN)
formula: C10H13FN2O5
activity: Antiviral used in the treatment of hepatitis B infection
remark: Therapeutic category: 6250
kcf:
ATOM        18
            1   C1y C    22.2648  -15.8942
            2   C1y C    23.6652  -15.8942
            3   C1y C    24.0979  -14.5623
            4   O2x O    22.9650  -13.7391
            5   C1y C    21.8320  -14.5623
            6   O1a O    21.4416  -17.0271
            7   C1b C    20.5120  -14.1333
            8   O1a O    19.4674  -15.0738
            9   N4y N    25.4180  -14.1333
            10  X   F    24.4884  -17.0271
            11  C8x C    26.6252  -14.8494
            12  C8y C    27.8465  -14.1640
            13  C8y C    27.8634  -12.7636
            14  N4x N    26.6547  -12.0461
            15  C8y C    25.4336  -12.7316
            16  C1a C    29.0477  -14.8771
            17  O5x O    29.0684  -12.0877
            18  O5x O    24.2090  -12.0049
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Up
            7     5   7 1 #Down
            8     7   8 1
            9     3   9 1 #Down
            10    2  10 1 #Down
            11    9  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    9  15 1
            17   12  16 1
            18   13  17 2
            19   15  18 2


entry: D03538
name: --- - Clioquinol (USP)
formula: C9H5ClINO
activity: Anti-amebic; Anti-infective, topical
remark: Therapeutic category: 2529
comment: Component of Nystaform (TN)
kcf:
ATOM        13
            1   C8y C    21.2803  -18.4105
            2   C8x C    21.2803  -19.8105
            3   C8y C    22.4927  -20.5105
            4   C8y C    23.7052  -19.8105
            5   C8y C    23.7052  -18.4105
            6   C8y C    22.4927  -17.7104
            7   C8x C    24.9176  -20.5105
            8   C8x C    26.1301  -19.8105
            9   C8x C    26.1301  -18.4105
            10  N5x N    24.9176  -17.7104
            11  O1a O    22.4927  -16.3106
            12  X   I    20.0678  -17.7104
            13  X   Cl   22.4927  -21.9104
BOND        14
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    6  11 1
            13    1  12 1
            14    3  13 1


entry: D03539
name: --- - Clioxanide (USAN)
formula: C15H10ClI2NO3
activity: Anthelmintic
kcf:
ATOM        22
            1   C8x C    18.8566  -19.4932
            2   C8y C    18.8566  -20.8958
            3   C8x C    20.0713  -21.5971
            4   C8x C    21.2860  -20.8958
            5   C8y C    21.2860  -19.4932
            6   C8x C    20.0713  -18.7919
            7   X   Cl   17.6419  -21.5971
            8   N1b N    22.5195  -18.7808
            9   C5a C    23.7269  -19.4778
            10  C8y C    24.9115  -18.7938
            11  O5a O    23.7273  -20.8954
            12  C8y C    26.1077  -19.4844
            13  C8y C    27.3224  -18.7830
            14  C8x C    27.3224  -17.3804
            15  C8y C    26.1263  -16.6898
            16  C8x C    24.9115  -17.3911
            17  X   I    28.5560  -19.4954
            18  X   I    26.1262  -15.2854
            19  O7a O    26.1078  -20.8955
            20  C7a C    27.3019  -21.5850
            21  C1a C    28.4892  -20.8994
            22  O7a O    27.3021  -22.9995
BOND        23
            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     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   10  16 2
            18   13  17 1
            19   15  18 1
            20   12  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2


entry: D03540
name: --- - Cliprofen (USAN)
formula: C14H11ClO3S
activity: Anti-inflammatory
remark: Therapeutic category: 2649
kcf:
ATOM        19
            1   C8y C    15.4000  -16.4500
            2   C8y C    15.4000  -17.8500
            3   C8x C    16.6124  -18.5500
            4   C8x C    17.8249  -17.8500
            5   C8y C    17.8249  -16.4500
            6   C8x C    16.6124  -15.7500
            7   C1c C    19.0560  -15.7390
            8   C5a C    14.1876  -18.5500
            9   X   Cl   14.1876  -15.7500
            10  C8y C    12.9921  -17.8596
            11  O5a O    14.1875  -19.9498
            12  C8x C    12.8451  -16.4610
            13  C8x C    11.4695  -16.1686
            14  C8x C    10.7663  -17.3865
            15  S2x S    11.7073  -18.4316
            16  C6a C    20.2612  -16.4347
            17  C1a C    19.0557  -14.3501
            18  O6a O    21.4435  -15.7519
            19  O6a O    20.2616  -17.8496
BOND        20
            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     5   7 1
            8     2   8 1
            9     1   9 1
            10    8  10 1
            11    8  11 2
            12   10  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 1
            17    7  16 1
            18    7  17 1
            19   16  18 1
            20   16  19 2


entry: D03541
name: --- - Clocortolone acetate (USAN)
formula: C24H30ClFO5
activity: Glucocorticoid
kcf:
ATOM        31
            1   C2x C    19.1557  -16.0340
            2   C5x C    19.1557  -17.3902
            3   C2x C    20.3301  -18.0684
            4   C2y C    21.5046  -17.3902
            5   C1z C    21.5046  -16.0340
            6   C2x C    20.3301  -15.3559
            7   C1y C    22.6792  -18.0684
            8   C1x C    23.8536  -17.3902
            9   C1y C    23.8536  -16.0340
            10  C1z C    22.6792  -15.3559
            11  C1y C    25.0280  -15.3559
            12  C1z C    25.0280  -13.9997
            13  C1x C    23.8536  -13.3217
            14  C1y C    22.6792  -13.9997
            15  C1x C    27.3771  -15.3559
            16  C1y C    27.3771  -13.9997
            17  C1y C    26.2026  -13.3217
            18  C5a C    26.2079  -11.5019
            19  C1b C    27.3849  -10.8284
            20  O5a O    25.0358  -10.8194
            21  X   F    22.6817  -19.4245
            22  X   Cl   22.6817  -16.7122
            23  C1a C    28.5563  -13.3190
            24  C1a C    24.9659  -12.6436
            25  C1a C    21.5063  -14.6779
            26  O5x O    17.9811  -18.0684
            27  O1a O    21.5066  -13.3228
            28  O7a O    28.5824  -11.5260
            29  C7a C    29.7799  -10.8406
            30  C1a C    30.9569  -11.5262
            31  O7a O    29.7157   -9.4289
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   18  19 1
            23   18  20 2
            24    7  21 1 #Down
            25   10  22 1 #Down
            26   16  23 1 #Down
            27   12  24 1 #Up
            28    5  25 1 #Up
            29    2  26 2
            30   14  27 1 #Up
            31   19  28 1
            32   28  29 1
            33   29  30 1
            34   29  31 2


entry: D03542
name: --- - Clodanolene (USAN)
formula: C14H9Cl2N3O3
activity: Relaxant [skeletal mescle]
remark: Therapeutic category: 1229
kcf:
ATOM        22
            1   C8y C     8.9600  -20.9300
            2   C8y C     8.9600  -22.3300
            3   C8x C    10.1724  -23.0300
            4   C8x C    11.3849  -22.3300
            5   C8y C    11.3849  -20.9300
            6   C8x C    10.1724  -20.2300
            7   X   Cl    7.7476  -23.0300
            8   X   Cl    7.7476  -20.2300
            9   C8y C    12.6160  -20.2190
            10  C8x C    12.6160  -18.8190
            11  O2x O    13.9475  -20.6516
            12  C8y C    14.7704  -19.5190
            13  C8x C    13.9475  -18.3864
            14  C2b C    16.1700  -19.5190
            15  N2b N    16.8747  -20.7397
            16  N1y N    18.2699  -20.7396
            17  C5x C    19.0836  -21.8593
            18  N1x N    20.4000  -21.4314
            19  C5x C    20.3998  -20.0472
            20  C1x C    19.0833  -19.6196
            21  O5x O    18.6598  -23.1656
            22  O5x O    21.5251  -19.2290
BOND        24
            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     2   7 1
            8     1   8 1
            9     5   9 1
            10    9  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 2
            14   10  13 1
            15   12  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   16  20 1
            23   17  21 2
            24   19  22 2


entry: D03543
name: --- - Clodazon hydrochloride (USAN)
formula: C18H20ClN3O. HCl. H2O
activity: Antidepressant
kcf:
ATOM        25
            1   C8x C    14.3500  -12.6000
            2   C8y C    14.3500  -14.0000
            3   C8x C    15.5624  -14.7000
            4   C8y C    16.7749  -14.0000
            5   C8y C    16.7749  -12.6000
            6   C8x C    15.5624  -11.9000
            7   N4y N    18.1064  -14.4326
            8   C8y C    18.9293  -13.3000
            9   N4y N    18.1064  -12.1674
            10  O5x O    20.3000  -13.3000
            11  X   Cl   13.1376  -14.7000
            12  C1b C    18.5375  -10.8406
            13  C8y C    18.5375  -15.7594
            14  C1b C    19.9375  -10.8406
            15  C8x C    19.9375  -15.7594
            16  C8x C    17.8375  -16.9718
            17  C8x C    18.5375  -18.1842
            18  C8x C    19.9375  -18.1842
            19  C8x C    20.6375  -16.9718
            20  N1c N    22.0376   -9.6283
            21  C1b C    20.6376   -9.6282
            22  C1a C    22.7272   -8.4347
            23  C1a C    22.7543  -10.8699
            24  X   Cl   23.7300  -15.6100
            25  O0  O    24.0100  -13.6500
BOND        25
            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    5   9 1
            11    8  10 2
            12    2  11 1
            13    9  12 1
            14    7  13 1
            15   12  14 1
            16   13  15 1
            17   13  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   15  19 2
            22   20  21 1
            23   14  21 1
            24   20  22 1
            25   20  23 1


entry: D03544
name: --- - Sodium clodronate hydrate (JAN) - Clodronate disodium (USAN) - Bonefos (TN)
formula: CH2Cl2O6P2. 4H2O. 2Na
activity: Bone calcium regulator
remark: Therapeutic category: 3999
kcf:
ATOM        17
            1   C1d C    16.6881  -12.1805
            2   P1b P    15.7024  -12.1751
            3   P1b P    17.6421  -12.1805
            4   O0  O    15.7024  -13.5267 #-
            5   O1c O    14.2568  -12.1280
            6   O3b O    15.7024  -10.8239
            7   O0  O    17.6315  -13.5267 #-
            8   O1c O    18.9245  -12.1492
            9   O3b O    17.6421  -10.8239
            10  X   Cl   16.6843  -14.3498
            11  X   Cl   16.6920  -10.0804
            12  Z   Na   13.7900  -14.4900 #+
            13  Z   Na   18.9700  -14.4900 #+
            14  O0  O    24.9900  -13.2300
            15  O0  O    24.9900  -13.2300
            16  O0  O    24.9900  -13.2300
            17  O0  O    24.9900  -13.2300
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 2
            9     1  10 1
            10    1  11 1


entry: D03545
name: --- - Clodronic acid (USAN)
formula: CH4Cl2O6P2
activity: Regulator [calcium]
kcf:
ATOM        11
            1   C1d C    15.6580  -14.1285
            2   P1b P    14.6959  -14.1232
            3   P1b P    16.5891  -14.1285
            4   O1c O    14.6959  -15.4424
            5   O1c O    13.2850  -14.0772
            6   O3b O    14.6959  -12.8044
            7   O1c O    16.5788  -15.4424
            8   O1c O    17.8408  -14.0979
            9   O3b O    16.5891  -12.8044
            10  X   Cl   15.6543  -16.2457
            11  X   Cl   15.6618  -12.0787
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 2
            9     1  10 1
            10    1  11 1


