# drugs

entry: D01637
name: --- - Betamethasone dipropionate (JP15/USP) - Diprolene (TN) - Rinderon-DP (TN)
formula: C28H37FO7
activity: Glucocorticoid
remark: Therapeutic category: 2646
kcf:
ATOM        36
            1   C2x C     6.3892  -13.6510
            2   C5x C     6.3892  -15.0117
            3   C2x C     7.5675  -15.6920
            4   C2y C     8.7459  -15.0117
            5   C1z C     8.7459  -13.6510
            6   C2x C     7.5675  -12.9707
            7   C1x C     9.9243  -15.6920
            8   C1x C    11.1026  -15.0117
            9   C1y C    11.1026  -13.6510
            10  C1z C     9.9243  -12.9707
            11  C1y C    12.2810  -12.9707
            12  C1z C    12.2810  -11.6100
            13  C1x C    11.1026  -10.9297
            14  C1y C     9.9243  -11.6100
            15  C1x C    14.6377  -12.9707
            16  C1y C    14.6377  -11.6100
            17  C1z C    13.4594  -10.9297
            18  C1a C     8.7459  -12.2903
            19  O1a O     8.7479  -10.9309
            20  C1a C    12.2810  -10.2494
            21  C1a C    15.8036  -10.9368
            22  C5a C    13.4594   -9.2289
            23  X   F     9.9243  -14.3313
            24  O7a O    15.2677   -9.8294
            25  O5x O     5.2109  -15.6920
            26  O5a O    14.6417   -8.5463
            27  C1b C    12.2849   -8.5508
            28  O7a O    11.1250   -9.2207
            29  C7a C     9.9245   -8.5280
            30  C1b C     8.7188   -9.2247
            31  C1a C     7.5362   -8.5423
            32  O7a O     9.9243   -7.1401
            33  C7a C    16.6677   -9.8294
            34  O7a O    17.3532  -11.0163
            35  C1b C    17.3786   -8.5985
            36  C1a C    18.7600   -8.5989
BOND        39
            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    5  18 1 #Up
            22   14  19 1 #Up
            23   12  20 1 #Up
            24   16  21 1 #Up
            25   17  22 1 #Up
            26   10  23 1 #Down
            27   17  24 1 #Down
            28    2  25 2
            29   22  26 2
            30   22  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   29  32 2
            36   24  33 1
            37   33  34 2
            38   33  35 1
            39   35  36 1


entry: D01638
name: --- - Afloqualone (JP15) - Airomate (TN)
formula: C16H14FN3O
remark: Therapeutic category: 1249
kcf:
ATOM        21
            1   C8y C    17.5791  -17.6924
            2   C8x C    17.5791  -19.0929
            3   C8x C    18.7949  -19.7932
            4   C8x C    18.7949  -16.9921
            5   C8y C    20.0036  -17.6924
            6   C8y C    19.9975  -19.0929
            7   N5x N    21.2074  -19.7983
            8   C8y C    22.4234  -19.1033
            9   N4y N    22.4294  -17.7027
            10  C8y C    21.2195  -16.9974
            11  C8y C    23.6452  -17.0077
            12  O5x O    21.2254  -15.5968
            13  C1b C    23.6333  -19.8086
            14  N1a N    16.3665  -16.9914
            15  C8x C    24.8514  -17.7163
            16  C8x C    26.0674  -17.0213
            17  C8x C    26.0733  -15.6208
            18  C8x C    24.8634  -14.9154
            19  C8y C    23.6476  -15.6104
            20  C1a C    22.4367  -14.9066
            21  X   F    24.8492  -19.1136
BOND        23
            1    10   5 1
            2     9  11 1
            3     1   2 2
            4    10  12 2
            5     2   3 1
            6     8  13 1
            7     3   6 2
            8     1  14 1
            9     5   4 2
            10    4   1 1
            11    5   6 1
            12    6   7 1
            13    7   8 2
            14   11  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  11 1
            20    8   9 1
            21   19  20 1
            22    9  10 1
            23   13  21 1


entry: D01639
name: --- - Tibolone (JAN/USAN)
formula: C21H28O2
activity: Menopausal symptoms suppressant
remark: Therapeutic category: 2499
kcf:
ATOM        23
            1   C1x C    20.7987  -18.9648
            2   C5x C    20.7987  -20.3340
            3   C1x C    21.9874  -21.0187
            4   C1x C    21.9874  -18.2801
            5   C2y C    23.1691  -18.9648
            6   C2y C    23.1633  -20.3340
            7   C1x C    24.3462  -21.0236
            8   C1y C    25.5349  -20.3442
            9   C1y C    24.3580  -18.2853
            10  C1y C    25.5351  -18.9777
            11  C1x C    25.5575  -16.2465
            12  C1x C    24.3691  -16.9195
            13  C1z C    26.7320  -16.9461
            14  C1y C    26.7181  -18.3004
            15  C1x C    29.0641  -18.2546
            16  C1x C    29.0780  -16.9701
            17  C1z C    27.9119  -16.2809
            18  C1a C    26.7193  -21.0313
            19  C1a C    26.7184  -15.5761
            20  O1a O    27.9010  -14.6255
            21  C3b C    29.0905  -15.5831
            22  C3a C    30.2730  -14.8915
            23  O5x O    19.6134  -21.0193
BOND        26
            1    11  12 1
            2    12   9 1
            3     2   3 1
            4     3   6 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8    13  14 1
            9    15  16 1
            10   16  17 1
            11   17  13 1
            12   14  15 1
            13    8  10 1
            14    8  18 1 #Down
            15    9   5 1
            16    5   4 1
            17    4   1 1
            18   13  19 1 #Up
            19   17  20 1 #Up
            20    1   2 1
            21   17  21 1 #Down
            22    9  10 1
            23   21  22 3
            24   10  14 1
            25    2  23 2
            26   13  11 1


entry: D01640
name: --- - Tocamphyl (JAN/USAN)
formula: C19H26O4. C4H11NO2
activity: Choleretic
remark: Therapeutic category: 2369
kcf:
ATOM        30
            1   C6a C    14.3834  -17.2465
            2   O6a O    13.1649  -17.9436
            3   C1y C    15.5939  -17.9574
            4   O6a O    14.3213  -15.8450
            5   C7a C    19.0818  -17.2604
            6   C1z C    17.8704  -17.9574
            7   O7a O    20.2923  -17.9715
            8   O7a O    19.0897  -15.8589
            9   C1x C    17.4293  -19.2900
            10  C1z C    16.7321  -17.1279
            11  C1x C    16.0278  -19.2900
            12  C1a C    17.4364  -15.9305
            13  C1a C    16.0631  -15.9025
            14  C1c C    21.5110  -17.2742
            15  C8y C    22.7217  -17.9852
            16  C1a C    21.5189  -15.8727
            17  C8x C    22.7800  -19.3809
            18  C8x C    23.9207  -20.0849
            19  C8y C    25.1393  -19.3946
            20  C8x C    25.1473  -17.9931
            21  C8x C    23.9366  -17.2822
            22  C1a C    26.3500  -20.0988
            23  C1a C    18.8308  -18.9589
            24  O1a O    29.4438  -18.3109
            25  C1b C    30.6552  -17.6136
            26  C1b C    31.8665  -18.3039
            27  N1b N    33.0777  -17.6067
            28  C1b C    34.2891  -18.2968
            29  C1b C    35.5005  -17.5996
            30  O1a O    36.7117  -18.2897
BOND        30
            1     9   6 1
            2     6  10 1
            3    15  17 2
            4    17  18 1
            5    18  19 2
            6    19  20 1
            7    20  21 2
            8    21  15 1
            9    10   3 1
            10   19  22 1
            11    3  11 1
            12    6  23 1
            13   11   9 1
            14    5   6 1
            15   10  12 1
            16    1   3 1
            17   10  13 1
            18    5   7 1
            19    7  14 1
            20   14  15 1
            21    5   8 2
            22   14  16 1
            23    1   4 2
            24    1   2 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1


entry: D01642
name: --- - Bismuth subnitrate (JP15/USP) - Mammol (TN)
formula: BiN3H2O9
activity: Pharmaceutic necessity
remark: Same as: C13102 Therapeutic category: 2315
kcf:
ATOM        13
            1   N2b N    19.4541  -15.0398 #+
            2   O2a O    19.4472  -16.4357
            3   O0  O    18.4599  -14.0456 #-
            4   O3a O    20.8697  -14.1246
            5   Z   Bi   20.6528  -17.1338
            6   O2a O    21.8626  -16.4373
            7   N1c N    23.0707  -17.1366 #+
            8   O0  O    24.6306  -16.4401 #-
            9   O1b O    23.0690  -18.5327
            10  O2a O    20.6922  -18.5298
            11  N2b N    19.0833  -19.2217 #+
            12  O3a O    17.8778  -18.5176
            13  O0  O    19.0760  -20.6168 #-
BOND        12
            1     6   7 1
            2     1   4 2
            3     7   8 1
            4     7   9 1
            5     2   5 1
            6     5  10 1
            7     1   3 1
            8    10  11 1
            9     6   5 1
            10   11  12 2
            11    1   2 1
            12   11  13 1


entry: D01643
formula: 5H2O. (C7H5NO3)2. H2O. OH. Al. Ca
remark: Therapeutic category: 6221
name:
--- 
- Aluminoparaaminosalicylate Calcium (JAN)
- Aluminoparaaminosalicylate calcium pentahydrate
- Alumino nippas calcium (TN)

kcf:
ATOM        31
            1   O6a O    26.5311  -17.2941
            2   O0  O    27.7440  -19.3950 #-
            3   C8y C    28.9570  -18.6947
            4   C8y C    28.9570  -17.2941
            5   C6a C    27.7440  -16.5938
            6   C8x C    30.1699  -19.3950
            7   C8y C    31.3829  -18.6947
            8   C8x C    31.3829  -17.2941
            9   C8x C    30.1699  -16.5938
            10  N1a N    32.5850  -19.3888
            11  O0  O    27.7440  -15.1933 #-
            12  O0  O    24.7858  -16.2437 #-
            13  O0  O    25.2760  -20.2353
            14  C8y C    17.8530  -17.2941
            15  C8x C    17.8530  -18.6947
            16  C8x C    19.0659  -19.3950
            17  C8y C    20.2789  -18.6947
            18  C8y C    20.2789  -17.2941
            19  C8x C    19.0659  -16.5938
            20  C6a C    21.4918  -19.3950
            21  O6a O    22.7047  -18.6947
            22  O0  O    21.4918  -16.5938 #-
            23  N1a N    16.6401  -16.5938
            24  O0  O    21.4918  -20.7955 #-
            25  Z   Al   24.0856  -17.9944 #3+
            26  Z   Ca   36.4106  -16.2440 #2+
            27  O0  O    37.5200  -18.3400
            28  O0  O    37.5200  -18.3400
            29  O0  O    37.5200  -18.3400
            30  O0  O    37.5200  -18.3400
            31  O0  O    37.5200  -18.3400
BOND        22
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     1   5 2
            5     3   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     4   9 2
            10    7  10 1
            11    5  11 1
            12   14  15 2
            13   15  16 1
            14   16  17 2
            15   17  18 1
            16   18  19 2
            17   14  19 1
            18   17  20 1
            19   20  21 2
            20   18  22 1
            21   14  23 1
            22   20  24 1


entry: D01644
name: --- - Ferric ammonium citrate (JAN/USP) - Ferriseltz (TN)
formula: C6H5O7. xFe. xNH3
remark: Therapeutic category: 7290
kcf:
ATOM        15
            1   Z   Fe   25.8234  -15.9601 #3+
            2   N0  N    26.3253  -19.7076
            3   C1d C    20.5390  -17.1422
            4   C1b C    19.3277  -17.8385
            5   C1b C    21.7502  -17.8325
            6   C6a C    21.2294  -15.9250
            7   O1a O    19.8308  -15.9250
            8   C6a C    18.1222  -17.1480
            9   C6a C    21.7385  -19.2311
            10  O0  O    20.5213  -14.7080 #-
            11  O6a O    22.6338  -15.9250
            12  O0  O    16.9111  -17.8502 #-
            13  O6a O    18.1105  -15.7495
            14  O0  O    22.9498  -19.9333 #-
            15  O6a O    20.5213  -19.9274
BOND        12
            1     3   4 1
            2     3   5 1
            3     3   6 1
            4     3   7 1
            5     4   8 1
            6     5   9 1
            7     6  10 1
            8     6  11 2
            9     8  12 1
            10    8  13 2
            11    9  14 1
            12    9  15 2


entry: D01646
name: --- - Gadoversetamide (JAN/USP) - Optimark (TN)
formula: C20H34N5O10. Gd
activity: Diagnostic aid [paramagnetic; brain disorders; spine disorders]
remark: Therapeutic category: 7290
kcf:
ATOM        36
            1   N1b N    17.5913  -16.2598
            2   C5a C    18.8024  -15.5587
            3   C1b C    20.0135  -16.2527
            4   N1c N    21.2246  -15.5515
            5   C1b C    22.4357  -16.2455
            6   C1b C    23.6468  -15.5444
            7   N1c N    24.8579  -16.2386
            8   C1b C    26.0689  -15.5374
            9   C1b C    27.2800  -16.2314
            10  N1c N    28.4911  -15.5303
            11  C1b C    29.7022  -16.2243
            12  C5a C    30.9133  -15.5231
            13  N1b N    32.1244  -16.2173
            14  O5a O    18.7993  -14.1563
            15  O5a O    30.9103  -14.1208
            16  C1b C    24.8610  -17.6409
            17  C6a C    23.6480  -18.3446
            18  O0  O    23.6512  -19.7470 #-
            19  O6a O    22.4321  -17.6462
            20  C1b C    21.2215  -14.1492
            21  C6a C    22.4345  -13.4453
            22  O0  O    22.4313  -12.0430 #-
            23  O6a O    23.6504  -14.1439
            24  C1b C    28.4881  -14.1279
            25  C6a C    27.2720  -13.4295
            26  O0  O    27.2690  -12.0272 #-
            27  O6a O    26.0592  -14.1332
            28  C1b C    33.3355  -15.5160
            29  C1b C    34.5467  -16.2172
            30  O2a O    35.7578  -15.5160
            31  C1a C    36.9689  -16.2172
            32  C1b C    16.3802  -15.5585
            33  C1b C    15.1691  -16.2597
            34  O2a O    13.9580  -15.5585
            35  C1a C    12.7469  -16.2597
            36  Z   Gd   24.5039  -12.3078 #3+
BOND        34
            1    12  13 1
            2     2  14 2
            3     5   6 1
            4    12  15 2
            5     1   2 1
            6     7  16 1
            7     6   7 1
            8    16  17 1
            9    17  18 1
            10    7   8 1
            11   17  19 2
            12    2   3 1
            13    4  20 1
            14    8   9 1
            15   20  21 1
            16   21  22 1
            17    9  10 1
            18   21  23 2
            19    3   4 1
            20   13  28 1
            21   28  29 1
            22   10  24 1
            23   29  30 1
            24   10  11 1
            25   30  31 1
            26   24  25 1
            27    1  32 1
            28   25  26 1
            29   32  33 1
            30   11  12 1
            31   33  34 1
            32   25  27 2
            33   34  35 1
            34    4   5 1


entry: D01647
name: --- - Ethyl parahydroxybenzoate (JP15) - Ethylparaben (NF) - Ethyl parahydroxybenzoate (TN)
formula: C9H10O3
activity: Pharmaceutic aid [antifungal agent]
remark: Therapeutic category: 7311
kcf:
ATOM        12
            1   C8x C     7.4200  -13.7200
            2   C8x C     7.4200  -15.1200
            3   C8y C     8.6324  -15.8200
            4   C8x C     9.8449  -15.1200
            5   C8x C     9.8449  -13.7200
            6   C8y C     8.6324  -13.0200
            7   C7a C     8.6324  -11.6202
            8   O1a O     8.6324  -17.2198
            9   O7a O     7.4032  -10.9103
            10  O7a O     9.8280  -10.9298
            11  C1b C     6.1992  -11.6054
            12  C1a C     5.0163  -10.9223
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     6   7 1
            8     3   8 1
            9     7   9 1
            10    7  10 2
            11    9  11 1
            12   11  12 1


entry: D01649
name: --- - Propicillin potassium (JAN)
formula: C18H21N2O5S. K
remark: Same as: C13110 Therapeutic category: 6111
comment: semisynthetic penicillin: narrow spectrum penicillin
kcf:
ATOM        27
            1   C1y C    28.2474  -15.2160
            2   C5x C    28.2474  -16.6202
            3   N1y N    29.6517  -16.6202
            4   C1y C    29.6517  -15.2160
            5   C1y C    30.9856  -17.0414
            6   C1z C    31.8280  -15.9180
            7   S2x S    30.9856  -14.7946
            8   C1a C    32.8111  -16.9009
            9   C1a C    32.8111  -14.9350
            10  C6a C    31.4771  -18.3753
            11  O0  O    32.8811  -18.3753 #-
            12  O6a O    30.6344  -19.4986
            13  N1b N    27.0539  -14.5138
            14  C5a C    25.8603  -15.2160
            15  O5x O    27.0539  -17.3222
            16  O5a O    25.8603  -16.6202
            17  C1c C    24.6414  -14.5187
            18  O2a O    23.4495  -15.2137
            19  C8y C    22.2365  -14.5133
            20  C1b C    24.6354  -13.1543
            21  C8x C    22.2362  -13.0845
            22  C8x C    21.0242  -12.3850
            23  C8x C    19.8125  -13.0849
            24  C8x C    19.8127  -14.5138
            25  C8x C    21.0247  -15.2132
            26  C1a C    25.8457  -12.4484
            27  Z   K    34.3547  -18.4020 #+
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   18  19 1
            21   17  20 1
            22   19  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   19  25 1
            28   20  26 1


entry: D01650
name: --- - Proxazole citrate (JAN/USAN) - Toness (TN)
formula: C17H25N3O. C6H8O7
activity: Analgesic; Anti-inflammatory; Relaxant [smooth muscle]
kcf:
ATOM        34
            1   C1d C    35.5831  -18.7099
            2   C1b C    34.3733  -19.4052
            3   C1b C    36.7930  -19.3994
            4   C6a C    36.2728  -17.4941
            5   O1a O    34.8759  -17.4941
            6   C6a C    33.1692  -18.7156
            7   C6a C    36.8512  -20.7963
            8   O6a O    35.5655  -16.2785
            9   O6a O    37.6754  -17.4941
            10  O6a O    31.9596  -19.4169
            11  O6a O    33.1576  -17.3188
            12  O6a O    37.9911  -21.4976
            13  O6a O    35.5655  -21.4917
            14  C8x C    16.0614  -18.9285
            15  C8x C    16.0614  -17.5265
            16  C8x C    17.2794  -16.8290
            17  C8y C    18.4834  -17.5265
            18  C8x C    18.4834  -18.9285
            19  C8x C    17.2794  -19.6332
            20  C1c C    19.6989  -16.8300
            21  C8y C    20.8520  -17.6246
            22  N5x N    21.9789  -16.7901
            23  C8y C    23.1200  -17.6054
            24  N5x N    21.2818  -18.9445
            25  O2x O    22.6796  -18.9417
            26  C1b C    24.3367  -16.9091
            27  N1c N    26.7535  -16.9159
            28  C1b C    25.5439  -17.6107
            29  C1b C    19.6637  -15.4828
            30  C1a C    20.9930  -14.7895
            31  C1b C    27.9601  -17.6161
            32  C1a C    29.1697  -16.9213
            33  C1b C    26.7567  -15.5209
            34  C1a C    27.9664  -14.8261
BOND        34
            1     3   7 1
            2     4   8 1
            3     4   9 2
            4     6  10 1
            5     6  11 2
            6     7  12 1
            7     7  13 2
            8     1   2 1
            9     1   3 1
            10    1   4 1
            11    1   5 1
            12    2   6 1
            13   17  18 1
            14   21  22 1
            15   23  25 1
            16   24  21 2
            17   24  25 1
            18   18  19 2
            19   19  14 1
            20   23  26 1
            21   17  20 1
            22   14  15 2
            23   20  21 1
            24   15  16 1
            25   27  28 1
            26   28  26 1
            27   22  23 2
            28   16  17 2
            29   20  29 1
            30   29  30 1
            31   27  31 1
            32   31  32 1
            33   27  33 1
            34   33  34 1


entry: D01652
name: --- - Apafant (JAN/USAN)
formula: C22H24ClN5O2S
activity: Platelet activating factor antagonist
remark: Therapeutic category: 4490
kcf:
ATOM        31
            1   C2y C    19.3834  -15.8294
            2   C1y C    18.5413  -14.7198
            3   C1y C    18.8765  -13.3630
            4   N4y N    20.1375  -12.7849
            5   N2x N    20.7892  -15.8546
            6   C8y C    21.3911  -13.4072
            7   C1x C    21.6776  -14.7759
            8   C8y C    18.7489  -17.0791
            9   C8x C    17.3473  -17.0791
            10  C8x C    16.6473  -18.2916
            11  C8x C    17.3473  -19.5040
            12  C8x C    18.7489  -19.5040
            13  C8y C    19.4489  -18.2916
            14  X   Cl   20.8598  -18.2917
            15  N5x N    22.3704  -12.4073
            16  N5x N    21.7220  -11.1670
            17  C8y C    20.3420  -11.4004
            18  S2x S    17.6897  -12.6249
            19  C2y C    16.6210  -13.5256
            20  C2x C    17.1473  -14.8202
            21  C1a C    19.3611  -10.4394
            22  C1b C    15.4085  -12.8256
            23  C1b C    14.1961  -13.5256
            24  C5a C    12.9875  -12.8277
            25  N1y N    11.8071  -13.5092
            26  O5a O    12.9872  -11.4104
            27  C1x C    11.8071  -14.9092
            28  C1x C    10.5947  -12.8092
            29  C1x C     9.3822  -13.5092
            30  O2x O     9.3822  -14.9092
            31  C1x C    10.5947  -15.6092
BOND        35
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     1   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   13  14 1
            16    6  15 2
            17   15  16 1
            18   16  17 2
            19    4  17 1
            20    3  18 1
            21   18  19 1
            22   19  20 2
            23    2  20 1
            24   17  21 1
            25   19  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   24  26 2
            30   25  27 1
            31   25  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   27  31 1


entry: D01653
name: --- - Benserazide hydrochloride (JP15)
formula: C10H15N3O5. HCl
activity: Inhibitor
remark: Therapeutic category: 1169
comment: Component of Madopar (TN)
kcf:
ATOM        19
            1   C8y C    23.9725  -16.2472
            2   C8y C    23.9725  -17.6495
            3   C8x C    25.1899  -18.3506
            4   C8x C    26.4001  -17.6495
            5   C8y C    26.4001  -16.2472
            6   C8y C    25.1899  -15.5461
            7   O1a O    25.1916  -14.1437
            8   O1a O    22.7584  -15.5454
            9   O1a O    22.7584  -18.3513
            10  C1b C    27.6057  -15.5532
            11  N1b N    28.8168  -16.2543
            12  N1b N    30.0278  -15.5602
            13  C5a C    31.2389  -16.2613
            14  C1c C    32.4500  -15.5673
            15  C1b C    33.6610  -16.2685
            16  O1a O    34.8721  -15.5745
            17  O5a O    31.2359  -17.6636
            18  N1a N    32.4530  -14.1649
            19  X   Cl   34.9641  -18.5135
BOND        18
            1     2   9 1
            2     2   3 1
            3     5  10 1
            4     3   4 2
            5    10  11 1
            6     4   5 1
            7    11  12 1
            8     5   6 2
            9    12  13 1
            10    6   1 1
            11   13  14 1
            12   14  15 1
            13    6   7 1
            14   15  16 1
            15   13  17 2
            16    1   8 1
            17   14  18 1
            18    1   2 2


entry: D01654
name: --- - Bepotastine besilate (JAN) - Talion (TN)
formula: C21H25ClN2O3. C6H6O3S
remark: Therapeutic category: 4490
kcf:
ATOM        37
            1   C8x C    33.9659  -19.7205
            2   C8x C    33.9659  -21.1197
            3   C8x C    35.1806  -21.8193
            4   C8x C    36.3880  -21.1197
            5   C8x C    36.3880  -19.7205
            6   C8y C    35.1806  -19.0209
            7   S4a S    35.1823  -17.6217
            8   O1d O    35.2443  -16.2226
            9   O3c O    36.5806  -17.6217
            10  O3c O    33.7821  -17.6217
            11  C1c C    23.1083  -18.7797
            12  C8y C    21.8853  -19.4645
            13  C8y C    24.3022  -19.4996
            14  O2a O    23.1258  -17.3751
            15  C8x C    21.9145  -20.8689
            16  C8x C    20.6797  -18.7387
            17  C1y C    24.3374  -16.6905
            18  C8x C    20.6387  -21.5537
            19  C8x C    19.4507  -19.4293
            20  C8y C    19.4739  -20.8397
            21  X   Cl   18.1984  -21.5245
            22  C1x C    25.5313  -17.3953
            23  C1x C    26.7427  -16.7107
            24  N1y N    26.7554  -15.3192
            25  C1x C    25.5567  -14.6125
            26  C1x C    24.3687  -15.3438
            27  C1b C    27.9644  -14.6139
            28  C1b C    29.1736  -15.3068
            29  C1b C    30.3828  -14.6067
            30  C6a C    31.5920  -15.2999
            31  O6a O    32.8012  -14.5998
            32  O6a O    31.5951  -16.7000
            33  C8x C    24.2756  -20.9202
            34  C8x C    25.4741  -21.6425
            35  C8x C    26.7689  -20.9657
            36  C8x C    26.7256  -19.5451
            37  N5x N    25.5270  -18.8228
BOND        39
            1     6   1 1
            2     6   7 1
            3     7   8 1
            4     1   2 2
            5     7   9 2
            6     2   3 1
            7     7  10 2
            8     3   4 2
            9     4   5 1
            10    5   6 2
            11   11  12 1
            12   11  13 1
            13   11  14 1 #Up
            14   12  15 2
            15   12  16 1
            16   14  17 1
            17   15  18 1
            18   16  19 2
            19   18  20 2
            20   20  21 1
            21   19  20 1
            22   17  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  17 1
            28   24  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   30  32 2
            34   13  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   13  37 1


entry: D01655
name: --- - Adefovir pivoxil (JAN) - Adefovir dipivoxil (USAN) - Hepsera (TN)
formula: C20H32N5O8P
activity: Antiviral
remark: Therapeutic category: 6250
kcf:
ATOM        34
            1   C8y C    28.1819  -18.4473
            2   C8y C    28.1819  -16.9857
            3   N4y N    26.8595  -18.8650
            4   N5x N    29.4347  -19.0737
            5   N5x N    26.8595  -16.5681
            6   C8y C    29.4347  -16.3592
            7   C8x C    26.0243  -17.7513
            8   C8x C    30.6180  -18.4473
            9   N5x N    30.6180  -16.9857
            10  N1a N    29.4347  -14.9672
            11  C1b C    26.8595  -20.2601
            12  C1b C    25.6573  -20.9541
            13  O2a O    24.4425  -20.2526
            14  C1b C    23.2191  -20.9594
            15  P1b P    21.9992  -20.2560
            16  O2b O    20.7908  -19.5584
            17  O2b O    21.3052  -21.4580
            18  O3b O    22.6995  -19.0424
            19  C1b C    19.5901  -20.2513
            20  O7a O    18.3761  -19.5502
            21  C7a C    17.1978  -20.2303
            22  C1d C    16.0021  -19.5396
            23  C1b C    22.0127  -22.6830
            24  O7a O    23.3800  -22.6827
            25  O7a O    17.1975  -21.6298
            26  C1a C    14.7896  -18.8396
            27  C1a C    16.7130  -18.3079
            28  C1a C    15.3134  -20.7327
            29  C7a C    24.0791  -23.8930
            30  C1d C    25.4798  -23.8927
            31  O7a O    23.3894  -25.0878
            32  C1a C    26.8798  -23.8927
            33  C1a C    25.4797  -22.4700
            34  C1a C    25.4799  -25.2700
BOND        35
            1     2   5 1
            2     2   6 1
            3     3   7 1
            4     4   8 2
            5     6   9 2
            6     5   7 2
            7     8   9 1
            8     1   2 2
            9     1   3 1
            10    1   4 1
            11    6  10 1
            12    3  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1
            19   15  18 2
            20   16  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   17  23 1
            25   23  24 1
            26   21  25 2
            27   22  26 1
            28   22  27 1
            29   22  28 1
            30   24  29 1
            31   29  30 1
            32   29  31 2
            33   30  32 1
            34   30  33 1
            35   30  34 1


entry: D01656
name: --- - Brovincamine fumarate (JAN) - Sabromin (TN)
formula: C21H25BrN2O3. C4H4O4
remark: Therapeutic category: 2190
kcf:
ATOM        35
            1   O6a O    27.8467  -14.7982
            2   C6a C    29.0605  -14.0996
            3   C2b C    30.2742  -14.7911
            4   C2b C    31.4810  -14.0925
            5   C6a C    32.6949  -14.7839
            6   O6a O    33.9088  -14.0854
            7   O6a O    32.6878  -16.1884
            8   O6a O    29.0575  -12.6952
            9   C8x C    16.7300  -13.7900
            10  C8y C    16.7300  -15.1900
            11  C8x C    17.9424  -15.8900
            12  C8y C    19.1549  -15.1900
            13  C8y C    19.1549  -13.7900
            14  C8x C    17.9424  -13.0900
            15  N4y N    20.4864  -15.6226
            16  C8y C    21.3093  -14.4900
            17  C8y C    20.4864  -13.3574
            18  C1y C    22.7093  -14.4900
            19  N1y N    23.4093  -13.2776
            20  C1x C    22.7093  -12.0651
            21  C1x C    21.3093  -12.0651
            22  C1z C    21.3093  -16.9149
            23  C1x C    22.7093  -16.9149
            24  C1y C    23.4093  -15.7024
            25  C1y C    24.8093  -15.7024
            26  C1x C    25.5093  -14.4900
            27  C1x C    24.8093  -13.2776
            28  X   Br   15.5176  -15.8900
            29  C7a C    20.6188  -18.1740
            30  C1b C    25.4919  -16.8855
            31  O1a O    19.9093  -16.9149
            32  O7a O    19.2188  -18.1740
            33  O7a O    21.3512  -19.4118
            34  C1a C    22.7500  -19.3967
            35  C1a C    26.8799  -16.8857
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     5   7 2
            7     2   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   12  15 1
            15   15  16 1
            16   16  17 2
            17   13  17 1
            18   16  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  17 1
            23   15  22 1
            24   22  23 1
            25   23  24 1
            26   18  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   19  27 1
            31   10  28 1
            32   22  29 1 #Down
            33   25  30 1 #Down
            34   22  31 1 #Up
            35   29  32 2
            36   29  33 1
            37   33  34 1
            38   30  35 1


entry: D01657
name: --- - Lormetazepam (JAN/USAN) - Loramet (TN)
formula: C16H12Cl2N2O2
activity: Sedative-hypnotic
remark: Therapeutic category: 1124
kcf:
ATOM        22
            1   C8y C    16.7481  -11.4036
            2   C8y C    16.7410  -12.7292
            3   N1y N    18.3130  -10.5015
            4   C8x C    15.6626  -10.6997
            5   C2y C    17.4272  -13.7202
            6   C8x C    15.5797  -13.3631
            7   C5x C    19.7788  -11.3685
            8   C8x C    14.4374  -11.3334
            9   C8y C    17.4215  -15.0693
            10  N2x N    19.1113  -13.7202
            11  C8y C    14.4548  -12.6709
            12  C1y C    19.7788  -12.7234
            13  C8y C    18.5710  -15.7380
            14  C8x C    16.2718  -15.7380
            15  X   Cl   13.2691  -13.2988
            16  C8x C    18.5710  -17.0697
            17  X   Cl   19.7320  -15.0693
            18  C8x C    16.2718  -17.0697
            19  C8x C    17.4215  -17.7325
            20  C1a C    18.3114   -8.7261
            21  O5x O    21.0343  -10.6571
            22  O1a O    21.1559  -13.1456
BOND        24
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     4   8 2
            6     5   9 1
            7     5  10 2
            8     6  11 2
            9     7  12 1
            10    9  13 2
            11    9  14 1
            12   11  15 1
            13   13  16 1
            14   13  17 1
            15   14  18 2
            16   16  19 2
            17    8  11 1
            18   10  12 1
            19   18  19 1
            20    3  20 1
            21    1   2 2
            22    7  21 2
            23    1   3 1
            24   12  22 1


entry: D01658
name: --- - Irsogladine maleate (JAN) - Gaslon N (TN)
formula: C9H7Cl2N5. C4H4O4
remark: Therapeutic category: 2329
kcf:
ATOM        24
            1   C8y C    16.7484  -15.1616
            2   N5x N    17.9612  -15.8547
            3   N5x N    16.7484  -13.7566
            4   N1a N    15.5356  -15.8547
            5   C8y C    19.1738  -15.1616
            6   C8y C    17.9612  -13.0565
            7   N5x N    19.1738  -13.7566
            8   N1a N    20.3866  -15.8547
            9   C8y C    17.9612  -11.6561
            10  C8x C    19.1773  -10.9667
            11  C8y C    19.1773   -9.5663
            12  C8x C    17.9635   -8.8625
            13  C8x C    16.7498   -9.5663
            14  C8y C    16.7498  -10.9667
            15  X   Cl   15.5371  -11.6659
            16  X   Cl   20.3913   -8.8625
            17  C6a C    28.2610  -13.8427
            18  C2b C    27.5750  -12.7134
            19  O6a O    27.5807  -15.0243
            20  O6a O    29.6193  -13.8368
            21  C2b C    25.9444  -12.6725
            22  C6a C    25.2712  -13.8542
            23  O6a O    23.9058  -13.8542
            24  O6a O    25.9561  -15.0301
BOND        24
            1     2   5 2
            2     9  10 2
            3    10  11 1
            4    11  12 2
            5    12  13 1
            6    13  14 2
            7    14   9 1
            8     3   6 1
            9    14  15 1
            10    5   7 1
            11   11  16 1
            12    5   8 1
            13    6   7 2
            14    6   9 1
            15    1   2 1
            16    1   3 2
            17    1   4 1
            18   17  18 1
            19   17  19 1
            20   17  20 2
            21   18  21 2
            22   21  22 1
            23   22  23 1
            24   22  24 2


entry: D01659
name: --- - Syrosingopine (JAN) - Siringina (TN)
formula: C35H42N2O11
remark: Therapeutic category: 2143
kcf:
ATOM        48
            1   C1y C    22.1256  -16.1241
            2   C8y C    20.7404  -16.2655
            3   N1y N    22.7132  -14.8628
            4   C1x C    22.9304  -17.2629
            5   C8y C    19.9368  -15.1327
            6   N4x N    19.9251  -17.3984
            7   C1x C    24.0984  -14.7331
            8   C1x C    21.8967  -13.7299
            9   C1y C    24.3156  -17.1346
            10  C8y C    18.5983  -15.5613
            11  C1x C    20.5056  -13.8642
            12  C8y C    18.5926  -16.9639
            13  C1y C    24.8961  -15.8720
            14  C1y C    25.1075  -18.2662
            15  C8x C    17.3953  -14.8628
            16  C8x C    17.3953  -17.6507
            17  C1x C    26.2755  -15.7551
            18  C1y C    26.4868  -18.1436
            19  C7a C    24.5212  -19.5347
            20  C8x C    16.1863  -15.5613
            21  C8y C    16.1863  -16.9582
            22  C1y C    27.0803  -16.8869
            23  O2a O    27.2916  -19.2824
            24  O7a O    25.3246  -20.6736
            25  O7a O    23.1300  -19.6514
            26  O2a O    14.9776  -17.6566
            27  O7a O    28.4713  -16.7641
            28  C1a C    28.6826  -19.2287
            29  C1a C    24.7384  -21.9349
            30  C1a C    13.7696  -16.9582
            31  C7a C    29.0517  -15.4957
            32  C8y C    30.4429  -15.3789
            33  O7a O    28.2540  -14.3582
            34  C8x C    31.2476  -16.5120
            35  C8x C    31.0362  -14.1117
            36  C8y C    32.6386  -16.3823
            37  C8y C    32.4214  -13.9820
            38  C8y C    33.2191  -15.1210
            39  O2a O    33.4305  -17.5269
            40  O2a O    33.0076  -12.7207
            41  O7a O    34.6102  -14.9971
            42  C1a C    34.8217  -17.4801
            43  C1a C    32.1855  -11.5340
            44  C7a C    35.2228  -13.6964
            45  O7a O    36.6568  -13.5687
            46  C1b C    37.2624  -12.2680
            47  C1a C    38.7035  -12.1403
            48  O7a O    34.3943  -12.5160
BOND        53
            1     5  10 1
            2     5  11 1
            3     6  12 1
            4     7  13 1
            5     9  14 1
            6    10  15 2
            7    12  16 2
            8    13  17 1
            9    14  18 1
            10   14  19 1 #Up
            11   15  20 1
            12   16  21 1
            13   17  22 1
            14   18  23 1 #Down
            15   19  24 1
            16   19  25 2
            17   21  26 1
            18   22  27 1 #Up
            19   23  28 1
            20   24  29 1
            21   26  30 1
            22   27  31 1
            23   31  32 1
            24   31  33 2
            25   32  34 2
            26   32  35 1
            27   34  36 1
            28   35  37 2
            29   36  38 2
            30   36  39 1
            31   37  40 1
            32   38  41 1
            33   39  42 1
            34    8  11 1
            35    9  13 1
            36   10  12 1
            37   18  22 1
            38   20  21 2
            39   37  38 1
            40   40  43 1
            41    1   2 1
            42   41  44 1
            43    1   3 1
            44   44  45 1
            45    1   4 1
            46   45  46 1
            47    2   5 2
            48   46  47 1
            49    2   6 1
            50   44  48 2
            51    3   7 1
            52    3   8 1
            53    4   9 1


entry: D01660
name: --- - Aceglutamide aluminum (JP15/USAN) - Glumal (TN)
formula: (C7H11N2O4)5. Al3O4
activity: Anti-ulcerative
remark: Same as: C13121 Therapeutic category: 2329
kcf:
ATOM        72
            1   Z   Al   24.3789   -7.9985 #3+
            2   O2x O    25.9264   -6.6719 #-
            3   O2x O    25.9264   -9.3135 #-
            4   Z   Al   27.4851   -7.9788 #3+
            5   O2x O    29.0271   -6.6546 #-
            6   O2x O    29.1172   -9.2677 #-
            7   Z   Al   30.5745   -7.9639 #3+
            8   N1a N    11.9000   -7.9800
            9   C5a C    13.1124   -7.2800
            10  C1b C    14.3249   -7.9800
            11  C1b C    15.5373   -7.2800
            12  C1c C    16.7497   -7.9800
            13  O5a O    13.1124   -5.8802
            14  C6a C    16.7497   -9.3799
            15  O6a O    15.5225  -10.0885
            16  O0  O    17.9474  -10.0714 #-
            17  N1b N    17.9622   -7.2800
            18  C5a C    19.1746   -7.9800
            19  C1a C    20.3870   -7.2800
            20  O5a O    19.1746   -9.3800
            21  N1a N    11.9000   -7.9800
            22  C5a C    13.1124   -7.2800
            23  C1b C    14.3249   -7.9800
            24  C1b C    15.5373   -7.2800
            25  C1c C    16.7497   -7.9800
            26  C6a C    16.7497   -9.3799
            27  O6a O    15.5225  -10.0885
            28  O0  O    17.9474  -10.0714 #-
            29  N1b N    17.9622   -7.2800
            30  C5a C    19.1746   -7.9800
            31  C1a C    20.3870   -7.2800
            32  O5a O    19.1746   -9.3800
            33  O5a O    13.1124   -5.8802
            34  N1a N    11.9000   -7.9800
            35  C5a C    13.1124   -7.2800
            36  C1b C    14.3249   -7.9800
            37  C1b C    15.5373   -7.2800
            38  C1c C    16.7497   -7.9800
            39  C6a C    16.7497   -9.3799
            40  O6a O    15.5225  -10.0885
            41  O0  O    17.9474  -10.0714 #-
            42  N1b N    17.9622   -7.2800
            43  C5a C    19.1746   -7.9800
            44  C1a C    20.3870   -7.2800
            45  O5a O    19.1746   -9.3800
            46  O5a O    13.1124   -5.8802
            47  N1a N    11.9000   -7.9800
            48  C5a C    13.1124   -7.2800
            49  C1b C    14.3249   -7.9800
            50  C1b C    15.5373   -7.2800
            51  C1c C    16.7497   -7.9800
            52  C6a C    16.7497   -9.3799
            53  O6a O    15.5225  -10.0885
            54  O0  O    17.9474  -10.0714 #-
            55  N1b N    17.9622   -7.2800
            56  C5a C    19.1746   -7.9800
            57  C1a C    20.3870   -7.2800
            58  O5a O    19.1746   -9.3800
            59  O5a O    13.1124   -5.8802
            60  N1a N    11.9000   -7.9800
            61  C5a C    13.1124   -7.2800
            62  C1b C    14.3249   -7.9800
            63  C1b C    15.5373   -7.2800
            64  C1c C    16.7497   -7.9800
            65  C6a C    16.7497   -9.3799
            66  O6a O    15.5225  -10.0885
            67  O0  O    17.9474  -10.0714 #-
            68  N1b N    17.9622   -7.2800
            69  C5a C    19.1746   -7.9800
            70  C1a C    20.3870   -7.2800
            71  O5a O    19.1746   -9.3800
            72  O5a O    13.1124   -5.8802
BOND        68
            1     2   4 1
            2     4   3 1
            3     4   5 1
            4     4   6 1
            5     5   7 1
            6     7   6 1
            7     1   2 1
            8     1   3 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    9  13 2
            14   12  14 1
            15   14  15 2
            16   14  16 1
            17   17  18 1
            18   18  19 1
            19   18  20 2
            20   12  17 1 #Up
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   22  33 2
            26   25  26 1
            27   26  27 2
            28   26  28 1
            29   29  30 1
            30   30  31 1
            31   30  32 2
            32   25  29 1 #Up
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   37  38 1
            37   35  46 2
            38   38  39 1
            39   39  40 2
            40   39  41 1
            41   42  43 1
            42   43  44 1
            43   43  45 2
            44   38  42 1 #Up
            45   47  48 1
            46   48  49 1
            47   49  50 1
            48   50  51 1
            49   48  59 2
            50   51  52 1
            51   52  53 2
            52   52  54 1
            53   55  56 1
            54   56  57 1
            55   56  58 2
            56   51  55 1 #Up
            57   60  61 1
            58   61  62 1
            59   62  63 1
            60   63  64 1
            61   61  72 2
            62   64  65 1
            63   65  66 2
            64   65  67 1
            65   68  69 1
            66   69  70 1
            67   69  71 2
            68   64  68 1 #Up


entry: D01661
name: --- - Bucolome (JAN) - Paramidin (TN)
formula: C14H22N2O3
remark: Therapeutic category: 1149
kcf:
ATOM        19
            1   C1y C    25.0925  -15.4516
            2   C1b C    26.2954  -14.7478
            3   C5x C    25.0925  -16.8591
            4   C5x C    23.8705  -14.7540
            5   C1b C    27.5048  -15.4450
            6   N1x N    23.8705  -17.5694
            7   O5x O    26.2954  -17.5501
            8   N1y N    22.6675  -15.4516
            9   C1b C    28.7140  -14.7540
            10  C5x C    22.6675  -16.8591
            11  O5x O    21.4583  -17.5501
            12  C1y C    21.4626  -14.7574
            13  C1x C    20.2591  -15.4538
            14  C1a C    29.9170  -15.4558
            15  C1x C    19.0542  -14.7596
            16  C1x C    19.0529  -13.3692
            17  C1x C    20.2565  -12.6728
            18  C1x C    21.4613  -13.3669
            19  O5x O    23.8705  -13.3540
BOND        20
            1     4   8 1
            2     5   9 1
            3     6  10 1
            4    10  11 2
            5     8  10 1
            6     8  12 1
            7    12  18 1
            8     1   2 1
            9    12  13 1
            10    1   3 1
            11    9  14 1
            12    1   4 1
            13   13  15 1
            14    2   5 1
            15   15  16 1
            16    3   6 1
            17   16  17 1
            18    3   7 2
            19   17  18 1
            20    4  19 2


entry: D01662
name: --- - Falecalcitoriol (JAN) - Hornel (TN)
formula: C27H38F6O3
remark: Therapeutic category: 3112
kcf:
ATOM        36
            1   C1x C     9.3800  -11.2000
            2   C1y C     9.3800  -12.6000
            3   C1x C    10.5924  -13.3000
            4   C2y C    11.8049  -12.6000
            5   C2y C    11.8049  -11.2000
            6   C1y C    10.5924  -10.5000
            7   C2b C    13.0173  -13.3000
            8   C2b C    14.2297  -12.6000
            9   C2y C    14.2297  -11.2000
            10  C1x C    13.0173  -10.5000
            11  C1y C    15.4422  -10.5000
            12  C1z C    15.4422   -9.1000
            13  C1x C    14.2297   -8.4000
            14  C1x C    13.0173   -9.1000
            15  C1x C    16.7737  -10.9326
            16  C1x C    17.5966   -9.8000
            17  C1y C    16.7737   -8.6674
            18  C2a C    11.8049   -9.8000
            19  O1a O     8.1676  -13.3000
            20  C1a C    15.4422   -7.7000
            21  C1c C    16.7737   -7.2674
            22  O1a O    10.5924   -9.1002
            23  C1b C    18.0001   -6.5590
            24  C1a C    15.5864   -6.5820
            25  C1b C    19.2140   -7.2595
            26  C1b C    20.3919   -6.5791
            27  C1d C    21.5883   -7.2697
            28  C1d C    23.9649   -6.1643
            29  C1d C    21.5887   -9.0997
            30  X   F    21.5887  -10.4997
            31  X   F    22.9600   -9.0995
            32  X   F    20.1600   -9.0999
            33  X   F    25.1774   -5.4643
            34  X   F    23.2570   -4.9379
            35  X   F    24.6567   -7.3627
            36  O1a O    22.8008   -7.9697
BOND        38
            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 2
            10    9  10 1
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   10  14 1
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20    5  18 2
            21    2  19 1 #Up
            22   12  20 1 #Up
            23   17  21 1 #Up
            24    6  22 1 #Down
            25   21  23 1
            26   21  24 1 #Down
            27   23  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1
            32   29  30 1
            33   29  31 1
            34   29  32 1
            35   28  33 1
            36   28  34 1
            37   28  35 1
            38   27  36 1


entry: D01663
name: --- - Quinine ethylcarbonate (JP15) - Quinine ethylcarbonate (TN)
formula: C23H28N2O4
remark: Therapeutic category: 6415
kcf:
ATOM        29
            1   C8y C    24.4675  -21.4222
            2   C8y C    25.6858  -20.7293
            3   C8y C    24.5316  -22.8212
            4   C8x C    23.2680  -20.7233
            5   C1c C    25.6917  -19.3303
            6   C8x C    26.8982  -21.4281
            7   C8x C    23.2680  -23.5267
            8   N5x N    25.6742  -23.5267
            9   C8y C    22.0495  -21.4222
            10  C1y C    26.9098  -18.6304
            11  O7a O    24.4792  -18.6188
            12  C8x C    26.8924  -22.8326
            13  C8x C    22.0495  -22.8212
            14  O2a O    20.8371  -20.7233
            15  N1y N    28.3438  -17.7556
            16  C1x C    26.1820  -17.5925
            17  C1a C    20.8371  -19.3245
            18  C1x C    28.3438  -16.5269
            19  C1x C    29.8416  -18.5605
            20  C1y C    27.5925  -16.7598
            21  C1y C    27.5984  -15.7686
            22  C1x C    29.1487  -17.4528
            23  C7a C    23.2666  -17.9178
            24  O7a O    23.2675  -16.5174
            25  O7a O    22.0526  -18.6135
            26  C1b C    22.0542  -15.8130
            27  C1a C    22.0551  -14.4127
            28  C2b C    27.0645  -14.4718
            29  C2a C    27.9251  -13.3636
BOND        32
            1     3   8 1
            2     4   9 1
            3     5  10 1
            4     5  11 1 #Up
            5     6  12 1
            6     7  13 1
            7     9  14 1
            8    10  15 1
            9    10  16 1
            10   14  17 1
            11   15  18 1
            12   15  19 1
            13   16  20 1
            14   18  21 1
            15   19  22 1
            16    8  12 2
            17    9  13 2
            18   20  21 1
            19   20  22 1
            20   11  23 1
            21    1   2 1
            22   23  24 1
            23    1   3 1
            24   23  25 2
            25    1   4 2
            26   24  26 1
            27    2   5 1
            28   26  27 1
            29    2   6 2
            30   21  28 1 #Up
            31    3   7 2
            32   28  29 2


entry: D01664
name: --- - Omoconazole nitrate (JAN/USAN)
formula: C20H17Cl3N2O2. HNO3
activity: Antifungal
remark: Therapeutic category: 2655
kcf:
ATOM        31
            1   C8y C    28.7221  -17.7729
            2   C2c C    28.7221  -16.3685
            3   C8y C    27.5051  -18.4751
            4   C8x C    29.9451  -18.4751
            5   O2a O    27.5109  -15.6605
            6   C8x C    27.5051  -19.8795
            7   X   Cl   26.2762  -17.7729
            8   C8x C    29.9451  -19.8795
            9   C1b C    26.2939  -16.3685
            10  C8y C    28.7221  -20.5874
            11  X   Cl   28.7104  -21.9860
            12  C1b C    25.0792  -15.6724
            13  O2a O    23.8691  -16.3765
            14  C8y C    22.6545  -15.6804
            15  C8x C    22.6538  -14.2864
            16  C8x C    21.4391  -13.5905
            17  C8y C    20.2291  -14.2944
            18  C8x C    20.2337  -15.6943
            19  C8x C    21.4483  -16.3904
            20  X   Cl   19.0144  -13.5983
            21  C2c C    29.8316  -15.6954
            22  N4y N    29.8177  -14.2896
            23  C8x C    31.0690  -13.6533
            24  C8x C    28.8299  -13.3083
            25  C8x C    30.8413  -12.2793
            26  N5x N    29.4622  -12.0586
            27  C1a C    31.0466  -16.3908
            28  N2b N    22.7806  -20.7836 #+
            29  O1b O    21.5709  -21.4764
            30  O3a O    22.7512  -19.3353
            31  O0  O    23.9904  -21.4880 #-
BOND        32
            1     1   4 1
            2     2   5 1
            3     3   6 1
            4     3   7 1
            5    14  15 2
            6    15  16 1
            7    16  17 2
            8    17  18 1
            9    18  19 2
            10   19  14 1
            11    4   8 2
            12   17  20 1
            13    5   9 1
            14    2  21 2
            15    6  10 2
            16   10  11 1
            17    8  10 1
            18    9  12 1
            19   21  22 1
            20   22  23 1
            21   22  24 1
            22   23  25 2
            23   24  26 2
            24   25  26 1
            25   21  27 1
            26   12  13 1
            27    1   2 1
            28   13  14 1
            29    1   3 2
            30   28  29 1
            31   28  30 2
            32   28  31 1


entry: D01665
name: --- - Voglibose (JP15/USAN) - Basen (TN)
formula: C10H21NO7
activity: Antidiabetic [alpha-glucosidase inhibitor]
remark: Therapeutic category: 3969
kcf:
ATOM        18
            1   C1y C     8.6100   -9.6600
            2   C1y C     8.6100  -11.0600
            3   C1y C     9.8224  -11.7600
            4   C1y C    11.0349  -11.0600
            5   C1x C    11.0349   -9.6600
            6   C1z C     9.8224   -8.9600
            7   C1b C     9.8224   -7.5602
            8   O1a O     7.3976  -11.7600
            9   O1a O     7.3976   -8.9600
            10  O1a O     9.8224  -13.1598
            11  N1b N    12.2660  -11.7710
            12  O1a O    11.0349   -8.2600
            13  C1c C    13.4712  -11.0753
            14  C1b C    14.6535  -11.7581
            15  C1b C    13.4716   -9.6604
            16  O1a O    14.6605   -8.9741
            17  O1a O    15.8475  -11.0688
            18  O1a O    11.0180   -6.8698
BOND        18
            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     6   7 1 #Up
            8     2   8 1 #Up
            9     1   9 1 #Down
            10    3  10 1 #Down
            11    4  11 1 #Down
            12    6  12 1 #Down
            13   11  13 1
            14   13  14 1
            15   13  15 1
            16   15  16 1
            17   14  17 1
            18    7  18 1


entry: D01667
name: --- - Delapril hydrochloride (JAN/USAN) - Adecut (TN)
formula: C26H32N2O5. HCl
activity: Antihypertensive; Enzyme inhibitor [angiotensin-converting]
remark: Therapeutic category: 2144
kcf:
ATOM        34
            1   X   Cl   37.4559  -15.8761
            2   N1c N    29.8858  -15.6358
            3   C1b C    29.8899  -14.2361
            4   N1b N    26.2614  -16.3406
            5   C1c C    25.0505  -15.6446
            6   C7a C    25.0445  -14.2407
            7   C1b C    23.8336  -16.3523
            8   O7a O    26.2614  -13.5387
            9   O7a O    23.8220  -13.5445
            10  C1b C    22.6171  -15.6621
            11  C8y C    21.4062  -16.3523
            12  C8x C    21.4062  -17.7680
            13  C8x C    20.2012  -15.6621
            14  C8x C    20.2012  -18.4757
            15  C8x C    18.9786  -16.3523
            16  C8x C    18.9786  -17.7680
            17  C1c C    27.4684  -15.6358
            18  C5a C    28.6771  -16.3355
            19  O5a O    28.6771  -17.7350
            20  C1a C    27.4657  -14.2363
            21  C6a C    31.1037  -13.5399
            22  O6a O    31.1078  -12.1403
            23  O6a O    32.3138  -14.2432
            24  C1y C    31.1192  -16.2173
            25  C8y C    33.3868  -16.2300
            26  C8y C    33.0052  -17.5552
            27  C8x C    33.8561  -18.6094
            28  C8x C    35.2298  -18.3384
            29  C8x C    35.6820  -17.0132
            30  C8x C    34.7605  -15.9591
            31  C1x C    31.6142  -17.5483
            32  C1x C    32.2662  -15.3947
            33  C1b C    22.6129  -14.2522
            34  C1a C    21.4062  -13.5652
BOND        35
            1    11  13 2
            2    12  14 2
            3    13  15 1
            4    14  16 1
            5    15  16 2
            6     4  17 1
            7    17  18 1
            8    18   2 1
            9    18  19 2
            10   17  20 1 #Up
            11    2   3 1
            12    3  21 1
            13   21  22 2
            14    4   5 1
            15   21  23 1
            16    5   6 1 #Up
            17    2  24 1
            18    5   7 1
            19    6   8 2
            20    6   9 1
            21    7  10 1
            22   10  11 1
            23   25  26 2
            24   26  27 1
            25   27  28 2
            26   28  29 1
            27   29  30 2
            28   30  25 1
            29   11  12 1
            30   24  31 1
            31   31  26 1
            32   25  32 1
            33   32  24 1
            34    9  33 1
            35   33  34 1


entry: D01668
name: --- - Sultamicillin tosilate (JP15) - Sultamicillin tosylate dihydrate - Unasyn (TN)
formula: C25H30N4O9S2. C7H8O3S. 2H2O
remark: Therapeutic category: 6131
comment: Component of Unasyn (TN)
kcf:
ATOM        53
            1   C8y C    37.7829  -15.0897
            2   C8x C    36.6161  -15.7761
            3   C8x C    39.0183  -15.7761
            4   S4a S    37.7829  -13.7171
            5   C8x C    36.6161  -17.1487
            6   C8x C    39.0183  -17.1487
            7   O3c O    36.4102  -13.7171
            8   O3c O    39.1556  -13.7171
            9   O1d O    37.7829  -12.4130
            10  C8y C    37.7829  -17.8351
            11  C1a C    37.7829  -19.2077
            12  O0  O    35.3203  -18.8646
            13  C1x C    34.1535  -14.9525
            14  C5x C    34.1535  -16.3938
            15  N1y N    32.7809  -16.3938
            16  C1y C    32.7809  -14.9525
            17  C1y C    31.4769  -16.8056
            18  C1z C    30.6533  -15.6388
            19  S2x S    31.4769  -14.5407
            20  C1a C    29.6924  -16.6683
            21  C7a C    30.9964  -18.1096
            22  O7a O    29.6238  -18.1096
            23  O7a O    31.8200  -19.2077
            24  O3c O    31.8200  -13.2366
            25  O3c O    30.5160  -13.5798
            26  C1a C    29.6009  -14.7574
            27  C1y C    21.7996  -14.9525
            28  C5x C    21.7996  -16.3251
            29  N1y N    23.1722  -16.3251
            30  C1y C    23.1722  -14.9525
            31  C1y C    24.4763  -16.7369
            32  C1z C    25.2999  -15.6388
            33  S2x S    24.4763  -14.5407
            34  C1a C    26.2607  -16.5997
            35  C1a C    26.2607  -14.6779
            36  C7a C    24.9567  -18.1096
            37  O7a O    26.3294  -18.1096
            38  O7a O    24.1331  -19.2077
            39  N1b N    20.6328  -14.2661
            40  C5a C    19.4660  -14.9525
            41  O5x O    20.6328  -17.0801
            42  O5a O    19.4660  -16.3251
            43  C1c C    18.2307  -14.2661
            44  C8y C    17.0639  -14.9525
            45  N1a N    18.2307  -12.8935
            46  C8x C    15.8971  -14.2661
            47  C8x C    14.6617  -14.9525
            48  C8x C    14.6617  -16.3251
            49  C8x C    15.8971  -17.0115
            50  C8x C    17.0639  -16.3251
            51  C1b C    27.9079  -19.2983
            52  O5x O    35.3660  -17.0938
            53  O0  O    35.3203  -18.8646
BOND        55
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 2
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10   10  11 1
            11    6  10 2
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   13  16 1
            16   15  17 1
            17   17  18 1
            18   18  19 1
            19   16  19 1
            20   18  20 1
            21   17  21 1 #Up
            22   21  22 1
            23   21  23 2
            24   19  24 2
            25   19  25 2
            26   18  26 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   27  30 1
            31   29  31 1
            32   31  32 1
            33   32  33 1
            34   30  33 1
            35   32  34 1
            36   32  35 1
            37   31  36 1 #Down
            38   36  37 1
            39   36  38 2
            40   27  39 1 #Up
            41   39  40 1
            42   28  41 2
            43   40  42 2
            44   40  43 1
            45   43  44 1
            46   43  45 1 #Up
            47   44  46 2
            48   46  47 1
            49   47  48 2
            50   48  49 1
            51   49  50 2
            52   44  50 1
            53   37  51 1
            54   22  51 1
            55   14  52 2


entry: D01669
name: --- - Tazanolast (JAN) - Tazanol (TN)
formula: C13H15N5O3
remark: Therapeutic category: 4490
comment: mediator release inhibitor
kcf:
ATOM        21
            1   C1a C    32.3269  -18.5647
            2   C1b C    31.1169  -19.2653
            3   C1b C    29.9068  -18.5647
            4   C1b C    28.6967  -19.2653
            5   O7a O    27.4867  -18.5647
            6   C7a C    26.2766  -19.2653
            7   C5a C    25.0665  -18.5647
            8   N1b N    23.8565  -19.2653
            9   C8y C    22.6421  -18.5661
            10  C8x C    21.4333  -19.2714
            11  C8x C    20.2189  -18.5722
            12  C8x C    20.2172  -17.1711
            13  C8y C    21.4299  -16.4691
            14  C8x C    22.6442  -17.1682
            15  C8y C    21.4282  -15.0680
            16  N4x N    20.2952  -14.2460
            17  N5x N    20.7266  -12.9128
            18  N5x N    22.1277  -12.9113
            19  N5x N    22.5623  -14.2433
            20  O7a O    26.2766  -20.6664
            21  O5a O    25.0665  -17.1636
BOND        22
            1     1   2 1
            2     6   7 1
            3     9  10 2
            4    10  11 1
            5    11  12 2
            6    12  13 1
            7    13  14 2
            8    14   9 1
            9     3   4 1
            10   13  15 1
            11    7   8 1
            12    8   9 1
            13    4   5 1
            14   15  16 1
            15   16  17 1
            16   17  18 2
            17   18  19 1
            18   19  15 2
            19    2   3 1
            20    6  20 2
            21    5   6 1
            22    7  21 2


entry: D01670
name: --- - Nafamostat mesilate (JAN) - Nafamostat mesylate (USAN) - Ronastat (TN)
formula: C19H19N5O2. (CH3SO3)2
activity: Anticoagulant; Antifibrinolytic
remark: Therapeutic category: 3999
kcf:
ATOM        36
            1   C8y C    28.8103  -16.6148
            2   C8x C    30.0203  -15.9142
            3   C8x C    31.2320  -16.6119
            4   C8y C    31.2337  -18.0100
            5   C8x C    30.0237  -18.7106
            6   C8y C    28.8120  -18.0129
            7   C7a C    23.9656  -16.6139
            8   O7a O    25.1783  -15.9124
            9   C8y C    26.3922  -16.6120
            10  C8x C    27.6016  -15.9103
            11  C8x C    27.6036  -18.7124
            12  C8x C    26.3897  -18.0127
            13  O7a O    23.9667  -18.0150
            14  C2c C    32.4479  -18.7090
            15  N2a N    33.6603  -18.0071
            16  N1a N    32.4496  -20.1100 #+
            17  C8y C    22.7517  -15.9142
            18  C8x C    20.3264  -15.9142
            19  C8y C    20.3264  -14.5132
            20  C8x C    21.5427  -13.8127
            21  C8x C    22.7517  -14.5132
            22  C8x C    21.5427  -16.6148
            23  N1b N    19.1134  -13.8120
            24  C2c C    17.8998  -14.5120
            25  N2a N    16.6868  -13.8108
            26  N1a N    17.8990  -15.9130 #+
            27  S4a S    17.7763  -19.7063
            28  C1a C    16.3809  -19.7355
            29  O0  O    19.1720  -19.7705 #-
            30  O3c O    17.7763  -18.2992
            31  O3c O    17.7706  -21.1077
            32  S4a S    17.7763  -19.7063
            33  C1a C    16.3809  -19.7355
            34  O0  O    19.1720  -19.7705 #-
            35  O3c O    17.7763  -18.2992
            36  O3c O    17.7706  -21.1077
BOND        36
            1     7  17 1
            2     7   8 1
            3     8   9 1
            4     1   2 2
            5     2   3 1
            6    18  19 2
            7    19  20 1
            8    20  21 2
            9    21  17 1
            10   17  22 2
            11   22  18 1
            12    3   4 2
            13   19  23 1
            14    9  10 2
            15   23  24 1
            16   10   1 1
            17   24  25 2
            18    6  11 1
            19   24  26 1
            20   11  12 2
            21   12   9 1
            22    4   5 1
            23    7  13 2
            24    5   6 2
            25    4  14 1
            26    6   1 1
            27   14  15 2
            28   14  16 1
            29   27  28 1
            30   27  29 1
            31   27  30 2
            32   27  31 2
            33   32  33 1
            34   32  34 1
            35   32  35 2
            36   32  36 2


entry: D01671
name: --- - Eperisone hydrochloride (JP15) - Epenard (TN)
formula: C17H25NO. HCl
remark: Therapeutic category: 1249
kcf:
ATOM        20
            1   C8y C    24.9286  -16.8166
            2   C8x C    24.9286  -15.4145
            3   C8x C    26.1459  -14.7134
            4   C8y C    27.3559  -15.4145
            5   C8x C    27.3559  -16.8166
            6   C8x C    26.1459  -17.5177
            7   C5a C    28.5614  -14.7205
            8   C1c C    29.7724  -15.4216
            9   C1b C    30.9833  -14.7275
            10  N1y N    32.1942  -15.4286
            11  C1x C    33.4069  -14.7304
            12  C1x C    34.6178  -15.4314
            13  C1x C    34.6161  -16.8307
            14  C1x C    33.4035  -17.5289
            15  C1x C    32.1925  -16.8278
            16  C1a C    29.7693  -16.8237
            17  O5a O    28.5631  -13.3184
            18  C1b C    23.7146  -17.5183
            19  C1a C    22.5000  -16.8178
            20  X   Cl   37.7319  -16.1580
BOND        20
            1     2   3 1
            2     9  10 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   1 1
            7    10  11 1
            8    11  12 1
            9    12  13 1
            10   13  14 1
            11   14  15 1
            12   15  10 1
            13    4   7 1
            14    8  16 1
            15    7  17 2
            16    7   8 1
            17    1  18 1
            18    1   2 2
            19   18  19 1
            20    8   9 1


entry: D01672
name: --- - Gabexate mesilate (JP15) - Gabexate mesylate - Arodate (TN)
formula: C16H23N3O4. CH4SO3
remark: Therapeutic category: 3999
kcf:
ATOM        28
            1   C8y C    26.0098  -16.3177
            2   O7a O    27.2208  -17.0188
            3   C7a C    28.4319  -16.3177
            4   C1b C    29.6429  -17.0188
            5   C1b C    30.8540  -16.3177
            6   C1b C    32.0650  -17.0188
            7   C1b C    33.2761  -16.3177
            8   C1b C    34.4871  -17.0188
            9   N1b N    35.6982  -16.3177
            10  C2c C    36.9092  -17.0188
            11  N1a N    38.1203  -16.3177
            12  N2a N    36.9092  -18.4211
            13  O7a O    28.4319  -14.9154
            14  C8x C    26.0115  -14.9183
            15  C8x C    24.8004  -14.2172
            16  C8y C    23.5877  -14.9154
            17  C8x C    23.5860  -16.3148
            18  C8x C    24.7970  -17.0159
            19  C7a C    22.3766  -14.2071
            20  O7a O    21.1656  -14.9013
            21  C1b C    19.9545  -14.2002
            22  C1a C    18.7435  -14.8942
            23  O7a O    22.3827  -12.8049
            24  S4a S    20.3771  -18.1493
            25  O3c O    20.3842  -16.7470
            26  O3c O    20.3842  -19.5516
            27  C1a C    18.9748  -18.1493
            28  O1d O    21.7794  -18.1493
BOND        27
            1     6   7 1
            2     7   8 1
            3     3   4 1
            4     1  14 2
            5    14  15 1
            6    15  16 2
            7    16  17 1
            8    17  18 2
            9    18   1 1
            10    8   9 1
            11   16  19 1
            12    1   2 1
            13   19  20 1
            14    9  10 1
            15   20  21 1
            16    4   5 1
            17   21  22 1
            18   10  11 1
            19   19  23 2
            20   10  12 2
            21    5   6 1
            22    3  13 2
            23    2   3 1
            24   24  25 2
            25   24  26 2
            26   24  27 1
            27   24  28 1


entry: D01673
name: --- - Bamethan sulfate (JP15/USAN)
formula: (C12H20NO2)2. SO4
activity: Vasodilator
remark: Therapeutic category: 2172
kcf:
ATOM        35
            1   C8y C    16.6021  -17.2884
            2   C8x C    16.6021  -18.6901
            3   C8x C    15.3852  -19.3910
            4   C8y C    14.1755  -18.6901
            5   C8x C    14.1755  -17.2884
            6   C8x C    15.3852  -16.5875
            7   O1a O    12.9612  -19.3901
            8   C1c C    17.8127  -16.5875
            9   C1b C    19.0233  -17.2814
            10  N1b N    20.2339  -16.5805 #+
            11  C1b C    21.4445  -17.2743
            12  C1b C    22.6551  -16.5734
            13  C1b C    23.8657  -17.2671
            14  C1a C    25.0763  -16.5663
            15  O1a O    17.8097  -15.1858
            16  S4a S    31.0946  -17.6990
            17  O3c O    31.0874  -16.2973
            18  O3c O    31.0874  -19.1008
            19  O0  O    32.4963  -17.6990 #-
            20  O0  O    29.6928  -17.6990 #-
            21  C8y C    16.6021  -17.2884
            22  C1c C    17.8127  -16.5875
            23  C1b C    19.0233  -17.2814
            24  N1b N    20.2339  -16.5805 #+
            25  C1b C    21.4445  -17.2743
            26  C1b C    22.6551  -16.5734
            27  C1b C    23.8657  -17.2671
            28  C1a C    25.0763  -16.5663
            29  O1a O    17.8097  -15.1858
            30  C8x C    16.6021  -18.6901
            31  C8x C    15.3852  -19.3910
            32  C8y C    14.1755  -18.6901
            33  C8x C    14.1755  -17.2884
            34  C8x C    15.3852  -16.5875
            35  O1a O    12.9612  -19.3901
BOND        34
            1    16  17 2
            2    16  18 2
            3    16  19 1
            4    16  20 1
            5     1   8 1
            6     8   9 1
            7     1   2 2
            8     9  10 1
            9     2   3 1
            10   10  11 1
            11    3   4 2
            12   11  12 1
            13    4   5 1
            14   12  13 1
            15    5   6 2
            16   13  14 1
            17    6   1 1
            18    8  15 1
            19    4   7 1
            20   21  22 1
            21   22  23 1
            22   21  30 2
            23   23  24 1
            24   30  31 1
            25   24  25 1
            26   31  32 2
            27   25  26 1
            28   32  33 1
            29   26  27 1
            30   33  34 2
            31   27  28 1
            32   34  21 1
            33   22  29 1
            34   32  35 1


entry: D01674
name: --- - Naftopidil (JAN) - Flivas (TN)
formula: C24H28N2O3
remark: Therapeutic category: 2590
kcf:
ATOM        29
            1   N1y N    20.8567  -17.7071
            2   C1x C    20.8567  -16.3024
            3   C1x C    22.0762  -15.6000
            4   N1y N    23.2885  -16.3024
            5   C1x C    23.2885  -17.7071
            6   C1x C    22.0762  -18.4095
            7   C1b C    24.4963  -15.6072
            8   C1c C    25.7094  -16.3096
            9   C1b C    26.9226  -15.6142
            10  O2a O    28.1358  -16.3165
            11  C8y C    29.3490  -15.6213
            12  O1a O    25.7064  -17.7143
            13  C8x C    29.3534  -14.2231
            14  C8x C    30.5666  -13.5279
            15  C8x C    31.7753  -14.2307
            16  C8y C    30.5575  -16.3244
            17  C8y C    31.7632  -15.6300
            18  C8x C    32.9674  -16.3271
            19  C8x C    32.9657  -17.7184
            20  C8x C    31.7601  -18.4126
            21  C8x C    30.5560  -17.7157
            22  C8y C    19.6405  -18.4102
            23  C8x C    19.6458  -19.8078
            24  C8x C    18.4295  -20.5108
            25  C8x C    17.2126  -19.8090
            26  C8x C    17.2119  -18.4042
            27  C8y C    18.4282  -17.7014
            28  O2a O    18.4316  -16.2966
            29  C1a C    17.2108  -15.5876
BOND        32
            1    13  14 1
            2    14  15 2
            3    15  17 1
            4    16  11 1
            5     1   2 1
            6     7   8 1
            7     2   3 1
            8     8   9 1
            9     3   4 1
            10    9  10 1
            11   16  17 1
            12   17  18 2
            13   18  19 1
            14   19  20 2
            15   20  21 1
            16   21  16 2
            17    4   5 1
            18    1  22 1
            19   10  11 1
            20    5   6 1
            21    8  12 1
            22    6   1 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   27  22 1
            29    4   7 1
            30   27  28 1
            31   11  13 2
            32   28  29 1


entry: D01675
name: --- - Felbinac (JAN/USAN) - Felbinac (TN) - Dolinac (TN)
formula: C14H12O2
activity: Anti-inflammatory
remark: Therapeutic category: 2649
kcf:
ATOM        16
            1   C8x C    21.6223  -18.1378
            2   C8y C    21.6223  -19.5386
            3   C8x C    22.8383  -20.2390
            4   C8x C    24.0473  -19.5386
            5   C8y C    24.0473  -18.1378
            6   C8x C    22.8383  -17.4374
            7   C8y C    25.2608  -17.4383
            8   C8x C    26.4714  -18.1412
            9   C8x C    27.6851  -17.4417
            10  C8x C    27.6861  -16.0409
            11  C8x C    26.4734  -15.3396
            12  C8x C    25.2597  -16.0392
            13  C1b C    20.4125  -20.2390
            14  C6a C    19.2027  -19.5386
            15  O6a O    17.9930  -20.2390
            16  O6a O    19.2027  -18.1378
BOND        17
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10   12   7 1
            11    6   1 1
            12    2  13 1
            13   13  14 1
            14    5   7 1
            15   14  15 1
            16    1   2 2
            17   14  16 2


entry: D01676
name: --- - Acetomenaphtone (JAN)
formula: C15H14O4
kcf:
ATOM        19
            1   C8y C    25.1945  -16.7761
            2   C8y C    26.4028  -16.0760
            3   C8x C    26.4028  -14.6759
            4   C8y C    25.1945  -13.9758
            5   C8y C    23.9790  -16.0760
            6   C8y C    23.9790  -14.6759
            7   C8x C    22.7664  -13.9758
            8   C8x C    21.5538  -14.6759
            9   C8x C    21.5538  -16.0760
            10  C8x C    22.7664  -16.7761
            11  O7a O    25.1962  -12.5757
            12  C7a C    26.4096  -11.8772
            13  O7a O    26.4113  -10.4771
            14  C1a C    27.6212  -12.5788
            15  C1a C    27.6157  -16.7752
            16  O7a O    25.1962  -18.1762
            17  C7a C    26.4096  -18.8747
            18  O7a O    26.4113  -20.2748
            19  C1a C    27.6212  -18.1731
BOND        20
            1     8   9 2
            2     9  10 1
            3    10   5 2
            4     4  11 1
            5     5   1 1
            6    11  12 1
            7     1   2 2
            8    12  13 2
            9     2   3 1
            10   12  14 1
            11    3   4 2
            12    2  15 1
            13    4   6 1
            14    1  16 1
            15    5   6 1
            16   16  17 1
            17    6   7 2
            18   17  18 2
            19    7   8 1
            20   17  19 1


entry: D01678
name: --- - Thioinosine (JAN)
formula: C10H12N4O4S
remark: Therapeutic category: 4223
kcf:
ATOM        19
            1   C8y C    29.1421  -17.2715
            2   N5x N    29.5056  -18.6328
            3   C1y C    22.4494  -18.9749
            4   C1y C    22.0787  -17.6064
            5   C1b C    20.7082  -17.2431
            6   O1a O    19.7085  -18.2484
            7   O1a O    21.4496  -19.9801
            8   C1y C    23.8639  -18.9759
            9   C1y C    24.3032  -17.5633
            10  O2x O    23.1583  -16.8020
            11  C8y C    26.7900  -17.9058
            12  N5x N    27.1535  -19.2671
            13  C8x C    28.5141  -19.6330
            14  C8y C    27.7871  -16.9104
            15  C8x C    25.9840  -15.7121
            16  N4y N    25.6159  -17.1371
            17  N5x N    27.3863  -15.7135
            18  O1a O    24.5591  -20.1937
            19  S1a S    30.1397  -16.2734
BOND        21
            1     3   4 1
            2    11  12 1
            3    12  13 2
            4    13   2 1
            5     1  14 1
            6    14  11 2
            7     4   5 1 #Up
            8     5   6 1
            9    15  16 1
            10   16  11 1
            11   14  17 1
            12   17  15 2
            13    9  16 1 #Up
            14    3   7 1 #Down
            15    8  18 1 #Down
            16    1   2 2
            17    8   9 1
            18    9  10 1
            19   10   4 1
            20    3   8 1
            21    1  19 1


entry: D01679
name: --- - Calcium oxide (JP15) - Lime (USP)
formula: CaO
activity: Pharmaceutic necessity
remark: Same as: C13140 Therapeutic category: 7390
kcf:
ATOM        2
            1   Z   Ca   24.9759  -19.0358
            2   O0  O    26.9359  -19.0358
BOND        1
            1     1   2 2


entry: D01680
name: --- - Cefcapene pivoxil hydrochloride hydrate (JP15) - Flomox (TN) - CFPN-PI - S 1108
formula: C23H29N5O8S2. HCl. H2O
remark: Therapeutic category: 6132
comment: semisynthetic cephalosporin: broad spectrum cephalosporin
kcf:
ATOM        40
            1   C1y C    27.7809  -14.5029
            2   N1y N    27.7809  -15.8917
            3   C2y C    28.9838  -16.5859
            4   C2y C    30.1865  -15.8917
            5   C1x C    30.1865  -14.5029
            6   S2x S    28.9838  -13.8085
            7   C1y C    26.3921  -14.5029
            8   C5x C    26.3921  -15.8917
            9   N1b N    25.1895  -13.8085
            10  C5a C    23.9866  -14.5029
            11  O5a O    23.9866  -15.8917
            12  O5x O    25.1895  -16.5859
            13  C2c C    22.7838  -13.8085
            14  C1b C    31.4077  -16.5970
            15  C8y C    21.5617  -14.5145
            16  O7a O    32.6154  -15.9001
            17  C7a C    33.8178  -16.5946
            18  C8x C    20.4157  -13.7076
            19  S2x S    19.2896  -14.5483
            20  C8y C    19.7411  -15.8790
            21  N5x N    21.1463  -15.8610
            22  N1a N    35.0570  -15.8793
            23  O7a O    33.8180  -17.9700
            24  C7a C    28.9837  -18.3188
            25  O7a O    27.7713  -19.0187
            26  O7a O    30.1841  -19.0117
            27  C1b C    26.5788  -18.3300
            28  O7a O    25.3987  -19.0111
            29  C7a C    24.2128  -18.3262
            30  C1d C    23.0295  -19.0092
            31  O7a O    24.2128  -16.9260
            32  C1a C    21.8231  -19.7058
            33  C1a C    22.3423  -17.8184
            34  C1a C    23.7348  -20.2313
            35  C2b C    22.7837  -12.3982
            36  C1b C    21.5720  -11.6987
            37  N1a N    18.9079  -17.0169
            38  C1a C    20.3586  -12.3993
            39  X   Cl   32.3191  -19.4331
            40  O0  O    35.3141  -19.3635
BOND        40
            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   17  22 1
            25   17  23 2
            26    3  24 1
            27   24  25 1
            28   24  26 2
            29   25  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   29  31 2
            34   30  32 1
            35   30  33 1
            36   30  34 1
            37   13  35 2
            38   35  36 1
            39   20  37 1
            40   36  38 1


entry: D01681
name: --- - Cefovecin sodium (JAN/USAN)
formula: C17H18N5O6S2. Na
activity: Antibacterial [intended for veterinary use]
remark: Same as: C13142 Therapeutic category: 6132
kcf:
ATOM        31
            1   Z   Na   29.2058  -20.6429 #+
            2   C1y C    30.5521  -17.3430
            3   C1x C    30.9691  -18.6779
            4   C1x C    32.3690  -18.6935
            5   C1x C    32.8165  -17.3670
            6   O2x O    31.6931  -16.5315
            7   C1y C    26.9660  -15.2532
            8   N1y N    26.9660  -16.6530
            9   C2y C    28.1560  -17.3530
            10  C2y C    29.3459  -16.6530
            11  C1x C    29.3459  -15.2532
            12  S2x S    28.1560  -14.5532
            13  C1y C    25.5662  -15.2532
            14  C5x C    25.5662  -16.6530
            15  N1b N    24.3062  -14.5532
            16  C5a C    23.1163  -15.2532
            17  O5a O    23.1163  -16.6530
            18  O5x O    24.3062  -17.3530
            19  C2c C    21.9263  -14.5532
            20  C8y C    20.6664  -15.2532
            21  C8x C    19.6165  -14.4131
            22  S2x S    18.4266  -15.1831
            23  C8y C    18.8466  -16.5831
            24  N5x N    20.2464  -16.5831
            25  N2b N    21.9263  -13.1532
            26  O2a O    20.7364  -12.4533
            27  C1a C    19.5465  -13.0832
            28  C6a C    28.1560  -18.7529
            29  O0  O    29.3459  -19.4529 #-
            30  O6a O    26.8961  -19.4529
            31  N1a N    18.0066  -17.7029
BOND        33
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   6 1
            6     7   8 1
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10   11  12 1
            11    7  12 1
            12    7  13 1
            13   13  14 1
            14    8  14 1
            15   13  15 1 #Up
            16   15  16 1
            17   16  17 2
            18   14  18 2
            19   16  19 1
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 1
            24   23  24 2
            25   20  24 1
            26   19  25 2
            27   25  26 1
            28   26  27 1
            29    9  28 1
            30   28  29 1
            31   28  30 2
            32   23  31 1
            33    2  10 1 #Up


entry: D01682
name: --- - Ceftiofur sodium (JAN/USAN) - Ceftiofur sodium (TN)
formula: C19H16N5O7S3. Na
activity: Antibacterial [veterinary]
remark: Same as: C13143
kcf:
ATOM        35
            1   C1y C    26.9142  -15.2425
            2   N1y N    26.9142  -16.6346
            3   C2y C    28.1200  -17.3306
            4   C2y C    29.3256  -16.6346
            5   C1x C    29.3256  -15.2425
            6   S2x S    28.1200  -14.5464
            7   C1y C    25.5219  -15.2425
            8   C5x C    25.5219  -16.6346
            9   N1b N    24.3165  -14.5464
            10  C5a C    23.1107  -15.2425
            11  O5a O    23.1107  -16.6346
            12  O5x O    24.3165  -17.3306
            13  C2c C    21.9050  -14.5464
            14  C1b C    30.5498  -17.3418
            15  C8y C    20.6801  -15.2540
            16  C8x C    19.5472  -14.4218
            17  S2x S    18.4009  -15.2406
            18  C8y C    18.8254  -16.6537
            19  N5x N    20.2339  -16.6652
            20  N2b N    21.9049  -13.1328
            21  O2a O    20.6904  -12.4317
            22  C6a C    28.1200  -18.7395
            23  O0  O    29.3363  -19.4417 #-
            24  O6a O    26.9053  -19.4409
            25  S2a S    31.7237  -16.6648
            26  C5a C    32.9269  -17.3602
            27  C8y C    34.1121  -16.6768
            28  C8x C    34.1121  -15.2759
            29  O2x O    35.4443  -17.1097
            30  C8x C    36.2677  -15.9763
            31  C8x C    35.4443  -14.8431
            32  N1a N    18.0200  -17.7844
            33  C1a C    19.4895  -13.1255
            34  O5a O    32.9266  -18.7452
            35  Z   Na   30.8000  -19.3900 #+
BOND        37
            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    3  22 1
            25   22  23 1
            26   22  24 2
            27   14  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   27  29 1
            32   29  30 1
            33   30  31 2
            34   28  31 1
            35   18  32 1
            36   21  33 1
            37   26  34 2


entry: D01683
name: --- - Ozagrel hydrochloride (JAN) - Ozagrel (TN)
formula: C13H12N2O2. HCl. H2O
remark: Therapeutic category: 4490
kcf:
ATOM        19
            1   N4y N    24.8993  -15.9855
            2   C8x C    25.3377  -17.3182
            3   C8x C    26.0391  -15.1496
            4   C1b C    23.6718  -15.2958
            5   N5x N    26.7405  -17.3182
            6   C8x C    27.1789  -15.9855
            7   C8y C    22.4677  -16.0206
            8   C8x C    22.4911  -17.4291
            9   C8x C    21.2343  -15.3366
            10  C8x C    21.2811  -18.1482
            11  C8x C    20.0771  -16.0614
            12  C8y C    20.1122  -17.4643
            13  C2b C    18.9022  -18.1831
            14  C2b C    17.6826  -17.4992
            15  C6a C    16.4802  -18.2135
            16  O6a O    15.2604  -17.5294
            17  O6a O    16.4278  -19.6118
            18  X   Cl   29.7155  -16.9975
            19  O0  O    33.1850  -16.9854
BOND        18
            1     2   5 2
            2     3   6 2
            3     4   7 1
            4     7   8 2
            5     7   9 1
            6     8  10 1
            7     9  11 2
            8    10  12 2
            9    12  13 1
            10    5   6 1
            11   11  12 1
            12   13  14 2
            13   14  15 1
            14    1   2 1
            15   15  16 1
            16    1   3 1
            17   15  17 2
            18    1   4 1


entry: D01684
name: --- - Ozagrel sodium (JAN) - Ozapen (TN)
formula: C13H11N2O2. Na
remark: Therapeutic category: 3999
kcf:
ATOM        18
            1   N4y N    27.0331  -14.7865
            2   C8x C    27.4703  -16.1159
            3   C8x C    28.1700  -13.9527
            4   C1b C    25.8087  -14.0985
            5   N5x N    28.8697  -16.1159
            6   C8x C    29.3070  -14.7865
            7   C8y C    24.6075  -14.8216
            8   C8x C    24.6308  -16.2266
            9   C8x C    23.3772  -14.1393
            10  C8x C    23.4238  -16.9439
            11  C8x C    22.2229  -14.8155
            12  C8y C    22.2112  -16.2617
            13  C2b C    21.0042  -16.9788
            14  C2b C    19.7876  -16.2963
            15  C6a C    18.5882  -17.0089
            16  O0  O    17.3715  -16.3266 #-
            17  O6a O    18.6057  -18.4039
            18  Z   Na   14.9549  -16.2803 #+
BOND        18
            1     2   5 2
            2     3   6 2
            3     4   7 1
            4     7   8 2
            5     7   9 1
            6     8  10 1
            7     9  11 2
            8    10  12 2
            9    12  13 1
            10    5   6 1
            11   11  12 1
            12   13  14 2
            13   14  15 1
            14    1   2 1
            15   15  16 1
            16    1   3 1
            17   15  17 2
            18    1   4 1


entry: D01685
name: --- - Cetrorelix acetate (JAN/USAN) - Cetrotide (TN)
formula: C70H92ClN17O14. (C2H4O2)x
remark: Therapeutic category: 2413
activity:
Prevention of premature LH surges in patients undergoing controlled ovarian stimulation; Antineoplastic [LHRH antagonist]

kcf:
ATOM        106
            1   C8x C     2.1642  -17.4184
            2   C8x C     2.1642  -18.8193
            3   C8x C     3.3814  -19.5163
            4   C8x C     3.3814  -16.7143
            5   C8y C     4.5916  -17.4184
            6   C8y C     4.5856  -18.8193
            7   C8x C     5.7899  -19.5214
            8   C8x C     7.0070  -18.8296
            9   C8y C     7.0129  -17.4287
            10  C8x C     5.8017  -16.7195
            11  C1b C     8.2190  -16.7214
            12  C1c C     9.4300  -17.4184
            13  C5a C    10.6408  -16.7143
            14  N1b N    11.8518  -17.4113
            15  C1c C    13.0628  -16.7072
            16  C5a C    14.2667  -17.4044
            17  N1b N    15.4775  -16.7003
            18  C1c C    16.6885  -17.3973
            19  C5a C    17.8995  -16.6932
            20  N1b N    19.1104  -17.3902
            21  C1c C    20.3213  -16.6861
            22  C5a C    21.5323  -17.3832
            23  N1b N    22.7432  -16.6791
            24  C1c C    23.9471  -17.3761
            25  N1b N     9.4330  -19.2393
            26  O5a O    10.6378  -15.3132
            27  C1b C    13.0598  -15.0961
            28  C8y C    14.2653  -14.3966
            29  C8x C    15.4736  -15.0939
            30  C8x C    16.6865  -14.3944
            31  C8y C    16.6835  -12.9935
            32  C8x C    15.4676  -12.2919
            33  C8x C    14.2550  -12.9987
            34  X   Cl   17.8963  -12.2867
            35  O5a O    14.2697  -18.8053
            36  C1b C    16.6916  -19.0082
            37  C8y C    17.9075  -19.7025
            38  C8x C    17.9095  -21.0988
            39  C8x C    19.1252  -21.8002
            40  C8x C    20.2679  -21.0934
            41  N5x N    20.3349  -19.6923
            42  C8x C    19.1190  -18.9980
            43  O5a O    17.8965  -15.2921
            44  C1b C    20.3183  -15.2850
            45  O5a O    21.5354  -18.7842
            46  C1b C    23.9515  -18.9871
            47  C5a C    25.1591  -16.6682
            48  N1b N    26.3691  -17.3621
            49  C1c C    27.5799  -16.6580
            50  C5a C    28.7909  -17.3550
            51  N1b N    30.0019  -16.6509
            52  C1c C    31.2127  -17.3479
            53  C5a C    32.4237  -16.6438
            54  N1b N    33.6276  -17.3410
            55  C1c C    34.8386  -16.6369
            56  C5a C    36.0494  -17.3339
            57  N1y N    37.2561  -16.6273
            58  O5a O    28.7939  -18.7559
            59  O5a O    25.1535  -15.2671
            60  C1b C    27.5769  -15.2569
            61  C1b C    28.7895  -14.5572
            62  C1b C    28.7865  -13.1563
            63  N1b N    29.9994  -12.4495
            64  C5a C    31.2149  -13.1511
            65  N1a N    32.4278  -12.4443
            66  O5a O    31.2181  -14.5520
            67  C8y C    25.1680  -19.6802
            68  C8x C    25.1692  -21.0777
            69  C8x C    26.3858  -21.7781
            70  C8y C    27.5976  -21.0701
            71  C8x C    27.5932  -19.6690
            72  C8x C    26.3768  -18.9759
            73  O1a O    28.8142  -21.7703
            74  C1b C    31.2158  -19.1688
            75  C1c C    32.4317  -19.8633
            76  O5a O    32.4207  -15.2427
            77  O5a O    36.0525  -18.7348
            78  C1y C    38.6090  -17.0162
            79  C1x C    39.3926  -15.8548
            80  C1x C    38.5280  -14.7529
            81  C1x C    37.2138  -15.2298
            82  C1b C    34.8356  -15.2358
            83  C1b C    36.0481  -14.5361
            84  C1b C    36.0451  -13.1352
            85  N1b N    37.2579  -12.4284
            86  C5a C    10.6487  -19.9336
            87  O5a O    10.6518  -21.3347
            88  O1a O    21.5310  -14.5855
            89  C2c C    37.2549  -11.0273
            90  N1a N    38.4676  -10.3278
            91  N2a N    36.0390  -10.3330
            92  C1a C    32.4347  -21.2644
            93  C1a C    33.6373  -19.1636
            94  C1a C    11.8451  -19.2375
            95  C5a C    38.6090  -18.4162
            96  O5a O    37.4226  -19.1014
            97  N1b N    39.8417  -19.1282
            98  C1c C    41.0532  -18.4290
            99  C5a C    42.2324  -19.1101
            100 C1a C    41.0539  -17.0104
            101 N1a N    43.4281  -18.4198
            102 O5a O    42.2322  -20.5098
            103 C6a C     5.4600  -14.1400
            104 C1a C     6.6739  -14.8427
            105 O6a O     4.2519  -14.8427
            106 O6a O     5.4600  -12.7403
BOND        110
            1    52  53 1
            2    53  54 1
            3    13  26 2
            4    54  55 1
            5    11  12 1
            6    55  56 1
            7    15  27 1 #Down
            8    56  57 1
            9    50  58 2
            10   27  28 1
            11   47  59 2
            12   12  13 1
            13   49  60 1 #Down
            14    1   2 2
            15   60  61 1
            16   13  14 1
            17   61  62 1
            18    2   3 1
            19   62  63 1
            20   14  15 1
            21   63  64 1
            22   28  29 2
            23   64  65 1
            24   29  30 1
            25   64  66 2
            26   30  31 2
            27   46  67 1
            28   31  32 1
            29   32  33 2
            30   33  28 1
            31    3   6 2
            32   31  34 1
            33   67  68 2
            34   68  69 1
            35   69  70 2
            36   70  71 1
            37   71  72 2
            38   72  67 1
            39   15  16 1
            40   70  73 1
            41   16  35 2
            42   52  74 1 #Down
            43    5   4 2
            44   74  75 1
            45   18  36 1 #Up
            46   53  76 2
            47   16  17 1
            48   56  77 2
            49   36  37 1
            50    5   6 1
            51   17  18 1
            52    6   7 1
            53   57  78 1
            54   78  79 1
            55   79  80 1
            56   80  81 1
            57   81  57 1
            58   18  19 1
            59    7   8 2
            60   37  38 2
            61   38  39 1
            62   39  40 2
            63   40  41 1
            64   41  42 2
            65   42  37 1
            66   19  20 1
            67   55  82 1 #Up
            68   19  43 2
            69   82  83 1
            70    8   9 1
            71   83  84 1
            72   21  44 1 #Up
            73   84  85 1
            74   20  21 1
            75   25  86 1
            76   22  45 2
            77   86  87 2
            78    9  10 2
            79   24  46 1 #Down
            80   44  88 1
            81   21  22 1
            82   85  89 1
            83   24  47 1
            84   89  90 1
            85   10   5 1
            86   89  91 2
            87   47  48 1
            88   75  92 1
            89   22  23 1
            90   75  93 1
            91   48  49 1
            92    4   1 1
            93   49  50 1
            94   23  24 1
            95   50  51 1
            96    9  11 1
            97   51  52 1
            98   12  25 1 #Down
            99   86  94 1
            100  78  95 1 #Up
            101  95  96 2
            102  95  97 1
            103  97  98 1
            104  98  99 1
            105  98 100 1
            106  99 101 1
            107  99 102 2
            108 103 104 1
            109 103 105 1
            110 103 106 2


entry: D01686
name: --- - Cefteram pivoxil (JP15) - Tomiron (TN) - CFTM-PI - T 2588
formula: C22H27N9O7S2
remark: Therapeutic category: 6132
comment: semisynthetic cephalosporin: broad spectrum cephalosporin
kcf:
ATOM        40
            1   C1y C    29.5435  -15.2617
            2   N1y N    29.5435  -16.6619
            3   C2y C    30.7337  -17.3621
            4   C2y C    31.9240  -16.6619
            5   C1x C    31.9240  -15.2617
            6   S2x S    30.7337  -14.5615
            7   C1y C    28.1432  -15.2617
            8   C5x C    28.1432  -16.6619
            9   N1b N    26.8829  -14.5615
            10  C5a C    25.6927  -15.2617
            11  O5a O    25.6927  -16.6619
            12  O5x O    26.8829  -17.3621
            13  C2c C    24.5024  -14.5615
            14  C1b C    33.1843  -17.3621
            15  C8y C    23.2421  -15.2617
            16  N4y N    34.3746  -16.6619
            17  C8x C    22.1919  -14.4214
            18  S2x S    21.0017  -15.1916
            19  C8y C    21.4218  -16.5919
            20  N5x N    22.8220  -16.5919
            21  N2b N    24.5024  -13.1611
            22  O2a O    23.3121  -12.4610
            23  C1a C    22.1218  -13.0911
            24  C7a C    30.7337  -19.8824
            25  O7a O    31.9240  -20.5826
            26  O7a O    29.4735  -20.5826
            27  N1a N    20.5816  -17.7121
            28  N5x N    35.5247  -17.4651
            29  C8y C    36.6450  -16.6222
            30  N5x N    36.1896  -15.2962
            31  N5x N    34.7878  -15.3196
            32  C1a C    37.8575  -17.3222
            33  C1b C    33.1402  -19.8935
            34  O7a O    34.3185  -20.5868
            35  C7a C    35.5254  -19.9030
            36  C1d C    36.7471  -20.6221
            37  O7a O    35.5366  -18.4802
            38  C1a C    37.9596  -21.3221
            39  C1a C    36.0304  -21.8509
            40  C1a C    37.4410  -19.4324
BOND        43
            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   15  17 2
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   13  21 2
            24   21  22 1
            25   22  23 1
            26    3  24 1
            27   24  25 1
            28   24  26 2
            29   19  27 1
            30   16  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   16  31 1
            35   29  32 1
            36   25  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   35  37 2
            41   36  38 1
            42   36  39 1
            43   36  40 1


entry: D01687
name: --- - Cefuzonam sodium (JAN) - CZON
formula: C16H14N7O5S4. Na
remark: Therapeutic category: 6132
comment: semisynthetic cephalosporin: broad spectrum cephalosporin
kcf:
ATOM        33
            1   C1y C    27.4220  -15.3033
            2   N1y N    27.4220  -16.6951
            3   C2y C    28.6274  -17.3907
            4   C2y C    29.8325  -16.6951
            5   C1x C    29.8325  -15.3033
            6   S2x S    28.6274  -14.6076
            7   C1y C    26.0302  -15.3033
            8   C5x C    26.0302  -16.6951
            9   N1b N    24.8252  -14.6076
            10  C5a C    23.6198  -15.3033
            11  O5a O    23.6198  -16.6951
            12  O5x O    24.8252  -17.3907
            13  C2c C    22.4145  -14.6076
            14  C1b C    31.0563  -17.4019
            15  C8y C    21.1900  -15.3150
            16  S2a S    32.2664  -16.7035
            17  C8y C    33.4713  -17.3995
            18  C8x C    20.0789  -14.4546
            19  S2x S    18.9132  -15.2446
            20  C8y C    19.3042  -16.5974
            21  N5x N    20.7117  -16.5735
            22  N2b N    22.4144  -13.1944
            23  O2a O    21.2003  -12.4934
            24  C1a C    20.0057  -13.1835
            25  C8x C    33.8846  -18.7410
            26  N5x N    35.2880  -18.7621
            27  N5x N    35.7418  -17.4341
            28  S2x S    34.6190  -16.5920
            29  N1a N    18.4274  -17.7245
            30  C6a C    28.6273  -18.8082
            31  O6a O    27.4235  -19.5033
            32  O0  O    29.8549  -19.5171 #-
            33  Z   Na   31.2900  -19.6000 #+
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: D01688
name: --- - Epalrestat (JAN) - Kinedak (TN)
formula: C15H13NO3S2
remark: Therapeutic category: 3999
kcf:
ATOM        21
            1   C8x C    15.2303  -16.8093
            2   C8x C    15.2303  -18.2105
            3   C8x C    16.4476  -18.9075
            4   C8x C    17.6576  -18.2105
            5   C8y C    17.6576  -16.8093
            6   C8x C    16.4476  -16.1051
            7   C2b C    18.8726  -16.1061
            8   C2c C    20.0864  -16.8111
            9   C2b C    21.3014  -16.1078
            10  C1a C    20.0854  -18.2122
            11  C2y C    22.3935  -16.8924
            12  C2y C    24.2355  -18.2245
            13  N1y N    24.6694  -16.8924
            14  C5x C    23.5315  -16.0629
            15  S2x S    22.8344  -18.2245
            16  O5x O    23.5313  -14.6618
            17  S0  S    25.0537  -19.3604
            18  C1b C    25.8761  -16.1756
            19  C6a C    27.0979  -16.8667
            20  O6a O    28.3048  -16.1497
            21  O6a O    27.1129  -18.2678
BOND        22
            1     4   5 1
            2     9  11 2
            3     5   6 2
            4     6   1 1
            5     5   7 1
            6    12  13 1
            7    13  14 1
            8    14  11 1
            9    11  15 1
            10   15  12 1
            11    1   2 2
            12   14  16 2
            13    7   8 2
            14   12  17 2
            15    2   3 1
            16   13  18 1
            17    8   9 1
            18   18  19 1
            19    3   4 2
            20   19  20 2
            21    8  10 1
            22   19  21 1


entry: D01689
name: --- - Loteprednol etabonate (JAN/USAN) - Lotemax (TN)
formula: C24H31ClO7
activity: Anti-inflammatory [topical]
remark: Therapeutic category: 1319
kcf:
ATOM        32
            1   C1z C    27.1943  -18.2248
            2   C1z C    26.0075  -18.8849
            3   C1x C    28.3695  -18.9200
            4   C7a C    27.2177  -16.8387
            5   O7a O    28.3870  -17.5164
            6   C1y C    26.0308  -20.2998
            7   C1x C    24.8204  -18.2014
            8   C1a C    25.9958  -17.4932
            9   C1x C    28.3518  -20.2883
            10  O7a O    26.0307  -16.1247
            11  O7a O    28.4279  -16.1598
            12  C7a C    29.7671  -17.5164
            13  C1y C    24.7970  -20.9263
            14  C1y C    23.5855  -18.8615
            15  C1b C    24.8263  -16.8153
            16  O7a O    30.4519  -16.3236
            17  O7a O    30.4636  -18.7151
            18  C1y C    23.6205  -20.2356
            19  C1x C    24.7970  -22.2888
            20  O1a O    22.4455  -18.1897
            21  X   Cl   23.6205  -16.1189
            22  C1b C    31.8319  -16.3236
            23  C1z C    22.4338  -20.9146
            24  C1x C    23.6088  -22.9665
            25  C2y C    22.4279  -22.2829
            26  C2x C    21.2528  -20.2296
            27  C1a C    22.4221  -19.5461
            28  C2x C    21.2528  -22.9606
            29  C2x C    20.0773  -20.9146
            30  C5x C    20.0773  -22.2829
            31  O5x O    18.8906  -22.9547
            32  C1a C    32.5249  -15.1180
BOND        35
            1     1   5 1 #Down
            2     2   6 1
            3     2   7 1
            4     2   8 1 #Up
            5     3   9 1
            6     4  10 1
            7     4  11 2
            8     5  12 1
            9     6  13 1
            10    7  14 1
            11   10  15 1
            12   12  16 1
            13   12  17 2
            14   13  18 1
            15   13  19 1
            16   14  20 1 #Up
            17   15  21 1
            18   16  22 1
            19   18  23 1
            20   19  24 1
            21   23  25 1
            22   23  26 1
            23   23  27 1 #Up
            24   25  28 2
            25   26  29 2
            26   28  30 1
            27   30  31 2
            28    6   9 1
            29   14  18 1
            30   24  25 1
            31   29  30 1
            32   22  32 1
            33    1   2 1
            34    1   3 1
            35    1   4 1 #Up


entry: D01690
name: --- - Vesnarinone (JAN/USAN) - Arkin Z (TN)
formula: C22H25N3O4
activity: Cardiotonic
remark: Therapeutic category: 2119
kcf:
ATOM        29
            1   C8y C    29.7220  -19.7439
            2   C8y C    29.7150  -21.1451
            3   N1x N    30.9258  -21.8483
            4   C5x C    32.1437  -21.1573
            5   C1x C    32.1508  -19.7562
            6   C1x C    30.9400  -19.0460
            7   N1y N    23.6667  -17.6527
            8   C1x C    23.6667  -19.0539
            9   C1x C    24.8840  -19.7581
            10  N1y N    26.0941  -19.0539
            11  C1x C    26.0941  -17.6527
            12  C1x C    24.8840  -16.9557
            13  C8y C    27.3092  -19.7571
            14  C8x C    27.3077  -21.1515
            15  C8x C    28.5227  -21.8478
            16  C8x C    28.5207  -19.0453
            17  C5a C    22.4527  -16.9552
            18  C8y C    21.2378  -17.6515
            19  C8x C    20.0367  -16.9567
            20  C8y C    18.8219  -17.6531
            21  C8y C    18.8212  -19.0543
            22  C8x C    20.0352  -19.7589
            23  C8x C    21.2429  -19.0555
            24  O2a O    17.6079  -16.9555
            25  O2a O    17.6064  -19.7578
            26  O5a O    22.4533  -15.5539
            27  C1a C    16.3924  -19.0529
            28  C1a C    16.3931  -17.6519
            29  O5x O    33.3546  -21.8604
BOND        32
            1     2   3 1
            2    13  14 1
            3    14  15 2
            4    15   2 1
            5     1  16 1
            6    16  13 2
            7     3   4 1
            8     7  17 1
            9     4   5 1
            10   17  18 1
            11    5   6 1
            12    7   8 1
            13    8   9 1
            14    9  10 1
            15   10  11 1
            16   18  19 2
            17   19  20 1
            18   20  21 2
            19   21  22 1
            20   22  23 2
            21   23  18 1
            22   11  12 1
            23   20  24 1
            24   12   7 1
            25   21  25 1
            26    6   1 1
            27   17  26 2
            28   10  13 1
            29   25  27 1
            30   24  28 1
            31    1   2 2
            32    4  29 2


entry: D01691
name: --- - Nipradilol (JAN) - Hypadil (TN)
formula: C15H22N2O6
remark: Therapeutic category: 1319 2149
kcf:
ATOM        23
            1   C8y C    23.2500  -17.3838
            2   C8y C    22.0305  -16.6838
            3   C8y C    24.4635  -16.6838
            4   O2x O    23.2500  -18.7842
            5   C8x C    22.0305  -15.2776
            6   C1x C    20.7878  -17.3838
            7   C8x C    24.4635  -15.2776
            8   O2a O    25.6771  -17.3781
            9   C1x C    22.0362  -19.4960
            10  C8x C    23.2500  -14.5775
            11  C1y C    20.8168  -18.7901
            12  C1b C    26.8847  -16.6838
            13  C1c C    28.1041  -17.3781
            14  C1b C    29.3179  -16.6779
            15  O1a O    28.1041  -18.7842
            16  N1b N    30.5373  -17.3781
            17  C1c C    31.7507  -16.6779
            18  C1a C    32.9593  -17.3762
            19  C1a C    31.7511  -15.2820
            20  O2a O    19.6089  -19.4899
            21  N2b N    18.3990  -18.7936 #+
            22  O0  O    17.0512  -19.4934 #-
            23  O3a O    18.3969  -17.3978
BOND        24
            1     3   7 1
            2     3   8 1
            3     4   9 1
            4     5  10 1
            5     6  11 1
            6     8  12 1
            7    12  13 1
            8    13  14 1
            9    13  15 1
            10   14  16 1
            11   16  17 1
            12    7  10 2
            13    9  11 1
            14   17  18 1
            15    1   2 1
            16   17  19 1
            17    1   3 2
            18   11  20 1
            19    1   4 1
            20   20  21 1
            21    2   5 2
            22   21  22 1
            23    2   6 1
            24   21  23 2


entry: D01692
name: --- - Alfuzosin hydrochloride (JAN/USAN) - Uroxatral (TN)
formula: C19H27N5O4. HCl
activity: Antihypertensive [alpha-blocker]
remark: Therapeutic category: 2590
kcf:
ATOM        29
            1   C8y C    21.4500  -13.4748
            2   C8y C    21.4500  -12.0658
            3   C8x C    22.6778  -14.1822
            4   C8y C    20.2397  -14.1822
            5   N5x N    20.2397  -11.3817
            6   C8x C    22.6778  -11.3817
            7   C8y C    23.8821  -13.4748
            8   N5x N    19.0294  -13.4748
            9   N1a N    20.2397  -15.5855
            10  C8y C    19.0294  -12.0658
            11  C8y C    23.8821  -12.0658
            12  O2a O    25.1158  -14.1822
            13  N1c N    17.8190  -11.3817
            14  O2a O    25.1158  -11.3817
            15  C1a C    26.3203  -13.4689
            16  C1b C    16.5970  -12.0658
            17  C1a C    26.3203  -12.0774
            18  C1a C    17.8219   -9.9828
            19  C1b C    15.3948  -11.3505
            20  C1b C    14.1744  -12.0339
            21  N1b N    12.9722  -11.3186
            22  C5a C    11.7517  -12.0019
            23  O5a O    11.7799  -13.4006
            24  C1y C    10.5565  -11.3311
            25  C1x C    10.1211  -10.0016
            26  O2x O     9.4217  -12.1564
            27  C1x C     8.2870  -11.3311
            28  C1x C     8.7223  -10.0016
            29  X   Cl   29.5439  -12.6330
BOND        30
            1     7  12 1
            2    10  13 1
            3    11  14 1
            4    12  15 1
            5    13  16 1
            6    14  17 1
            7     7  11 1
            8     8  10 1
            9    13  18 1
            10   16  19 1
            11    1   2 2
            12   19  20 1
            13    1   3 1
            14   20  21 1
            15    1   4 1
            16   21  22 1
            17    2   5 1
            18   22  23 2
            19    2   6 1
            20   22  24 1
            21    3   7 2
            22    4   8 2
            23    4   9 1
            24    5  10 2
            25   25  24 1
            26   24  26 1
            27   26  27 1
            28   27  28 1
            29   28  25 1
            30    6  11 2


entry: D01693
name: --- - Dehydrocholic acid (JP15/USP) - Purified dehydrocholic acid (JP15) - Decholin (TN)
formula: C24H34O5
activity: Choleretic
remark: Same as: C13154 Therapeutic category: 2362
kcf:
ATOM        29
            1   C1x C     7.8400  -15.2600
            2   C5x C     7.8400  -16.6600
            3   C1x C     9.0524  -17.3600
            4   C1y C    10.2649  -16.6600
            5   C1z C    10.2649  -15.2600
            6   C1x C     9.0524  -14.5600
            7   C1x C    11.4773  -17.3600
            8   C5x C    12.6897  -16.6600
            9   C1y C    12.6897  -15.2600
            10  C1y C    11.4773  -14.5600
            11  C1y C    13.9022  -14.5600
            12  C1z C    13.9022  -13.1600
            13  C5x C    12.6897  -12.4600
            14  C1x C    11.4773  -13.1600
            15  O5x O     6.6276  -17.3600
            16  O5x O    13.8873  -17.3515
            17  O5x O    12.6897  -11.0601
            18  C1a C    10.2649  -13.8600
            19  C1a C    13.9022  -11.7600
            20  C1x C    16.3270  -14.5600
            21  C1x C    16.3270  -13.1600
            22  C1y C    15.1146  -12.4600
            23  C1c C    15.1146  -10.4300
            24  C1b C    16.3311   -9.7277
            25  C1a C    13.9062   -9.7323
            26  C1b C    17.5286  -10.4192
            27  C6a C    18.7149   -9.7343
            28  O6a O    19.9067  -10.4226
            29  O6a O    18.7151   -8.3302
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    2  15 2
            18    8  16 2
            19   13  17 2
            20    5  18 1 #Up
            21   12  19 1 #Up
            22   11  20 1
            23   20  21 1
            24   21  22 1
            25   12  22 1
            26   22  23 1 #Up
            27   23  24 1
            28   23  25 1 #Down
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2


entry: D01694
name: --- - Pantothenyl ethylether (JAN)
formula: C11H23NO4
remark: Therapeutic category: 2679
kcf:
ATOM        16
            1   C1c C    19.5331  -12.0200
            2   C1d C    18.3154  -12.7191
            3   C5a C    20.7449  -12.7191
            4   O1a O    19.5331  -10.6217
            5   C1b C    17.1037  -12.0200
            6   C1a C    17.1037  -13.4240
            7   C1a C    19.5331  -13.4240
            8   N1b N    21.9510  -12.0200
            9   O5a O    20.7449  -14.1174
            10  O1a O    15.8860  -12.7191
            11  C1b C    23.1687  -12.7191
            12  C1b C    24.3806  -12.0200
            13  C1b C    25.5924  -12.7191
            14  O2a O    26.8101  -12.0200
            15  C1b C    28.0154  -12.7198
            16  C1a C    29.2243  -12.0259
BOND        15
            1     1   3 1
            2     1   4 1 #Up
            3     2   5 1
            4     2   6 1
            5     2   7 1
            6     3   8 1
            7     3   9 2
            8     5  10 1
            9     8  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14    1   2 1
            15   15  16 1


entry: D01696
name: --- - Lenampicillin hydrochloride (JP15) - Valacillin (TN) - Kbt 1585
formula: C21H23N3O7S. HCl
remark: Therapeutic category: 6131
comment: semisynthetic penicillin: moderate spectrum penicillin
kcf:
ATOM        33
            1   C1y C    10.0568  -14.5185
            2   C5x C    10.0568  -15.9231
            3   N1y N    11.4614  -15.9231
            4   C1y C    11.4614  -14.5185
            5   C1y C    12.7957  -16.3444
            6   C1z C    13.6383  -15.2207
            7   S2x S    12.7957  -14.0971
            8   C1a C    14.6217  -16.2040
            9   C1a C    14.6217  -14.2375
            10  C7a C    13.2873  -17.6787
            11  O7a O    14.6918  -17.6787
            12  O7a O    12.4444  -18.8023
            13  N1b N     8.8629  -13.8162
            14  C5a C     7.6690  -14.5185
            15  O5x O     8.8629  -16.6253
            16  O5a O     7.6690  -15.9231
            17  C1c C     6.4498  -13.8211
            18  C8y C     5.2576  -14.5162
            19  N1a N     6.4498  -12.4201
            20  C8x C     4.0442  -13.8157
            21  C8x C     2.8309  -14.5162
            22  C8x C     2.8309  -15.9172
            23  C8x C     4.0442  -16.6177
            24  C8x C     5.2576  -15.9172
            25  C1b C    15.4096  -18.9217
            26  C8y C    16.8028  -18.9214
            27  C8y C    17.6149  -20.0384
            28  O7x O    18.9282  -19.6112
            29  C8y C    18.9278  -18.2302
            30  O7x O    17.6142  -17.8038
            31  C1a C    17.1908  -21.3460
            32  O7x O    20.0558  -17.4099
            33  X   Cl   19.1833  -14.3526
BOND        35
            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 #Up
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   18  24 1
            27   11  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   26  30 1
            34   27  31 1
            35   29  32 2


entry: D01697
name: --- - Colforsin daropate hydrochloride (JAN) - Adehl (TN) - Nkh 477
formula: C27H43NO8. HCl
remark: Therapeutic category: 2119
kcf:
ATOM        37
            1   C1x C    18.3442  -13.2378
            2   C1x C    18.3442  -14.7146
            3   C1z C    19.5061  -15.3836
            4   C1y C    19.5061  -12.5685
            5   C1z C    20.6611  -13.2378
            6   C1y C    20.6553  -14.7146
            7   C1y C    21.8116  -15.3884
            8   C1y C    22.9733  -14.7245
            9   C1z C    21.8229  -12.5733
            10  C1z C    22.9733  -13.2504
            11  O2x O    24.1348  -12.5923
            12  C1z C    24.1460  -10.6643
            13  C1x C    22.9954   -9.9875
            14  C5x C    21.8332  -10.6455
            15  C2b C    25.2995   -9.9947
            16  C2a C    26.4553  -10.6573
            17  O7a O    21.8762  -17.9169
            18  O7a O    24.1310  -15.3960
            19  C1a C    22.9609  -11.9060
            20  C1a C    20.6491  -11.8994
            21  O1a O    19.4932  -11.2301
            22  O1a O    21.8089  -13.9068
            23  O5x O    20.6686   -9.9744
            24  C1a C    19.5108  -17.0754
            25  C1a C    18.3374  -16.0461
            26  C7a C    23.0313  -18.5744
            27  C1b C    24.1871  -17.9053
            28  C1b C    25.3429  -18.5675
            29  O7a O    23.0252  -19.9126
            30  C7a C    25.2914  -14.7294
            31  O7a O    25.2944  -13.3910
            32  C1a C    26.4252  -15.3665
            33  C1a C    25.3496  -11.6418
            34  N1c N    26.5586  -17.8609
            35  C1a C    27.7468  -18.5423
            36  C1a C    26.5548  -16.4502
            37  X   Cl   30.5215  -14.9848
BOND        38
            1     7   8 1
            2     7  17 1 #Up
            3     8  10 1
            4     8  18 1 #Up
            5     9   5 1
            6    10  19 1 #Up
            7     3   6 1
            8     5  20 1 #Up
            9     5   4 1
            10    4  21 1 #Down
            11    4   1 1
            12    9  22 1 #Down
            13   14  23 2
            14    1   2 1
            15    3  24 1
            16    9  10 1
            17    3  25 1
            18   10  11 1
            19   17  26 1
            20   11  12 1
            21   26  27 1
            22   12  13 1
            23   27  28 1
            24   13  14 1
            25   26  29 2
            26   14   9 1
            27   18  30 1
            28   30  32 1
            29    2   3 1
            30   30  31 2
            31   12  15 1
            32    5   6 1
            33   15  16 2
            34    6   7 1
            35   12  33 1 #Up
            36   28  34 1
            37   34  35 1
            38   34  36 1


entry: D01698
name: --- - Dalcotidine (JAN) - KU 1257
formula: C18H29N3O2
kcf:
ATOM        23
            1   C8x C    21.5431  -16.0963
            2   C8y C    21.5411  -17.5056
            3   C8x C    22.7598  -18.2125
            4   C8x C    23.9813  -17.5047
            5   C8x C    23.9764  -16.0902
            6   C8y C    22.7567  -15.3967
            7   C1b C    20.3224  -18.2108
            8   N1y N    19.1049  -17.5037
            9   C1x C    19.1401  -16.0971
            10  C1x C    17.9063  -15.3972
            11  C1x C    16.6835  -16.0895
            12  C1x C    16.6791  -17.4964
            13  C1x C    17.8973  -18.2112
            14  O2a O    22.7526  -13.9984
            15  C1b C    23.9571  -13.2943
            16  C1b C    25.1647  -13.9863
            17  C1b C    26.3724  -13.2872
            18  N1b N    27.5800  -13.9792
            19  C5a C    28.7877  -13.2801
            20  N1b N    29.9953  -13.9723
            21  C1b C    31.2030  -13.2731
            22  C1a C    32.4106  -13.9652
            23  O5a O    28.7614  -11.8817
BOND        24
            1     2   7 1
            2     3   4 2
            3     7   8 1
            4     8   9 1
            5     4   5 1
            6     6  14 1
            7     5   6 2
            8    14  15 1
            9     6   1 1
            10   15  16 1
            11    8  13 1
            12   16  17 1
            13    9  10 1
            14   17  18 1
            15   10  11 1
            16   18  19 1
            17   11  12 1
            18   19  20 1
            19   12  13 1
            20   20  21 1
            21    1   2 2
            22   21  22 1
            23    2   3 1
            24   19  23 2


entry: D01699
name: --- - Darifenacin hydrobromide (JAN/USAN) - Enablex (TN)
formula: C28H30N2O2. HBr
activity: Treatment for an overactive bladder
remark: Therapeutic category: 2590
kcf:
ATOM        33
            1   X   Br   33.2624  -18.4846
            2   C8x C    23.5975  -19.6597
            3   C8x C    23.5975  -21.0208
            4   C8x C    24.7762  -21.7014
            5   C8x C    25.9550  -21.0208
            6   C8y C    25.9550  -19.6597
            7   C8x C    24.7762  -18.9792
            8   C8x C    28.3124  -21.0208
            9   C8y C    28.3124  -19.6597
            10  C1d C    27.1337  -18.9792
            11  C8x C    29.4912  -21.7014
            12  C8x C    30.6699  -21.0208
            13  C8x C    30.6699  -19.6597
            14  C8x C    29.4912  -18.9792
            15  C1y C    27.1337  -17.6181
            16  C5a C    25.0703  -17.7542
            17  O5a O    25.0703  -16.3932
            18  N1a N    23.9060  -18.4173
            19  C1x C    28.2366  -16.8168
            20  N1y N    27.8153  -15.5204
            21  C1x C    26.4521  -15.5204
            22  C1x C    26.0309  -16.8168
            23  C1b C    30.5941  -15.4558
            24  C1b C    29.4153  -14.7752
            25  C8y C    31.7893  -14.7658
            26  C8x C    32.9463  -15.4342
            27  C8y C    34.1252  -14.7538
            28  C8y C    34.1254  -13.3928
            29  C8x C    32.9683  -12.7244
            30  C8x C    31.7895  -13.4047
            31  C1x C    35.4196  -15.1746
            32  C1x C    36.2198  -14.0736
            33  O2x O    35.4200  -12.9724
BOND        36
            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     8   9 1
            8     9  10 1
            9     6  10 1
            10    8  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14    9  14 2
            15   10  15 1 #Down
            16   10  16 1
            17   16  17 2
            18   16  18 1
            19   15  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   15  22 1
            24   23  24 1
            25   23  25 1
            26   20  24 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   25  30 1
            33   27  31 1
            34   31  32 1
            35   32  33 1
            36   28  33 1


entry: D01700
name: --- - Dibunate sodium (JAN) - Sodium dibunate
formula: C18H23O3S. Na
remark: Therapeutic category: 2229
kcf:
ATOM        23
            1   C8y C     8.2600  -16.1700
            2   C8x C     8.2600  -17.5700
            3   C8x C     9.4724  -18.2700
            4   C8y C    10.6849  -17.5700
            5   C8y C    10.6849  -16.1700
            6   C8y C     9.4724  -15.4700
            7   C8x C    11.8973  -18.2700
            8   C8y C    13.1097  -17.5700
            9   C8x C    13.1097  -16.1700
            10  C8x C    11.8973  -15.4700
            11  C1d C    14.3073  -18.2615
            12  C1a C    15.5197  -18.9615
            13  C1a C    13.5971  -19.4921
            14  C1a C    14.9965  -17.0673
            15  S4a S     9.4724  -13.1602
            16  O0  O     9.4724  -11.7602 #-
            17  O3c O     8.0500  -13.1602
            18  O3c O    10.8500  -13.1602
            19  C1d C     7.0476  -15.4700
            20  C1a C     5.8351  -14.7700
            21  C1a C     6.3534  -16.6727
            22  C1a C     7.7530  -14.2479
            23  Z   Na   10.9200  -11.9000 #+
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     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   11  13 1
            15   11  14 1
            16    6  15 1
            17   15  16 1
            18   15  17 2
            19   15  18 2
            20    1  19 1
            21   19  20 1
            22   19  21 1
            23   19  22 1


entry: D01701
name: --- - Difeterol hydrochloride (JAN)
formula: C25H29NO2. HCl
remark: Therapeutic category: 1179
kcf:
ATOM        29
            1   C1c C    28.1858  -19.2301
            2   C8y C    29.3944  -19.9248
            3   C8y C    26.9714  -19.9248
            4   O2a O    28.1858  -17.8813
            5   C8x C    29.3944  -21.3321
            6   C8x C    30.5972  -19.2301
            7   C8x C    26.9714  -21.3262
            8   C8x C    25.7568  -19.2301
            9   C1b C    29.3944  -17.1340
            10  C8x C    30.5972  -22.0385
            11  C8x C    31.8175  -19.9248
            12  C8x C    25.7568  -22.0327
            13  C8x C    24.5424  -19.9308
            14  C8x C    31.8175  -21.3321
            15  C8x C    24.5424  -21.3321
            16  C1b C    30.6284  -17.8217
            17  N1c N    31.8402  -17.0969
            18  C1c C    33.0635  -17.7782
            19  C1a C    31.8182  -15.6804
            20  C1c C    34.2468  -17.0703
            21  C1a C    33.0151  -19.1793
            22  C8y C    35.4611  -17.7466
            23  O1a O    34.2252  -15.6800
            24  C8x C    35.4825  -19.1800
            25  C8x C    36.7053  -19.8618
            26  C8x C    37.9071  -19.1437
            27  C8x C    37.9557  -17.7104
            28  C8x C    36.6629  -17.0286
            29  X   Cl   37.1590  -21.3873
BOND        30
            1     5  10 2
            2     6  11 1
            3     7  12 1
            4     8  13 2
            5    10  14 1
            6    12  15 2
            7    11  14 2
            8    13  15 1
            9     1   2 1
            10    1   3 1
            11    1   4 1
            12    2   5 1
            13    2   6 2
            14    3   7 2
            15    3   8 1
            16    4   9 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1
            21   18  20 1
            22   18  21 1
            23   20  22 1
            24   20  23 1
            25   22  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   22  28 1


entry: D01702
name: --- - Dimazole dihydrochloride (JAN) - Asterol (TN)
formula: C15H23N3OS. 2HCl
kcf:
ATOM        22
            1   C8x C    26.9008  -15.6583
            2   C8y C    26.9008  -14.2579
            3   C8x C    28.1164  -13.5578
            4   C8x C    28.1164  -16.3584
            5   C8y C    29.3249  -15.6583
            6   C8y C    29.3191  -14.2545
            7   S2x S    30.6523  -13.8151
            8   C8y C    31.4818  -14.9474
            9   N5x N    30.6617  -16.0865
            10  N1c N    32.8821  -15.0116
            11  C1a C    33.5773  -13.7960
            12  O2a O    25.6884  -13.5573
            13  C1a C    33.5872  -16.2215
            14  C1b C    24.4750  -14.2510
            15  C1b C    23.2655  -13.5508
            16  N1c N    22.0562  -14.2510
            17  C1b C    20.8469  -13.5508
            18  C1a C    19.6375  -14.2510
            19  C1b C    22.0562  -15.6513
            20  C1a C    20.8435  -16.3515
            21  X   Cl   33.1100  -18.2700
            22  X   Cl   33.1100  -18.2700
BOND        21
            1     2   3 2
            2     3   6 1
            3     5   4 1
            4     5   6 2
            5     6   7 1
            6     7   8 1
            7     8   9 2
            8     9   5 1
            9    10  13 1
            10   12  14 1
            11   14  15 1
            12    4   1 2
            13   15  16 1
            14    8  10 1
            15   16  17 1
            16   10  11 1
            17   17  18 1
            18    1   2 1
            19   16  19 1
            20    2  12 1
            21   19  20 1


entry: D01703
name: --- - Ciclesonide (JAN/USAN) - Alvesco (TN)
formula: C32H44O7
activity: Treatment of asthma as prophyactic therapy in adults and adolescents
remark: Therapeutic category: 2290
kcf:
ATOM        39
            1   C1z C    28.4887  -16.2920
            2   C1z C    27.2032  -16.6969
            3   C1y C    29.2692  -17.3895
            4   O2x O    29.2869  -15.2119
            5   C5a C    28.5283  -13.4388
            6   C1y C    27.2614  -18.0350
            7   C1x C    26.0527  -16.0161
            8   C1a C    27.2507  -15.2899
            9   C1x C    28.4652  -18.4636
            10  O2x O    30.5884  -16.9845
            11  C1y C    30.6294  -15.6464
            12  C1y C    26.0293  -18.7042
            13  C1y C    24.8849  -16.6794
            14  C1y C    24.8731  -18.0235
            15  C1x C    26.0293  -20.0541
            16  O1a O    23.7656  -15.8474
            17  C1z C    23.6933  -18.6868
            18  C1x C    24.8613  -20.7232
            19  C2y C    23.6875  -20.0425
            20  C2x C    22.5311  -18.0176
            21  C1a C    23.6886  -17.2807
            22  C2x C    22.5311  -20.7174
            23  C2x C    21.3631  -18.6868
            24  C5x C    21.3631  -20.0425
            25  O5x O    20.1893  -20.7174
            26  C1y C    31.7379  -14.8651
            27  C1x C    32.9312  -15.5540
            28  C1x C    34.1244  -14.8651
            29  C1x C    34.1244  -13.4872
            30  C1x C    32.9312  -12.7983
            31  C1x C    31.7379  -13.4872
            32  O5a O    29.7374  -12.7691
            33  C1b C    27.3453  -12.7274
            34  O7a O    26.1435  -13.3932
            35  C7a C    24.9306  -12.6644
            36  C1c C    23.7341  -13.3278
            37  O7a O    24.9545  -11.2962
            38  C1a C    22.5180  -12.5977
            39  C1a C    23.7103  -14.6720
BOND        44
            1     6  12 1
            2     7  13 1
            3    12  14 1
            4    12  15 1
            5    13  16 1 #Up
            6    14  17 1
            7    15  18 1
            8    17  19 1
            9    17  20 1
            10   17  21 1 #Up
            11   19  22 2
            12   20  23 2
            13   22  24 1
            14   24  25 2
            15    6   9 1
            16   10  11 1
            17   13  14 1
            18   18  19 1
            19   23  24 1
            20    1   2 1
            21    1   3 1
            22    1   4 1
            23    1   5 1 #Up
            24    2   6 1
            25    2   7 1
            26    2   8 1 #Up
            27    3   9 1
            28    3  10 1
            29    4  11 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   26  31 1
            36   11  26 1 #Down
            37    5  32 2
            38    5  33 1
            39   33  34 1
            40   34  35 1
            41   35  36 1
            42   35  37 2
            43   36  38 1
            44   36  39 1


entry: D01704
name: --- - Cilomilast (JAN/USAN) - Ariflo (TN)
formula: C20H25NO4
remark: Therapeutic category: 2290
activity:
Treatment of asthma, COPD, arthritis, atopic dermatitis, and multiple sclerosis [phosphodiesterase IV inhibitor]

kcf:
ATOM        25
            1   C1z C    27.7200  -14.4200
            2   C1x C    28.9100  -15.1200
            3   C1x C    30.1000  -14.4200
            4   C1y C    30.1000  -13.0200
            5   C1x C    28.9100  -12.3200
            6   C1x C    27.7200  -13.0200
            7   C8x C    24.0800  -15.1200
            8   C8y C    24.0800  -16.5200
            9   C8y C    25.2700  -17.2200
            10  C8x C    26.5300  -16.5200
            11  C8y C    26.5300  -15.1200
            12  C8x C    25.2700  -14.4200
            13  C6a C    31.3600  -12.3200
            14  O6a O    32.5500  -13.0200
            15  O6a O    31.3600  -10.9200
            16  C3b C    27.7200  -15.8200
            17  N3a N    27.7200  -17.2200
            18  O2a O    25.2700  -18.6200
            19  C1y C    24.0800  -19.3200
            20  O2a O    22.8900  -17.2200
            21  C1a C    21.6300  -16.5200
            22  C1x C    24.0800  -20.7200
            23  C1x C    22.7485  -18.8874
            24  C1x C    21.9256  -20.0200
            25  C1x C    22.7485  -21.1526
BOND        27
            1     1  11 1 #Up
            2     6   1 1
            3     4  13 1 #Up
            4    13  14 1
            5     1   2 1
            6    13  15 2
            7     2   3 1
            8     1  16 1 #Down
            9     3   4 1
            10   16  17 3
            11    4   5 1
            12    9  18 1
            13    5   6 1
            14   18  19 1
            15    7   8 2
            16    8   9 1
            17    9  10 2
            18   10  11 1
            19   11  12 2
            20    8  20 1
            21   12   7 1
            22   20  21 1
            23   19  22 1
            24   19  23 1
            25   23  24 1
            26   24  25 1
            27   22  25 1


entry: D01705
name: --- - Clemizole hydrochloride (JAN) - Allercur (TN) - Reactrol (TN)
formula: C19H20ClN3. HCl
kcf:
ATOM        24
            1   C8x C    22.3879  -17.2784
            2   C8x C    23.5779  -17.9657
            3   C8y C    24.7955  -17.2630
            4   C8y C    24.7957  -15.8573
            5   C8x C    23.6057  -15.1700
            6   C8x C    22.3881  -15.8726
            7   N5x N    26.1324  -17.6977
            8   C8y C    26.9589  -16.5606
            9   N4y N    26.1328  -15.4231
            10  C1b C    28.3330  -16.5609
            11  N1y N    29.0350  -15.3456
            12  C1b C    26.1328  -14.0231
            13  C8y C    24.9203  -13.3231
            14  C8x C    24.9203  -11.9000
            15  C8x C    23.7079  -11.2000
            16  C8y C    22.4955  -11.9000
            17  C8x C    22.4955  -13.3231
            18  C8x C    23.7079  -14.0231
            19  X   Cl   21.2641  -11.1888
            20  C1x C    30.4350  -15.3456
            21  C1x C    30.8676  -14.0141
            22  C1x C    29.7350  -13.1912
            23  C1x C    28.6023  -14.0141
            24  X   Cl   30.8700  -17.4300
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     3   7 1
            8     7   8 2
            9     8   9 1
            10    4   9 1
            11    8  10 1
            12   10  11 1
            13    9  12 1
            14   12  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   11  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   11  23 1


entry: D01706
name: --- - Migrenin (JP15) - Migrenin (TN)
formula: C8H10N4O2. C11H12N2O. C6H8O7
remark: Therapeutic category: 1144
kcf:
ATOM        41
            1   C8y C    20.5504  -16.4014
            2   C8y C    20.5504  -17.8273
            3   C8y C    21.7543  -15.6941
            4   N4y N    19.2470  -15.9687
            5   N4y N    21.7543  -18.5112
            6   N5x N    19.2470  -18.2598
            7   N4y N    22.9758  -16.4305
            8   O5x O    21.7543  -14.3147
            9   C8x C    18.4288  -17.1259
            10  C1a C    18.8144  -14.6420
            11  C8y C    22.9758  -17.7747
            12  C1a C    21.7543  -19.9431
            13  C1a C    24.1974  -15.7468
            14  O5x O    24.2265  -18.4761
            15  N4y N    13.0616  -17.6776
            16  C8y C    11.8670  -18.4120
            17  C8y C    14.3614  -18.2196
            18  N4y N    13.1782  -16.2904
            19  C8x C    10.6313  -17.7418
            20  C8x C    11.9019  -19.8108
            21  C8x C    15.2706  -17.1588
            22  C8y C    14.5422  -15.9640
            23  C1a C    12.1117  -15.3755
            24  C8x C     9.4831  -18.4293
            25  C8x C    10.7070  -20.5392
            26  C1a C    15.0725  -14.6701
            27  C8x C     9.4774  -19.8807
            28  O5x O    14.6841  -19.5762
            29  C1d C    30.2718  -17.7235
            30  C1b C    29.0580  -18.4237
            31  C1b C    31.4853  -18.4179
            32  C6a C    30.9660  -16.5099
            33  O1a O    29.5659  -16.5042
            34  C6a C    27.8503  -17.7294
            35  C6a C    31.4853  -19.8123
            36  O6a O    32.3664  -16.5099
            37  O6a O    30.2542  -15.2904
            38  O6a O    27.8444  -16.3291
            39  O6a O    26.6426  -18.4296
            40  O6a O    30.2658  -20.5068
            41  O6a O    32.6931  -20.5184
BOND        42
            1     3   8 2
            2     4   9 1
            3     4  10 1
            4     5  11 1
            5     5  12 1
            6     7  13 1
            7    11  14 2
            8     6   9 2
            9     7  11 1
            10    1   2 2
            11    1   3 1
            12    1   4 1
            13    2   5 1
            14    2   6 1
            15    3   7 1
            16   15  16 1
            17   15  17 1
            18   15  18 1
            19   16  19 1
            20   16  20 2
            21   17  21 1
            22   18  22 1
            23   18  23 1
            24   19  24 2
            25   20  25 1
            26   22  26 1
            27   24  27 1
            28   21  22 2
            29   25  27 2
            30   17  28 2
            31   29  30 1
            32   29  31 1
            33   29  32 1
            34   29  33 1
            35   30  34 1
            36   31  35 1
            37   32  36 2
            38   32  37 1
            39   34  38 2
            40   34  39 1
            41   35  40 2
            42   35  41 1


entry: D01707
name: --- - Gadopentetate dimeglumine (JAN/USP) - Magnevist (TN)
formula: C14H20N3O10. (C7H17NO5)2. Gd
activity: Diagnostic aid
remark: Therapeutic category: 7290
kcf:
ATOM        54
            1   O6a O     8.6114  -16.3485
            2   C6a C     9.8224  -15.6474
            3   C1b C    11.0333  -16.3414
            4   N1c N    12.2443  -15.6403
            5   C1b C    13.4553  -16.3342
            6   C1b C    14.6662  -15.6331
            7   N1c N    15.8772  -16.3272
            8   C1b C    17.0881  -15.6262
            9   C1b C    18.2991  -16.3201
            10  N1c N    19.5101  -15.6190
            11  C1b C    20.7210  -16.3130
            12  C6a C    21.9320  -15.6119
            13  O6a O    23.1429  -16.3060
            14  O6a O     9.8193  -14.2452
            15  O6a O    21.9289  -14.2097
            16  C1b C    15.8802  -17.7294
            17  C6a C    14.6674  -18.4330
            18  O0  O    14.6706  -19.8352 #-
            19  O6a O    13.4517  -17.7347
            20  C1b C    12.2412  -14.2381
            21  C6a C    13.4541  -13.5343
            22  O0  O    13.4508  -12.1321 #-
            23  O6a O    14.6698  -14.2328
            24  C1b C    19.5070  -14.2169
            25  C6a C    18.2911  -13.5185
            26  O0  O    18.2881  -12.1163 #-
            27  O6a O    17.0785  -14.2221
            28  Z   Gd   15.5283  -12.3999 #3+
            29  C1a C    28.4461  -15.0902
            30  N1b N    29.6578  -14.3887
            31  C1b C    30.8696  -15.0831
            32  C1c C    32.0814  -14.3815
            33  C1c C    33.2932  -15.0761
            34  C1c C    34.5050  -14.3745
            35  C1c C    35.7168  -15.0690
            36  C1b C    36.9285  -14.3674
            37  O1a O    38.1403  -15.0618
            38  O1a O    32.0783  -12.9784
            39  O1a O    33.2963  -16.4792
            40  O1a O    34.5019  -12.9714
            41  O1a O    35.7198  -16.4721
            42  C1a C    28.4461  -15.0902
            43  N1b N    29.6578  -14.3887
            44  C1b C    30.8696  -15.0831
            45  C1c C    32.0814  -14.3815
            46  C1c C    33.2932  -15.0761
            47  C1c C    34.5050  -14.3745
            48  C1c C    35.7168  -15.0690
            49  C1b C    36.9285  -14.3674
            50  O1a O    38.1403  -15.0618
            51  O1a O    35.7198  -16.4721
            52  O1a O    34.5019  -12.9714
            53  O1a O    33.2963  -16.4792
            54  O1a O    32.0783  -12.9784
BOND        50
            1    10  24 1
            2    10  11 1
            3    24  25 1
            4    25  26 1
            5    11  12 1
            6    25  27 2
            7     4   5 1
            8    12  13 1
            9     2  14 2
            10    5   6 1
            11   12  15 2
            12    1   2 1
            13    7  16 1
            14    6   7 1
            15   16  17 1
            16   17  18 1
            17    7   8 1
            18   17  19 2
            19    2   3 1
            20    4  20 1
            21    8   9 1
            22   20  21 1
            23   21  22 1
            24    9  10 1
            25   21  23 2
            26    3   4 1
            27   29  30 1
            28   30  31 1
            29   31  32 1
            30   32  33 1
            31   33  34 1
            32   34  35 1
            33   35  36 1
            34   36  37 1
            35   32  38 1 #Down
            36   33  39 1 #Down
            37   34  40 1 #Down
            38   35  41 1 #Up
            39   42  43 1
            40   43  44 1
            41   44  45 1
            42   45  46 1
            43   46  47 1
            44   47  48 1
            45   48  49 1
            46   49  50 1
            47   45  54 1 #Down
            48   46  53 1 #Down
            49   47  52 1 #Down
            50   48  51 1 #Up


entry: D01708
name: --- - Fluticasone propionate (JAN/USAN) - Cutivate (TN) - Flovent (TN)
formula: C25H32F2O5S
activity: Anti-inflammatory
remark: Therapeutic category: 1329 2290
kcf:
ATOM        33
            1   C2x C    25.0600  -16.5900
            2   C5x C    25.0600  -17.9900
            3   C2x C    26.2500  -18.6200
            4   C2y C    27.4400  -17.9900
            5   C1z C    27.4400  -16.5900
            6   C2x C    26.2500  -15.8900
            7   C1y C    28.6300  -18.6200
            8   C1x C    29.8900  -17.9900
            9   C1y C    29.8900  -16.5900
            10  C1y C    28.6300  -15.8900
            11  C1y C    31.0800  -15.8900
            12  C1z C    31.0800  -14.4900
            13  C1x C    29.8900  -13.7900
            14  C1y C    28.6300  -14.4900
            15  C1x C    32.3400  -16.3100
            16  C1y C    33.1800  -15.1900
            17  C1z C    32.3400  -14.0700
            18  O5x O    23.8700  -18.6200
            19  C1a C    27.4400  -15.1900
            20  O1a O    27.4400  -13.7900
            21  C1a C    31.0800  -13.0900
            22  C5a C    32.3400  -12.0400
            23  X   F    28.6300  -20.0200
            24  O5a O    33.6000  -11.3400
            25  S2a S    31.2200  -11.4100
            26  C1b C    30.0300  -12.0400
            27  X   F    28.7700  -11.3400
            28  O7a O    34.1600  -13.3000
            29  C1a C    34.5800  -15.1900
            30  C1b C    36.5400  -13.3000
            31  C7a C    35.3500  -12.6000
            32  O7a O    35.3500  -11.2000
            33  C1a C    37.7581  -12.6099
BOND        36
            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    2  18 2
            22    5  19 1 #Up
            23   14  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26    7  23 1 #Down
            27   22  24 2
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   17  28 1 #Down
            32   16  29 1 #Down
            33   30  31 1
            34   28  31 1
            35   31  32 2
            36   30  33 1


entry: D01709
name: --- - Loxoprofen sodium (JP15) - Loxonin (TN) - Lorfenamin (TN)
formula: C15H17O3. 2H2O. Na
remark: Therapeutic category: 1149 2649
kcf:
ATOM        21
            1   Z   Na   29.7256  -17.6160 #+
            2   O0  O    33.9391  -17.9631
            3   O0  O    33.9391  -19.5209
            4   C1x C    19.2721  -18.3320
            5   C1y C    19.7086  -19.6647
            6   C5x C    18.5711  -20.4920
            7   C1x C    17.4337  -19.6647
            8   C1x C    17.8700  -18.3320
            9   C1b C    20.9215  -20.3681
            10  C8y C    22.1370  -19.6694
            11  C8x C    23.3437  -20.3702
            12  C8x C    24.4892  -19.6715
            13  C8y C    24.5151  -18.2693
            14  C8x C    23.3490  -17.5660
            15  C8x C    22.1334  -18.2647
            16  C1c C    25.7776  -17.5707
            17  C6a C    26.9905  -18.2739
            18  C1a C    25.7802  -16.1685
            19  O0  O    28.2061  -17.5753 #-
            20  O6a O    27.0346  -19.6293
            21  O5x O    18.5709  -21.8941
BOND        19
            1     4   5 1
            2     5   6 1
            3     6   7 1
            4    10  11 2
            5    11  12 1
            6    12  13 2
            7    13  14 1
            8    14  15 2
            9    15  10 1
            10    7   8 1
            11   13  16 1
            12    8   4 1
            13   16  17 1
            14   16  18 1
            15    5   9 1
            16   17  19 1
            17   17  20 2
            18    9  10 1
            19    6  21 2


entry: D01710
name: --- - Roxithromycin (JP15/USAN) - Rulide (TN) - RXM
formula: C41H76N2O15
activity: Antibacterial
remark: Same as: C13173 Therapeutic category: 6149
kcf:
ATOM        58
            1   C1y C    27.8733  -17.6213
            2   C1z C    27.8733  -16.2412
            3   C1y C    26.6745  -18.3056
            4   O2a O    29.8072  -18.3465
            5   C1x C    26.6745  -15.5512
            6   O1a O    28.9142  -15.2413
            7   C1a C    29.1715  -16.6798
            8   C1y C    26.6745  -19.6857
            9   C1a C    25.6916  -17.3413
            10  C1y C    31.0469  -17.6213
            11  C1y C    26.6745  -14.1653
            12  O2a O    27.4230  -21.0599
            13  C1y C    25.4873  -20.3758
            14  C1y C    31.7487  -18.8027
            15  O2x O    31.7195  -16.4168
            16  C2y C    25.4873  -13.4810
            17  C1a C    27.8733  -13.4810
            18  C1y C    28.4640  -22.1885
            19  C7x C    24.2885  -19.6857
            20  C1a C    25.4873  -21.7557
            21  C1y C    33.1230  -18.8610
            22  O1a O    31.0762  -20.0132
            23  C1y C    33.0996  -16.4751
            24  C1y C    24.2885  -14.1653
            25  N2b N    25.4873  -12.1009
            26  C1x C    28.4640  -23.5629
            27  O2x O    29.6628  -21.4985
            28  O7x O    24.2885  -18.3056
            29  O7x O    23.2184  -20.6448
            30  C1x C    33.7954  -17.5922
            31  N1c N    33.8305  -19.9722
            32  C1a C    33.7780  -15.2062
            33  C1y C    24.2885  -15.5512
            34  C1a C    23.0956  -13.4810
            35  C1z C    29.6628  -24.2587
            36  C1y C    30.8499  -22.1885
            37  C1y C    23.0956  -17.6213
            38  C1a C    34.7838  -21.3640
            39  C1a C    35.2049  -19.9547
            40  C1z C    23.0956  -16.2412
            41  O1a O    25.4873  -16.2412
            42  C1y C    30.8499  -23.5629
            43  O2a O    29.6628  -25.5979
            44  C1a C    31.1248  -25.2528
            45  C1a C    32.0487  -21.5044
            46  C1b C    21.9026  -18.3056
            47  C1a C    21.8326  -16.8143
            48  O1a O    21.8326  -15.5454
            49  O1a O    32.0487  -24.2587
            50  C1a C    30.7739  -26.5686
            51  C1a C    21.9377  -19.4400
            52  O2a O    24.2784  -11.3959
            53  C1b C    23.0700  -12.0955
            54  O2a O    21.8617  -11.3959
            55  C1b C    20.6534  -12.0955
            56  C1b C    19.4451  -11.3959
            57  O2a O    18.2368  -12.0955
            58  C1a C    17.0285  -11.3959
BOND        60
            1     3   8 1
            2     3   9 1 #Down
            3    10   4 1 #Down
            4     5  11 1
            5     8  12 1 #Down
            6     8  13 1
            7    10  14 1
            8    10  15 1
            9    11  16 1
            10   11  17 1 #Down
            11   18  12 1 #Down
            12   13  19 1
            13   13  20 1 #Up
            14   14  21 1
            15   14  22 1 #Up
            16   15  23 1
            17   16  24 1
            18   16  25 2
            19   18  26 1
            20   18  27 1
            21   19  28 1
            22   19  29 2
            23   21  30 1
            24   21  31 1 #Down
            25   23  32 1 #Down
            26   24  33 1
            27   24  34 1 #Up
            28   26  35 1
            29   27  36 1
            30   28  37 1
            31   31  38 1
            32   31  39 1
            33   33  40 1
            34   33  41 1 #Up
            35   35  42 1
            36   35  43 1 #Down
            37   35  44 1
            38   36  45 1 #Up
            39   37  46 1 #Down
            40   40  47 1 #Down
            41   40  48 1 #Up
            42   42  49 1 #Down
            43   43  50 1
            44   46  51 1
            45   23  30 1
            46   36  42 1
            47   37  40 1
            48   25  52 1
            49    1   2 1
            50   52  53 1
            51    1   3 1
            52   53  54 1
            53    1   4 1 #Down
            54   54  55 1
            55    2   5 1
            56   55  56 1
            57    2   6 1 #Up
            58   56  57 1
            59    2   7 1 #Down
            60   57  58 1


entry: D01711
name: --- - Dental antiformin (JP15) - Sodium hypochlorite (JAN/USP) - Texant (TN)
formula: OCl. Na
activity: Disinfectant
remark: Therapeutic category: 2611 2730
kcf:
ATOM        3
            1   Z   Na   24.8041  -18.2729 #+
            2   X   Cl   29.2727  -18.2035
            3   O0  O    27.8727  -18.2035 #-
BOND        1
            1     2   3 1


entry: D01712
name: --- - Theophylline sodium acetate (JAN)
formula: C7H8N4O2. C2H3O2. Na
remark: Therapeutic category: 2251
kcf:
ATOM        18
            1   C1a C    34.7458  -19.2205
            2   C6a C    35.9575  -18.5210
            3   O0  O    37.1692  -19.2205 #-
            4   O6a O    35.9575  -17.1219
            5   C8y C    27.1410  -17.1585
            6   C8y C    27.1760  -18.6063
            7   C8y C    28.3204  -16.5104
            8   N4x N    25.7575  -16.7848
            9   N4y N    28.3204  -19.3068
            10  N5x N    25.7750  -19.0558
            11  N4y N    29.5229  -17.2111
            12  O5x O    28.3204  -15.1152
            13  C8x C    24.9401  -17.9290
            14  C8y C    29.5229  -18.6063
            15  C1a C    28.3204  -20.7022
            16  C1a C    30.7315  -16.5162
            17  O5x O    30.7315  -19.3068
            18  Z   Na   39.0064  -19.2509 #+
BOND        17
            1     2   3 1
            2     2   4 2
            3     1   2 1
            4     5   6 2
            5     5   7 1
            6     5   8 1
            7     6   9 1
            8     6  10 1
            9     7  11 1
            10    7  12 2
            11    8  13 1
            12    9  14 1
            13    9  15 1
            14   11  16 1
            15   14  17 2
            16   10  13 2
            17   11  14 1


entry: D01713
name: --- - Epinastine hydrochloride (JAN) - Elestat (TN) - Alesion (TN)
formula: C16H15N3. HCl
remark: Therapeutic category: 4490
kcf:
ATOM        20
            1   C1y C    21.2034  -15.2694
            2   C8y C    20.3613  -14.1598
            3   C8y C    20.6965  -12.8030
            4   C1x C    21.9575  -12.2249
            5   N1y N    22.6092  -15.2946
            6   C8y C    23.2111  -12.8472
            7   C8y C    23.4976  -14.2159
            8   C8x C    19.6894  -11.8346
            9   C8x C    18.3474  -12.2227
            10  C8x C    18.0122  -13.5795
            11  C8x C    19.0193  -14.5476
            12  C8x C    24.8288  -14.6530
            13  C8x C    25.8730  -13.7186
            14  C8x C    25.5866  -12.3499
            15  C8x C    24.2552  -11.9128
            16  C1x C    20.7449  -16.5986
            17  N2x N    21.8675  -17.4454
            18  C2y C    23.0196  -16.6394
            19  N1a N    24.3587  -17.1010
            20  X   Cl   28.1400  -15.6100
BOND        22
            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    1  16 1
            19   16  17 1
            20   17  18 2
            21    5  18 1
            22   18  19 1


entry: D01714
name: --- - Iotrolan (JAN/USAN) - Isovist 300 (TN)
formula: C37H48I6N6O18
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7219
kcf:
ATOM        67
            1   C5a C    27.9688  -15.6668
            2   N1b N    26.7549  -14.9679
            3   O5a O    29.1811  -14.9649
            4   C1c C    26.7532  -13.5672
            5   C1c C    25.5393  -12.8683
            6   C1b C    27.9653  -12.8653
            7   O1a O    29.1793  -13.5641
            8   C1b C    24.3271  -13.5702
            9   O1a O    25.5374  -11.4677
            10  O1a O    24.3289  -14.9710
            11  C8y C    28.0249  -17.0676
            12  C8y C    26.7382  -17.7679
            13  C8y C    26.7382  -19.1687
            14  C8y C    27.9541  -19.8691
            15  C8y C    29.1630  -19.1687
            16  C8y C    29.1630  -17.7679
            17  X   I    25.5254  -17.0669
            18  X   I    30.3765  -17.0684
            19  X   I    27.9558  -21.2698
            20  N1c N    25.5223  -19.8942
            21  C5a C    18.2568  -15.6809
            22  N1b N    19.4708  -14.9820
            23  O5a O    17.0447  -14.9790
            24  C8y C    18.2558  -17.0745
            25  C8y C    19.4727  -17.7749
            26  C8y C    19.4727  -19.1757
            27  C8y C    18.2566  -19.8760
            28  C8y C    17.0478  -19.1757
            29  C8y C    17.0478  -17.7749
            30  X   I    18.2549  -21.2768
            31  X   I    15.8341  -17.0755
            32  X   I    20.6855  -17.0740
            33  C5a C    15.8341  -19.8752
            34  N1b N    14.6266  -19.1687
            35  C1c C    13.4168  -19.8691
            36  C1c C    12.2071  -19.1687
            37  O5a O    15.8295  -21.2759
            38  O1a O    12.2071  -17.7679
            39  N1c N    20.6824  -19.8760
            40  C5a C    21.8922  -19.1828
            41  C1b C    23.1019  -19.8832
            42  C5a C    24.3117  -19.1899
            43  C1a C    20.6753  -21.2698
            44  C5a C    30.3673  -19.8619
            45  N1b N    31.5771  -19.1616
            46  C1c C    32.7868  -19.8550
            47  C1c C    33.9966  -19.1546
            48  O5a O    30.3602  -21.2627
            49  O1a O    34.0402  -17.7538
            50  C1a C    25.5303  -21.2950
            51  C1b C    13.4168  -21.2698
            52  C1b C    10.9936  -19.8684
            53  O1a O     9.7810  -19.1673
            54  C1b C    35.2109  -19.8529
            55  O1a O    36.4228  -19.1505
            56  C1b C    32.7899  -21.2557
            57  O5a O    21.8954  -17.7820
            58  O5a O    24.3162  -17.7892
            59  C1c C    19.4727  -13.5813
            60  C1c C    20.6867  -12.8824
            61  O1a O    20.6884  -11.4818
            62  C1b C    21.8988  -13.5843
            63  O1a O    21.8971  -14.9851
            64  C1b C    18.2604  -12.8794
            65  O1a O    17.0464  -13.5782
            66  O1a O    12.2176  -21.9624
            67  O1a O    33.9913  -21.9462
BOND        68
            1    25  32 1
            2    26  39 1
            3    27  28 2
            4    39  40 1
            5    28  33 1
            6    40  41 1
            7    28  29 1
            8    41  42 1
            9    33  34 1
            10   29  24 2
            11   34  35 1
            12   24  25 1
            13   35  36 1
            14   27  30 1
            15   25  26 2
            16   33  37 2
            17   29  31 1
            18   39  43 1
            19   12  17 1
            20   12  13 2
            21   42  20 1
            22   16  18 1
            23   15  44 1
            24   44  45 1
            25   14  19 1
            26   45  46 1
            27   13  14 1
            28   46  47 1
            29   13  20 1
            30   14  15 2
            31   44  48 2
            32   47  49 1
            33   15  16 1
            34   20  50 1
            35   16  11 2
            36    5   9 1
            37   35  51 1
            38    4   5 1
            39    8  10 1
            40   36  52 1
            41    1   3 2
            42   52  53 1
            43    1  11 1
            44   47  54 1
            45    4   6 1
            46   54  55 1
            47   46  56 1
            48    6   7 1
            49    2   4 1
            50   40  57 2
            51    5   8 1
            52   42  58 2
            53    1   2 1
            54   22  59 1
            55   11  12 1
            56   59  60 1
            57   24  21 1
            58   60  61 1
            59   21  22 1
            60   60  62 1
            61   21  23 2
            62   62  63 1
            63   26  27 1
            64   59  64 1
            65   36  38 1
            66   64  65 1
            67   51  66 1
            68   56  67 1


entry: D01715
name: --- - Risarestat - CT 112
formula: C16H21NO4S
remark: Therapeutic category: 3960
kcf:
ATOM        22
            1   C5x C    21.6901  -20.4728
            2   C1y C    22.1230  -19.1511
            3   S2x S    20.9949  -18.3308
            4   C5x C    19.8669  -19.1511
            5   N1x N    20.2997  -20.4728
            6   C8y C    25.7702  -18.4555
            7   C8y C    25.7702  -17.0374
            8   C8x C    24.5555  -19.1589
            9   O2a O    26.9965  -16.3342
            10  C8x C    24.5555  -16.3342
            11  C8y C    23.3293  -18.4555
            12  C1b C    28.2229  -17.0374
            13  C8x C    23.3293  -17.0374
            14  C1b C    29.4376  -16.3401
            15  C1b C    30.6640  -17.0434
            16  O2a O    26.9749  -19.1499
            17  C1b C    28.1787  -18.4539
            18  C1a C    29.3832  -19.1486
            19  C1b C    31.8662  -16.3445
            20  C1a C    33.0725  -17.0363
            21  O5x O    18.5439  -18.7233
            22  O5x O    22.5060  -21.5989
BOND        23
            1     5   1 1
            2    10  13 1
            3    12  14 1
            4    14  15 1
            5    11  13 2
            6     6  16 1
            7    16  17 1
            8     6   7 1
            9     6   8 2
            10    7   9 1
            11    7  10 2
            12    8  11 1
            13    9  12 1
            14   17  18 1
            15    1   2 1
            16   15  19 1
            17    2   3 1
            18   19  20 1
            19    2  11 1
            20    3   4 1
            21    4  21 2
            22    4   5 1
            23    1  22 2


entry: D01716
name: --- - Fleroxacin (JAN/USAN) - Megalone (TN) - Megalocin (TN) - FLRX
formula: C17H18F3N3O3
activity: Antibacterial
remark: Same as: C13179 Therapeutic category: 6241
kcf:
ATOM        26
            1   C8y C    32.4934  -13.8608
            2   C8y C    32.4865  -15.2627
            3   N4y N    33.6981  -15.9735
            4   C8x C    34.9168  -15.2751
            5   C8y C    34.9239  -13.8730
            6   C8y C    33.7123  -13.1693
            7   C8y C    30.0700  -13.8608
            8   C8y C    30.0700  -15.2627
            9   C8y C    31.2879  -15.9674
            10  C8x C    31.2879  -13.1632
            11  N1y N    28.8580  -15.9645
            12  C1x C    27.6424  -15.2605
            13  C1x C    26.4345  -15.9657
            14  N1y N    26.4353  -17.3678
            15  C1x C    27.6439  -18.0648
            16  C1x C    28.8586  -17.3665
            17  O5x O    33.7426  -11.7672
            18  C6a C    36.1357  -13.1814
            19  O6a O    37.3471  -13.8851
            20  O6a O    36.1426  -11.7793
            21  X   F    28.8510  -13.1632
            22  X   F    31.2745  -17.3695
            23  C1a C    25.2155  -18.0529
            24  C1b C    33.6843  -17.3624
            25  C1b C    34.8780  -18.0676
            26  X   F    36.0868  -17.3855
BOND        28
            1     1   2 2
            2     2   3 1
            3    11  12 1
            4    12  13 1
            5    13  14 1
            6    14  15 1
            7    15  16 1
            8    16  11 1
            9     8  11 1
            10    3   4 1
            11    6  17 2
            12    7   8 1
            13    5  18 1
            14    8   9 2
            15   18  19 1
            16    9   2 1
            17   18  20 2
            18    1  10 1
            19    7  21 1
            20   10   7 2
            21    9  22 1
            22    4   5 2
            23   14  23 1
            24    5   6 1
            25    3  24 1
            26    6   1 1
            27   24  25 1
            28   25  26 1


entry: D01717
name: --- - Levocabastine hydrochloride (JAN/USAN) - Livostin (TN)
formula: C26H29FN2O2. HCl
activity: Antihistaminic
remark: Therapeutic category: 1319 1329
kcf:
ATOM        32
            1   C8y C    21.0420  -18.8054
            2   C8x C    19.6403  -18.8054
            3   C8x C    18.9359  -20.0202
            4   C8y C    19.6403  -21.2280
            5   C8x C    21.0420  -21.2280
            6   C8x C    21.7394  -20.0202
            7   C8y C    30.4521  -18.8733
            8   C8x C    29.7479  -20.0846
            9   C8x C    30.4388  -21.2968
            10  C8x C    31.8410  -21.3045
            11  C8x C    32.5525  -20.1001
            12  C8x C    31.8545  -18.8810
            13  C1z C    22.2604  -18.1081
            14  C1x C    22.9507  -19.3662
            15  C1x C    24.3461  -19.3941
            16  C1y C    25.0511  -18.1169
            17  C1x C    24.3538  -16.8353
            18  C1x C    22.9585  -16.9009
            19  N1y N    26.4481  -18.1160
            20  C1x C    27.1415  -19.3332
            21  C1x C    28.5431  -19.3375
            22  C1z C    29.2514  -18.1717
            23  C1y C    28.5509  -16.8378
            24  C1x C    27.1491  -16.9034
            25  C6a C    30.4521  -17.4644
            26  C3b C    21.0420  -17.4107
            27  O6a O    31.1495  -16.2458
            28  O6a O    31.8046  -17.8236
            29  X   F    18.9289  -22.4329
            30  N3a N    19.8233  -16.7064
            31  C1a C    29.2354  -15.6437
            32  X   Cl   25.2751  -21.9960
BOND        34
            1    13  14 1
            2    14  15 1
            3    15  16 1
            4    16  17 1
            5    17  18 1
            6    18  13 1
            7     5   6 2
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   19  20 1
            14   20  21 1
            15   21  22 1
            16   22  23 1
            17   23  24 1
            18   24  19 1
            19   16  19 1 #Up
            20   12   7 1
            21   22  25 1 #Down
            22    6   1 1
            23   13  26 1 #Up
            24   13   1 1 #Down
            25   22   7 1 #Up
            26    1   2 2
            27   25  27 2
            28    2   3 1
            29   25  28 1
            30    3   4 2
            31    4  29 1
            32    4   5 1
            33   26  30 3
            34   23  31 1 #Up


entry: D01718
name: --- - Mofezolac (JAN) - Mofezolac (TN)
formula: C19H17NO5
remark: Therapeutic category: 1149
kcf:
ATOM        25
            1   O2x O    28.2631  -17.3226
            2   C8y C    27.4217  -16.2008
            3   C8y C    26.1129  -16.6215
            4   C8y C    26.1129  -18.0238
            5   N5x N    27.4217  -18.4445
            6   C8y C    22.4668  -14.5180
            7   C8x C    22.4668  -15.9203
            8   C8x C    23.6821  -16.6215
            9   C8y C    24.8975  -15.9203
            10  C8x C    24.8975  -14.5180
            11  C8x C    23.6821  -13.8168
            12  O2a O    21.2514  -13.8168
            13  C1a C    20.0361  -14.5180
            14  C8x C    22.4668  -18.7250
            15  C8y C    22.4668  -20.1273
            16  C8x C    23.6821  -20.8285
            17  C8x C    24.8975  -20.1273
            18  C8y C    24.8975  -18.7250
            19  C8x C    23.6821  -18.0238
            20  O2a O    21.2514  -20.8285
            21  C1a C    20.0361  -20.1273
            22  C1b C    27.8470  -14.8644
            23  C6a C    29.2164  -14.5647
            24  O6a O    30.1525  -15.5920
            25  O6a O    29.6400  -13.2338
BOND        27
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    6  11 1
            12    9   3 1
            13    6  12 1
            14   12  13 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   18   4 1
            22   15  20 1
            23   20  21 1
            24    2  22 1
            25   22  23 1
            26   23  24 2
            27   23  25 1


entry: D01719
name: --- - Iomeprol (JAN/USAN) - Iomeron 300 (TN)
formula: C17H22I3N3O8
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7219
kcf:
ATOM        31
            1   C5a C    18.4526  -10.4251
            2   N1b N    19.6682   -9.7225
            3   O5a O    17.2391   -9.7194
            4   C1b C    20.8745  -10.4251
            5   C1c C    22.0787   -9.7210
            6   C1b C    23.2899  -10.4251
            7   O1a O    24.5013   -9.7210
            8   O1a O    22.0787   -8.3195
            9   C8y C    18.4516  -11.8195
            10  C8y C    19.6701  -12.5167
            11  C8y C    19.6701  -13.9182
            12  C8y C    18.4525  -14.6223
            13  C8y C    17.2421  -13.9182
            14  C8y C    17.2421  -12.5167
            15  X   I    18.4508  -16.0238
            16  X   I    16.0269  -11.8205
            17  X   I    20.8845  -11.8190
            18  C5a C    16.0269  -14.6214
            19  N1b N    14.8178  -13.9112
            20  C1b C    13.6066  -14.6153
            21  C1c C    12.4023  -13.9112
            22  C1b C    11.1910  -14.6153
            23  O1a O     9.9797  -13.9112
            24  O5a O    16.0223  -16.0229
            25  O1a O    12.4023  -12.5097
            26  N1c N    20.8814  -14.6223
            27  C1a C    22.0857  -13.9253
            28  C5a C    20.8743  -16.0168
            29  O5a O    19.6562  -16.7079
            30  C1b C    22.0784  -16.7201
            31  O1a O    22.0715  -18.1216
BOND        31
            1     6   7 1
            2     5   8 1
            3     9   1 1
            4     1   2 1
            5     1   3 2
            6     2   4 1
            7     4   5 1
            8    11  12 1
            9    21  25 1
            10   10  17 1
            11   11  26 1
            12   12  13 2
            13   26  27 1
            14   13  18 1
            15   13  14 1
            16   18  19 1
            17   14   9 2
            18   19  20 1
            19    9  10 1
            20   20  21 1
            21   21  22 1
            22   12  15 1
            23   22  23 1
            24   10  11 2
            25   18  24 2
            26   14  16 1
            27   26  28 1
            28   28  29 2
            29   28  30 1
            30   30  31 1
            31    5   6 1


entry: D01720
name: --- - Amorolfine hydrochloride (JAN) - Pekiron (TN)
formula: C21H35NO. HCl
remark: Therapeutic category: 2659
kcf:
ATOM        24
            1   C8y C    17.0998  -17.3199
            2   C8x C    17.0998  -18.7218
            3   C8x C    18.3179  -19.4261
            4   C8y C    19.5288  -18.7218
            5   C8x C    19.5288  -17.3199
            6   C8x C    18.3179  -16.6224
            7   C1b C    20.7349  -19.4192
            8   C1c C    21.9395  -18.7147
            9   C1b C    23.1512  -19.4121
            10  N1y N    24.3630  -18.7076
            11  C1x C    25.5745  -19.4050
            12  C1y C    26.7863  -18.7006
            13  C1a C    21.9365  -17.3127
            14  C1x C    24.3599  -17.3057
            15  C1y C    25.5733  -16.6057
            16  O2x O    26.7899  -17.3003
            17  C1d C    15.8812  -16.6224
            18  C1b C    15.8793  -15.2204
            19  C1a C    14.6670  -17.3214
            20  C1a C    16.8733  -15.6277
            21  C1a C    14.6633  -14.5176
            22  C1a C    25.5702  -15.2033
            23  C1a C    27.9767  -19.3880
            24  X   Cl   29.9321  -17.1918
BOND        24
            1     4   5 1
            2    11  12 1
            3     5   6 2
            4     6   1 1
            5     8  13 1
            6    10  14 1
            7     4   7 1
            8    14  15 1
            9    12  16 1
            10    7   8 1
            11   15  16 1
            12    1   2 2
            13    1  17 1
            14    8   9 1
            15   17  18 1
            16    2   3 1
            17   17  19 1
            18    9  10 1
            19   17  20 1
            20    3   4 2
            21   18  21 1
            22   10  11 1
            23   15  22 1 #Down
            24   12  23 1 #Down


entry: D01721
name: --- - Pentaerythritol tetranitrate (JAN) - Pentritol tempules (TN)
formula: C5H8N4O12
activity: Vasodilator
remark: Therapeutic category: 2171
kcf:
ATOM        21
            1   C1d C    24.5870  -19.2183
            2   C1b C    23.1870  -19.2183
            3   C1b C    25.9870  -19.2183
            4   C1b C    24.5799  -17.8183
            5   C1b C    24.5799  -20.6183
            6   O2a O    25.7888  -17.1122
            7   O2a O    26.6870  -20.4308
            8   O2a O    23.3640  -21.3122
            9   O2a O    22.4870  -18.0058
            10  N2b N    25.7817  -15.7122 #+
            11  N2b N    28.0870  -20.4308 #+
            12  N2b N    23.3569  -22.7122 #+
            13  N2b N    21.0870  -18.0058 #+
            14  O0  O    27.2006  -14.8660 #-
            15  O3a O    24.5658  -15.0183
            16  O0  O    20.3870  -16.7935 #-
            17  O3a O    20.3870  -19.2183
            18  O0  O    28.7870  -21.6431 #-
            19  O3a O    28.7870  -19.2183
            20  O0  O    22.1410  -23.4061 #-
            21  O3a O    24.5658  -23.4183
BOND        20
            1     7  11 1
            2     4   6 1
            3     8  12 1
            4     1   2 1
            5     9  13 1
            6     3   7 1
            7    10  14 1
            8     1   4 1
            9    10  15 2
            10    5   8 1
            11   13  16 1
            12   13  17 2
            13    2   9 1
            14   11  18 1
            15    1   5 1
            16   11  19 2
            17    6  10 1
            18   12  20 1
            19    1   3 1
            20   12  21 2


entry: D01722
name: --- - Romurtide (JAN) - Nopia (TN)
formula: C43H78N6O13
remark: Therapeutic category: 3399
kcf:
ATOM        62
            1   N1b N    17.3187  -24.3028
            2   C1c C    18.5230  -23.5310
            3   C6a C    18.5205  -22.1365
            4   O6a O    19.7249  -21.4351
            5   O6a O    17.3045  -21.4391
            6   C1b C    19.7391  -24.2284
            7   C1b C    20.9468  -23.5295
            8   C1b C    22.1599  -24.2260
            9   C1b C    23.3643  -23.5246
            10  N1b N    24.5774  -24.2210
            11  C5a C    25.7880  -23.5231
            12  C1b C    27.2111  -24.2196
            13  C1b C    28.4120  -23.5242
            14  C1a C    30.3253  -24.2206
            15  O5a O    25.7793  -22.1248
            16  C1y C     7.6459  -15.5015
            17  C1y C     6.3643  -14.7987
            18  C1y C     6.3953  -13.3944
            19  O2x O     7.6579  -12.6990
            20  C1y C     8.8228  -13.3621
            21  C1y C     8.7955  -14.8070
            22  O2a O     7.6414  -16.9002
            23  O1a O    10.0893  -12.7208
            24  O1a O     5.2205  -15.4975
            25  C1b C     5.2381  -12.6831
            26  O1a O     5.2462  -11.2814
            27  N1b N    10.0781  -15.5083
            28  C5a C    11.2951  -14.8148
            29  O5a O    12.5080  -15.5161
            30  C1a C    11.2997  -13.4130
            31  C1c C     8.8540  -17.9586
            32  C5a C     8.8494  -19.3604
            33  C1a C    10.0712  -17.2582
            34  N1b N    10.0597  -20.0531
            35  C1c C    10.0643  -21.4518
            36  C5a C    11.2745  -22.1515
            37  N1b N    11.2791  -23.5503
            38  C1c C    12.4894  -24.2429
            39  C5a C    12.4911  -25.6447
            40  N1a N    13.7069  -26.3477
            41  O5a O    11.2771  -26.3507
            42  O5a O     7.6361  -20.0605
            43  C1b C    13.7034  -23.5440
            44  O5a O    12.4879  -21.4443
            45  C1a C     8.8509  -22.1590
            46  C1b C    14.9018  -24.2424
            47  C5a C    16.1075  -23.5433
            48  O5a O    16.1035  -22.1416
            49  C1b C    27.2111  -24.2196
            50  C1b C    28.4120  -23.5242
            51  C1b C    27.2111  -24.2196
            52  C1b C    28.4120  -23.5242
            53  C1b C    27.2111  -24.2196
            54  C1b C    28.4120  -23.5242
            55  C1b C    27.2111  -24.2196
            56  C1b C    28.4120  -23.5242
            57  C1b C    27.2111  -24.2196
            58  C1b C    28.4120  -23.5242
            59  C1b C    27.2111  -24.2196
            60  C1b C    28.4120  -23.5242
            61  C1b C    27.2111  -24.2196
            62  C1b C    28.4120  -23.5242
BOND        62
            1     8   9 1
            2    16  17 1
            3    17  18 1
            4    18  19 1
            5    19  20 1
            6    20  21 1
            7    21  16 1
            8    16  22 1 #Up
            9     3   5 2
            10   20  23 1 #Up
            11   17  24 1 #Down
            12    9  10 1
            13   18  25 1 #Up
            14   25  26 1
            15    2   3 1
            16   21  27 1 #Down
            17   27  28 1
            18   10  11 1
            19   28  29 2
            20   28  30 1
            21    2   6 1 #Up
            22   22  31 1
            23   31  32 1
            24   31  33 1 #Down
            25   32  34 1
            26    2   1 1
            27   34  35 1
            28   35  36 1
            29   36  37 1
            30   37  38 1
            31    6   7 1
            32   38  39 1 #Down
            33   39  40 1
            34   39  41 2
            35   32  42 2
            36    3   4 1
            37   38  43 1
            38   11  15 2
            39   36  44 2
            40   35  45 1 #Down
            41    7   8 1
            42   43  46 1
            43   46  47 1
            44   47  48 2
            45   47   1 1
            46   11  12 1
            47   12  13 1
            48   13  49 1
            49   49  50 1
            50   50  51 1
            51   51  52 1
            52   52  53 1
            53   53  54 1
            54   54  55 1
            55   55  56 1
            56   56  57 1
            57   57  58 1
            58   58  59 1
            59   59  60 1
            60   60  61 1
            61   61  62 1
            62   62  14 1


entry: D01723
name: --- - Calcium bromide (JAN) - Brocal (TN)
formula: CaBr2
remark: Same as: C13189 Therapeutic category: 1126
comment: Component of Neo vitacain (TN)
kcf:
ATOM        3
            1   X   Br   22.7907  -15.1272
            2   Z   Ca   24.4002  -15.1461
            3   X   Br   26.2206  -15.1525
BOND        2
            1     1   2 1
            2     2   3 1


entry: D01724
name: --- - Aluminum potassium sulfate (JP15) - Alum, potassium (USP) - Aluminum potassium sulfate (TN)
formula: 12H2O. 2SO4. Al. K
activity: Astringent [topical]
remark: Therapeutic category: 2649
comment: Component of Neotriozinc (TN), Zione (TN)
kcf:
ATOM        24
            1   S4a S    24.0161  -13.6974
            2   O3c O    24.0090  -12.2975
            3   O3c O    24.0090  -15.0972
            4   O0  O    25.4160  -13.6974 #-
            5   O0  O    22.6163  -13.6974 #-
            6   Z   Al   19.5500  -12.9418 #3+
            7   Z   K    19.6208  -14.9568 #+
            8   O0  O    30.1700  -13.7900
            9   S4a S    24.0161  -13.6974
            10  O3c O    24.0090  -12.2975
            11  O3c O    24.0090  -15.0972
            12  O0  O    25.4160  -13.6974 #-
            13  O0  O    22.6163  -13.6974 #-
            14  O0  O    30.1700  -13.7900
            15  O0  O    30.1700  -13.7900
            16  O0  O    30.1700  -13.7900
            17  O0  O    30.1700  -13.7900
            18  O0  O    30.1700  -13.7900
            19  O0  O    30.1700  -13.7900
            20  O0  O    30.1700  -13.7900
            21  O0  O    30.1700  -13.7900
            22  O0  O    30.1700  -13.7900
            23  O0  O    30.1700  -13.7900
            24  O0  O    30.1700  -13.7900
BOND        8
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     9  10 2
            6     9  11 2
            7     9  12 1
            8     9  13 1


entry: D01725
name: --- - Ferrous sulfate (JP15/USP) - Tetucur-S (TN)
formula: 7H2O. SO4. Fe
activity: Hematinic
remark: Therapeutic category: 3222
comment: Component of Folvron (TN)
kcf:
ATOM        13
            1   S4a S    21.9156  -16.5614
            2   O3c O    21.8851  -15.1616
            3   O3c O    21.8851  -17.9612
            4   O0  O    23.3622  -16.5614 #-
            5   O0  O    20.5625  -16.5614 #-
            6   Z   Fe   25.0851  -16.5684 #2+
            7   O0  O    30.1776  -16.4504
            8   O0  O    30.1776  -16.4504
            9   O0  O    30.1776  -16.4504
            10  O0  O    30.1776  -16.4504
            11  O0  O    30.1776  -16.4504
            12  O0  O    30.1776  -16.4504
            13  O0  O    30.1776  -16.4504
BOND        4
            1     1   3 2
            2     1   4 1
            3     1   5 1
            4     1   2 2


entry: D01726
name: --- - Potassium sulfate (JP15)
formula: SO4. 2K
remark: Same as: C13192 Therapeutic category: 2355
comment: Conponent of Artificial carsbad salt (TN)
kcf:
ATOM        7
            1   S4a S    21.9118  -18.2678
            2   O3c O    21.8814  -16.8681
            3   O3c O    21.8814  -19.6675
            4   O0  O    23.3583  -18.2678 #-
            5   O0  O    20.5588  -18.2678 #-
            6   Z   K    18.4310  -18.2651 #+
            7   Z   K    25.4090  -18.3489 #+
BOND        4
            1     1   3 2
            2     1   4 1
            3     1   5 1
            4     1   2 2


entry: D01727
name: --- - Chlorinated lime (JP15) - Calcium hypochlorite
formula: 2OCl. Ca
kcf:
ATOM        5
            1   X   Cl   27.9653  -16.7088
            2   O0  O    29.3653  -16.7088 #-
            3   Z   Ca   24.7185  -16.8395 #2+
            4   X   Cl   27.9653  -16.7088
            5   O0  O    29.3653  -16.7088 #-
BOND        2
            1     1   2 1
            2     4   5 1


entry: D01729
name: --- - 3-Iodobenzylguanidine (123I) (JAN) - m-Iodobenzylguanidine-123I - MyoMIBG-I 123 (TN)
formula: C8H10IN3
remark: Therapeutic category: 4300
kcf:
ATOM        12
            1   C8x C    23.6600  -15.8900
            2   C8x C    22.4700  -15.1900
            3   C8y C    23.6600  -17.2900
            4   C8x C    21.2800  -15.8900
            5   C8x C    22.4700  -17.9200
            6   C8y C    21.2800  -17.2200
            7   X   I    19.7400  -18.2700
            8   C1b C    24.8500  -17.9900
            9   N1b N    25.9700  -17.2900
            10  C2c C    27.1600  -17.9900
            11  N1a N    28.3500  -17.2900
            12  N2a N    27.1600  -19.3200
BOND        12
            1     4   6 2
            2     5   6 1
            3     6   7 1
            4     3   8 1
            5     1   2 2
            6     8   9 1
            7     1   3 1
            8     9  10 1
            9     2   4 1
            10   10  11 1
            11    3   5 2
            12   10  12 2


entry: D01730
name: --- - Silver nitrate (JP15/USP) - Silver nitrate (TN)
formula: NO3. Ag
activity: Anti-infective, topical
remark: Therapeutic category: 1314 2663
kcf:
ATOM        5
            1   O0  O    25.9140  -18.2037 #-
            2   N2b N    24.7023  -17.5069 #+
            3   O0  O    23.3530  -18.2079 #-
            4   O3a O    24.6887  -16.1025
            5   Z   Ag   21.0556  -18.1075 #+
BOND        3
            1     2   3 1
            2     2   4 2
            3     1   2 1


entry: D01731
name: --- - Potassium bromide (JP15) - Potassium bromide (TN)
formula: Br. K
remark: Same as: C13198 Therapeutic category: 1126
kcf:
ATOM        2
            1   X   Br   23.9350  -16.1975 #-
            2   Z   K    22.4617  -16.1600 #+
BOND        0


entry: D01732
name: --- - Sodium sulfate, dried (JAN) - Sodium sulfate anhydous - Sodium sulfate, dried (TN)
formula: SO4. 2Na
activity: Regulator [calcium]
remark: Same as: C13199 Therapeutic category: 2355
comment: Component of Artificial carlsbad salt (TN)
kcf:
ATOM        7
            1   S4a S    28.1661  -18.1450
            2   O3c O    28.1590  -16.7450
            3   O3c O    28.1590  -19.5450
            4   O0  O    29.5661  -18.1450 #-
            5   O0  O    26.7661  -18.1450 #-
            6   Z   Na   24.4201  -18.1358 #+
            7   Z   Na   31.6301  -18.2284 #+
BOND        4
            1     1   3 2
            2     1   4 1
            3     1   5 1
            4     1   2 2


entry: D01733
name: --- - Anecortave acetate (JAN/USAN)
formula: C23H30O5
activity: Treatment of diseases involving neovascularization of the eye [angiostatic steroid]
kcf:
ATOM        28
            1   C2y C    19.4531  -18.6901
            2   C1y C    20.6463  -19.3701
            3   C1z C    18.2785  -19.3825
            4   C2x C    19.4408  -17.3115
            5   C1y C    21.8332  -18.6778
            6   C1x C    20.6682  -20.7390
            7   C2y C    18.2785  -20.7425
            8   C1x C    17.0979  -18.7085
            9   C1a C    18.1983  -18.0347
            10  C1x C    20.6339  -16.6191
            11  C1z C    21.8393  -17.2991
            12  C1x C    24.2194  -18.6839
            13  C1x C    19.4655  -21.4225
            14  C2x C    17.0979  -21.4286
            15  C1x C    15.9356  -19.3825
            16  C1z C    23.0324  -16.6128
            17  C1a C    21.7962  -15.8341
            18  C1x C    24.2255  -17.3054
            19  C5x C    15.9356  -20.7425
            20  C5a C    23.0387  -14.8452
            21  O5x O    14.7672  -21.4101
            22  C1b C    24.2070  -14.1838
            23  O5a O    21.8764  -14.1715
            24  O1a O    24.2146  -15.9146
            25  O7a O    25.3641  -14.8650
            26  C7a C    26.5324  -14.2036
            27  C1a C    27.6893  -14.8849
            28  O7a O    26.5437  -12.8612
BOND        31
            1     3   8 1
            2     3   9 1 #Up
            3     4  10 1
            4     5  11 1
            5     5  12 1
            6     6  13 1
            7     7  14 2
            8     8  15 1
            9    11  16 1
            10   11  17 1 #Up
            11   12  18 1
            12   14  19 1
            13   16  20 1 #Up
            14   19  21 2
            15   20  22 1
            16   20  23 2
            17    7  13 1
            18   10  11 1
            19   15  19 1
            20   16  18 1
            21   16  24 1 #Down
            22    1   2 1
            23   22  25 1
            24    1   3 1
            25   25  26 1
            26    1   4 2
            27   26  27 1
            28    2   5 1
            29   26  28 2
            30    2   6 1
            31    3   7 1


entry: D01734
name: --- - Sorivudine (JAN/USAN) - Bravavir (TN)
formula: C11H13BrN2O6
activity: Antiviral
remark: Therapeutic category: 6250
kcf:
ATOM        20
            1   C1y C    24.5087  -18.3862
            2   N4y N    25.8480  -17.9593
            3   O2x O    23.3623  -17.5147
            4   C1y C    24.0935  -19.6846
            5   C8y C    26.8599  -18.9067
            6   C8x C    26.1638  -16.6024
            7   C1y C    22.2335  -18.3569
            8   C1y C    22.6721  -19.6846
            9   N4x N    28.2050  -18.5090
            10  O5x O    26.5498  -20.2811
            11  C8y C    27.5032  -16.1870
            12  C1b C    20.9000  -17.9359
            13  C8y C    28.5092  -17.1579
            14  C2b C    27.8190  -14.8301
            15  O1a O    19.8649  -18.8774
            16  O5x O    29.8486  -16.7544
            17  C2b C    29.1578  -14.4234
            18  X   Br   29.4751  -13.0606
            19  O1a O    21.8524  -20.8188
            20  O1a O    24.9186  -20.8147
BOND        21
            1     2   5 1
            2     2   6 1
            3     3   7 1
            4     4   8 1
            5     5   9 1
            6     5  10 2
            7     6  11 2
            8     7  12 1 #Up
            9     9  13 1
            10   11  14 1
            11   12  15 1
            12   13  16 2
            13    7   8 1
            14   11  13 1
            15   14  17 2
            16    1   2 1 #Up
            17   17  18 1
            18    1   3 1
            19    1   4 1
            20    8  19 1 #Down
            21    4  20 1 #Up


entry: D01735
name: --- - Tocopherol acetate (JP15) - Juvela (TN)
formula: C31H52O3
activity: Vitamin E supplement
remark: Therapeutic category: 3150
comment: Component of Hemonase (TN)
kcf:
ATOM        34
            1   C8y C    11.2169  -13.9277
            2   C8y C    11.2169  -12.5630
            3   O2x O    12.4531  -14.6498
            4   C8y C    10.0481  -14.6498
            5   C1x C    12.4531  -11.8470
            6   C8y C    10.0481  -11.8470
            7   C1z C    13.6278  -13.9277
            8   C8y C     8.8120  -13.9277
            9   C1a C    10.0481  -16.0387
            10  C1x C    13.6278  -12.5630
            11  C8y C     8.8120  -12.5630
            12  C1a C    10.0481  -10.4580
            13  C1b C    14.8763  -14.6498
            14  C1a C    13.6278  -15.2984
            15  C1a C     7.5820  -14.6498
            16  O7a O     7.5820  -11.8470
            17  C1b C    16.0633  -14.0132
            18  C1b C    17.2810  -14.7230
            19  C1c C    18.5172  -14.0867
            20  C1b C    19.7226  -14.8088
            21  C1a C    18.5599  -12.7343
            22  C1b C    20.9466  -14.0867
            23  C1b C    22.1276  -14.8088
            24  C1c C    23.3635  -14.1234
            25  C1b C    24.5568  -14.8760
            26  C1a C    23.3635  -12.7772
            27  C1b C    25.7684  -14.1969
            28  C1b C    26.9494  -14.9435
            29  C1c C    28.1733  -14.1969
            30  C1a C    28.1733  -12.8507
            31  C1a C    29.3665  -14.9435
            32  C7a C     6.3116  -12.5746
            33  C1a C     5.0463  -11.8379
            34  O7a O     6.3063  -14.0384
BOND        35
            1     1   4 2
            2     2   5 1
            3     2   6 2
            4     3   7 1
            5     4   8 1
            6     4   9 1
            7     5  10 1
            8     6  11 1
            9     6  12 1
            10    7  13 1 #Up
            11    7  14 1
            12    8  15 1
            13   11  16 1
            14   13  17 1
            15   17  18 1
            16   18  19 1
            17   19  20 1
            18   19  21 1 #Down
            19   20  22 1
            20   22  23 1
            21   23  24 1
            22   24  25 1
            23   24  26 1 #Down
            24   25  27 1
            25   27  28 1
            26   28  29 1
            27   29  30 1
            28   29  31 1
            29    7  10 1
            30    8  11 2
            31   16  32 1
            32    1   2 1
            33   32  33 1
            34    1   3 1
            35   32  34 2


entry: D01736
name: --- - Cefbuperazone sodium (JP15) - Keiperazon (TN) - CBPZ
formula: C22H28N9O9S2. Na
remark: Therapeutic category: 6132 7290
comment: semisynthetic cephalosporin: broad spectrum cephalosporin
kcf:
ATOM        43
            1   C1y C    29.6656  -15.4841
            2   N1y N    29.6656  -16.8577
            3   C2y C    30.8552  -17.5443
            4   C2y C    32.0448  -16.8577
            5   C1x C    32.0448  -15.4841
            6   S2x S    30.8552  -14.7973
            7   C1z C    28.2919  -15.4841
            8   C5x C    28.2919  -16.8577
            9   N1b N    27.1025  -14.7973
            10  C5a C    25.9127  -15.4841
            11  O5a O    25.9127  -16.8577
            12  O5x O    27.1025  -17.5443
            13  C1c C    24.7232  -14.7973
            14  C1b C    33.2526  -17.5553
            15  C6a C    30.8552  -18.9177
            16  O6a O    29.6491  -19.6142
            17  O0  O    32.0281  -19.5950 #-
            18  N1b N    23.5144  -15.4955
            19  C5a C    22.3263  -14.8095
            20  N1y N    21.1382  -15.4955
            21  C1c C    24.7232  -13.0757
            22  S2a S    34.4470  -16.8659
            23  C8y C    35.6363  -17.5528
            24  N5x N    36.0161  -18.8694
            25  N5x N    37.3897  -18.9193
            26  N5x N    37.8617  -17.6284
            27  N4y N    36.7797  -16.7807
            28  O2a O    28.2919  -13.2857
            29  C1a C    29.4789  -12.6004
            30  O1a O    25.9058  -12.3930
            31  C1a C    23.5408  -12.3931
            32  O5a O    22.3264  -13.4363
            33  C5x C    19.9586  -14.8144
            34  C5x C    18.7686  -15.5013
            35  N1y N    18.7685  -16.8754
            36  C1x C    19.9483  -17.5564
            37  C1x C    21.1381  -16.8696
            38  O5x O    19.9586  -13.4365
            39  O5x O    17.5604  -14.8035
            40  C1b C    17.5640  -17.5710
            41  C1a C    16.3794  -16.8872
            42  C1a C    36.7590  -15.3882
            43  Z   Na   33.4323  -19.5842 #+
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: D01737
name: --- - Nandrolone furylpropionate (JAN)
formula: C25H32O4
remark: Therapeutic category: 2443
kcf:
ATOM        29
            1   C8x C    32.3277  -16.3372
            2   C8x C    32.7560  -15.0291
            3   O2x O    31.6396  -14.2173
            4   C8y C    30.5234  -15.0291
            5   C8x C    30.9516  -16.3372
            6   C1x C    18.5817  -19.0531
            7   C5x C    18.5817  -20.4291
            8   C2x C    19.7763  -21.1172
            9   C1x C    19.7763  -18.3651
            10  C1y C    20.9638  -19.0531
            11  C2y C    20.9580  -20.4291
            12  C1x C    22.1468  -21.1222
            13  C1x C    23.3414  -20.4393
            14  C1y C    22.1586  -18.3702
            15  C1y C    23.3416  -19.0661
            16  C1x C    23.3641  -16.3213
            17  C1x C    22.1698  -16.9976
            18  C1z C    24.5469  -17.0172
            19  C1y C    24.5772  -18.3854
            20  C1x C    26.9703  -18.4376
            21  C1x C    26.9170  -17.0459
            22  C1y C    25.7402  -16.3475
            23  O7a O    25.7569  -14.9715
            24  C7a C    26.9568  -14.2979
            25  O7a O    26.9268  -12.9220
            26  C1b C    28.1401  -15.0003
            27  C1b C    29.3401  -14.3267
            28  C1a C    24.5378  -15.6408
            29  O5x O    17.3904  -21.1179
BOND        33
            1    15  19 1
            2    18  16 1
            3    16  17 1
            4    17  14 1
            5     8  11 2
            6    10   9 1
            7     9   6 1
            8     4   5 2
            9     5   1 1
            10   18  19 1
            11   20  21 1
            12   21  22 1
            13   22  18 1
            14   19  20 1
            15   22  23 1 #Up
            16    1   2 2
            17   23  24 1
            18   10  11 1
            19   24  25 2
            20   11  12 1
            21   24  26 1
            22   12  13 1
            23   26  27 1
            24   27   4 1
            25   13  15 1
            26   18  28 1 #Up
            27   14  10 1
            28    2   3 1
            29    3   4 1
            30    7  29 2
            31    6   7 1
            32    7   8 1
            33   14  15 1


entry: D01738
name: --- - Perflutren (JAN/USAN) - Definity (TN)
formula: C3F8
activity: Ultrasound contrast imaging in cardiology and radiology [diagnostic]
remark: Therapeutic category: 7290
kcf:
ATOM        11
            1   X   F    21.7989  -19.1842
            2   C1d C    23.1989  -19.1842
            3   C1d C    24.5989  -19.1842
            4   C1d C    25.9989  -19.1842
            5   X   F    27.3989  -19.1842
            6   X   F    25.9989  -17.7842
            7   X   F    24.5989  -17.7842
            8   X   F    23.1989  -17.7842
            9   X   F    23.1989  -20.5842
            10  X   F    24.5989  -20.5842
            11  X   F    25.9989  -20.5842
BOND        10
            1     4   6 1
            2     1   2 1
            3     3   7 1
            4     3   4 1
            5     2   8 1
            6     2   9 1
            7     4   5 1
            8     3  10 1
            9     2   3 1
            10    4  11 1


entry: D01739
name: --- - Cefmenoxime hydrochloride (JP15/USP) - Bestcall (TN) - CMX
formula: (C16H17N9O5S3)2. HCl
activity: Antibacterial
remark: Same as: C13206 Therapeutic category: 1317 1325 6132
kcf:
ATOM        67
            1   X   Cl   25.9000   -6.7900
            2   C1y C    14.8400   -5.8800
            3   N1y N    14.8400   -7.2800
            4   C2y C    16.0300   -7.9800
            5   C2y C    17.2200   -7.2800
            6   C1x C    17.2200   -5.8800
            7   S2x S    16.0300   -5.1800
            8   C1y C    13.4400   -5.8800
            9   C5x C    13.4400   -7.2800
            10  N1b N    12.1800   -5.1800
            11  C5a C    10.9900   -5.8800
            12  O5a O    10.9900   -7.2800
            13  O5x O    12.1800   -7.9800
            14  C2c C     9.8000   -5.1800
            15  C1b C    18.4800   -7.9800
            16  C8y C     8.5400   -5.8800
            17  S2a S    19.6700   -7.2800
            18  C8y C    20.8600   -7.9800
            19  C8x C     7.4900   -5.0400
            20  S2x S     6.3000   -5.8100
            21  C8y C     6.7200   -7.2100
            22  N5x N     8.1200   -7.2100
            23  N2b N     9.8000   -3.7800
            24  O2a O     8.6100   -3.0800
            25  C1a C     7.4200   -3.7100
            26  N5x N    21.2800   -9.3100
            27  N5x N    22.6800   -9.3100
            28  N5x N    23.1700   -7.9800
            29  N4y N    21.9800   -7.1400
            30  C6a C    16.0300   -9.3800
            31  O6a O    17.2200  -10.0800
            32  O6a O    14.7700  -10.0800
            33  C1a C    21.9800   -5.8100
            34  N1a N     5.8800   -8.3300
            35  C1y C    14.8400   -5.8800
            36  N1y N    14.8400   -7.2800
            37  C2y C    16.0300   -7.9800
            38  C2y C    17.2200   -7.2800
            39  C1x C    17.2200   -5.8800
            40  S2x S    16.0300   -5.1800
            41  C1b C    18.4800   -7.9800
            42  S2a S    19.6700   -7.2800
            43  C8y C    20.8600   -7.9800
            44  N5x N    21.2800   -9.3100
            45  N5x N    22.6800   -9.3100
            46  N5x N    23.1700   -7.9800
            47  N4y N    21.9800   -7.1400
            48  C1a C    21.9800   -5.8100
            49  C6a C    16.0300   -9.3800
            50  O6a O    17.2200  -10.0800
            51  O6a O    14.7700  -10.0800
            52  C5x C    13.4400   -7.2800
            53  C1y C    13.4400   -5.8800
            54  N1b N    12.1800   -5.1800
            55  C5a C    10.9900   -5.8800
            56  O5a O    10.9900   -7.2800
            57  C2c C     9.8000   -5.1800
            58  C8y C     8.5400   -5.8800
            59  C8x C     7.4900   -5.0400
            60  S2x S     6.3000   -5.8100
            61  C8y C     6.7200   -7.2100
            62  N5x N     8.1200   -7.2100
            63  N1a N     5.8800   -8.3300
            64  N2b N     9.8000   -3.7800
            65  O2a O     8.6100   -3.0800
            66  C1a C     7.4200   -3.7100
            67  O5x O    12.1800   -7.9800
BOND        72
            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   15  17 1
            18   17  18 1
            19   16  19 2
            20   19  20 1
            21   20  21 1
            22   21  22 2
            23   16  22 1
            24   14  23 2
            25   23  24 1
            26   24  25 1
            27   18  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   18  29 1
            32    4  30 1
            33   30  31 1
            34   30  32 2
            35   29  33 1
            36   21  34 1
            37   35  36 1
            38   36  37 1
            39   37  38 2
            40   38  39 1
            41   39  40 1
            42   35  40 1
            43   35  53 1
            44   53  52 1
            45   36  52 1
            46   53  54 1 #Up
            47   54  55 1
            48   55  56 2
            49   52  67 2
            50   55  57 1
            51   38  41 1
            52   57  58 1
            53   41  42 1
            54   42  43 1
            55   58  59 2
            56   59  60 1
            57   60  61 1
            58   61  62 2
            59   58  62 1
            60   57  64 2
            61   64  65 1
            62   65  66 1
            63   43  44 2
            64   44  45 1
            65   45  46 2
            66   46  47 1
            67   43  47 1
            68   37  49 1
            69   49  50 1
            70   49  51 2
            71   47  48 1
            72   61  63 1


entry: D01740
name: --- - Barbital (JP15) - Barbital (TN)
formula: C8H12N2O3
remark: Therapeutic category: 1125
kcf:
ATOM        13
            1   C1z C    21.9896  -17.3559
            2   C5x C    21.9896  -18.7559
            3   C5x C    20.7763  -16.6558
            4   C1b C    23.3780  -17.3559
            5   C1b C    21.9838  -15.9616
            6   N1x N    20.7763  -19.4617
            7   O5x O    23.2030  -19.4617
            8   N1x N    19.5571  -17.3559
            9   O5x O    20.7763  -15.2558
            10  C1a C    24.0663  -16.1483
            11  C1a C    23.1971  -15.2615
            12  C5x C    19.5571  -18.7559
            13  O5x O    18.3438  -19.4617
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 2
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12   12  13 2
            13    8  12 1


entry: D01741
name: --- - Celiprolol hydrochloride (JAN/USAN) - Selectol (TN)
formula: C20H33N3O4. HCl
activity: Anti-adrenergic [beta-receptor]
remark: Therapeutic category: 2149
kcf:
ATOM        28
            1   C8y C    25.8368  -14.5800
            2   C8y C    24.6508  -15.2776
            3   C8x C    27.0925  -15.2776
            4   O2a O    25.8368  -13.1848
            5   C5a C    23.4648  -14.6498
            6   C8x C    27.0925  -16.6729
            7   C1b C    27.0227  -12.4871
            8   C8y C    25.9065  -17.3705
            9   C1a C    22.2788  -15.3474
            10  O5a O    23.4648  -13.2545
            11  C1c C    28.2785  -13.1848
            12  N1b N    25.9065  -18.8356
            13  C1b C    29.4644  -12.4174
            14  O1a O    28.2785  -14.5800
            15  C5a C    24.7205  -19.5332
            16  N1b N    30.7202  -13.1150
            17  N1c N    23.4648  -18.9053
            18  O5a O    24.7205  -20.9285
            19  C1d C    31.9759  -12.4174
            20  C1b C    22.3486  -19.6030
            21  C1a C    21.0929  -18.9053
            22  C1a C    33.1619  -11.7197
            23  C1b C    23.4648  -17.4403
            24  C8x C    24.6508  -16.6729
            25  C1a C    22.2788  -16.7427
            26  C1a C    32.6627  -13.6178
            27  C1a C    31.2725  -11.1878
            28  X   Cl   30.8597  -19.1146
BOND        27
            1     2  24 2
            2     2   5 1
            3     3   6 1
            4     4   7 1
            5    24   8 1
            6     5   9 1
            7     5  10 2
            8     7  11 1
            9     8  12 1
            10   11  13 1
            11   11  14 1
            12   12  15 1
            13   13  16 1
            14   15  17 1
            15   15  18 2
            16   16  19 1
            17   17  20 1
            18   20  21 1
            19    6   8 2
            20   19  22 1
            21   17  23 1
            22    1   2 1
            23    1   3 2
            24   23  25 1
            25    1   4 1
            26   19  26 1
            27   19  27 1


entry: D01742
name: --- - Clebopride malate (JAN) - Clast (TN)
formula: C20H25ClN3O2. C4H5O5
remark: Therapeutic category: 2329
kcf:
ATOM        35
            1   C8x C    23.7092  -14.8729
            2   C8x C    23.7092  -13.4707
            3   C8x C    22.5173  -12.7696
            4   C8y C    21.3255  -13.4707
            5   C8x C    21.3255  -14.8729
            6   C8x C    22.5173  -15.5740
            7   C1b C    20.1336  -12.7696
            8   N2y N    18.8716  -13.4707 #+
            9   C1x C    17.6798  -12.7696
            10  C1x C    16.4879  -13.4707
            11  C1y C    16.4879  -14.8729
            12  C1x C    17.6798  -15.5740
            13  C1x C    18.8716  -14.8729
            14  N1b N    15.2260  -15.5740
            15  C5a C    14.0341  -14.8729
            16  C8y C    12.8422  -15.5740
            17  O5a O    14.0341  -13.4707
            18  C8x C    11.6504  -14.8729
            19  C8y C    10.3884  -15.5740
            20  C8y C    10.3884  -16.9762
            21  C8x C    11.6504  -17.6773
            22  C8y C    12.8422  -16.9762
            23  O2a O    14.0341  -17.6773
            24  C1a C    15.2961  -16.9762
            25  N1a N     9.1966  -17.6773
            26  X   Cl    9.1966  -14.8729
            27  C1b C    30.3696  -15.5740
            28  C1c C    29.1777  -14.8729
            29  C6a C    31.6315  -14.8729
            30  C6a C    27.9859  -15.5740
            31  O6a O    31.6315  -13.4707
            32  O6a O    32.8234  -15.5740
            33  O6a O    27.9859  -16.9762
            34  O0  O    26.7239  -14.8729 #-
            35  O1a O    29.1777  -13.4707
BOND        36
            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
            29   27  28 1
            30   27  29 1
            31   28  30 1
            32   29  31 2
            33   29  32 1
            34   30  33 2
            35   30  34 1
            36   28  35 1


entry: D01743
name: --- - Halopredone acetate (JAN/USAN) - Haloart (TN)
formula: C25H29BrF2O7
activity: Anti-inflammatory [topical]
remark: Therapeutic category: 2454
kcf:
ATOM        35
            1   C2y C     9.4500  -11.2000
            2   C5x C     9.4500  -12.6000
            3   C2x C    10.6624  -13.3000
            4   C2y C    11.8749  -12.6000
            5   C1z C    11.8749  -11.2000
            6   C2x C    10.6624  -10.5000
            7   C1y C    13.0873  -13.3000
            8   C1x C    14.2997  -12.6000
            9   C1y C    14.2997  -11.2000
            10  C1z C    13.0873  -10.5000
            11  C1y C    15.5122  -10.5000
            12  C1z C    15.5122   -9.1000
            13  C1x C    14.2997   -8.4000
            14  C1y C    13.0873   -9.1000
            15  C1x C    16.8437  -10.9326
            16  C1x C    17.6666   -9.8000
            17  C1z C    16.8437   -8.6674
            18  X   Br    8.2376  -10.5000
            19  O5x O     8.2376  -13.3000
            20  C1a C    11.8749   -9.8000
            21  O1a O    11.8769   -8.4012
            22  C1a C    15.5122   -7.7000
            23  X   F    13.0873  -14.7000
            24  C5a C    16.8437   -6.7074
            25  O7a O    18.1960   -8.3050
            26  X   F    13.0873  -11.9000
            27  C7a C    19.4084   -9.0050
            28  C1a C    20.6208   -8.3050
            29  O7a O    19.4087  -10.4299
            30  O5a O    18.0701   -5.9990
            31  C1b C    15.6564   -6.0220
            32  O7a O    14.4627   -6.7115
            33  C7a C    13.2744   -6.0256
            34  C1a C    12.0837   -6.7133
            35  O7a O    13.2741   -4.6202
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    1  18 1
            22    2  19 2
            23    5  20 1 #Up
            24   14  21 1 #Up
            25   12  22 1 #Up
            26    7  23 1 #Up
            27   17  24 1 #Up
            28   17  25 1 #Down
            29   10  26 1 #Down
            30   25  27 1
            31   27  28 1
            32   27  29 2
            33   24  30 2
            34   24  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   33  35 2


entry: D01744
name: --- - Brotizolam (JAN/USAN) - Lendormin (TN)
formula: C15H12BrClN4S
activity: Sedative-hypnotic
remark: Therapeutic category: 1124
kcf:
ATOM        22
            1   C2y C    12.3723  -19.6609
            2   C1y C    11.5312  -18.5526
            3   C1y C    11.8660  -17.1974
            4   N4y N    13.1256  -16.6200
            5   N2x N    13.7765  -19.6861
            6   C8y C    14.3777  -17.2416
            7   C1x C    14.6639  -18.6087
            8   C8y C    11.7386  -20.9092
            9   C8x C    10.3386  -20.9092
            10  C8x C     9.6386  -22.1216
            11  C8x C    10.3386  -23.3341
            12  C8x C    11.7386  -23.3341
            13  C8y C    12.4386  -22.1216
            14  X   Cl   13.8600  -22.1217
            15  S2x S    10.6806  -16.4602
            16  C2y C     9.6131  -17.3598
            17  C2x C    10.1389  -18.5830
            18  N5x N    15.3558  -16.2428
            19  N5x N    14.7081  -15.0039
            20  C8y C    13.3298  -15.2370
            21  X   Br    8.2289  -17.0323
            22  C1a C    12.3262  -14.2541
BOND        25
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     1   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   13  14 1
            16    3  15 1
            17   15  16 1
            18   16  17 2
            19    2  17 1
            20    6  18 2
            21   18  19 1
            22   19  20 2
            23    4  20 1
            24   16  21 1
            25   20  22 1


entry: D01745
name: --- - Domperidone (JAN/USAN) - Motilium (TN)
formula: C22H24ClN5O2
activity: Anti-emetic
remark: Therapeutic category: 2399
kcf:
ATOM        30
            1   N4y N    25.9465  -12.5717
            2   N4y N    34.4350  -14.6429
            3   C8y C    34.8727  -15.9800
            4   C1y C    33.2156  -13.9485
            5   C8y C    35.5889  -13.8309
            6   C8y C    36.2746  -15.9263
            7   C8x C    34.1655  -17.1869
            8   C1x C    32.0080  -14.6486
            9   C1x C    33.2799  -12.5483
            10  N4x N    36.7179  -14.6653
            11  O5x O    35.5323  -12.4238
            12  C8x C    36.9664  -17.2144
            13  C8x C    34.8520  -18.4077
            14  C1x C    30.7946  -13.9544
            15  C1x C    32.0022  -11.8542
            16  C8y C    36.2564  -18.4160
            17  N1y N    30.7888  -12.5600
            18  C1b C    29.5869  -11.8599
            19  C1b C    28.3735  -12.5659
            20  C1b C    27.1600  -11.8658
            21  X   Cl   36.9447  -19.6304
            22  C8y C    24.8095  -11.7498
            23  N4x N    23.6813  -12.5855
            24  O5x O    24.7979  -10.3542
            25  C8y C    25.5313  -13.9036
            26  C8y C    24.1342  -13.9107
            27  C8x C    23.4416  -15.1241
            28  C8x C    24.1465  -16.3307
            29  C8x C    25.5436  -16.3236
            30  C8x C    26.2361  -15.1100
BOND        34
            1     6  12 1
            2     7  13 2
            3     8  14 1
            4     9  15 1
            5    12  16 2
            6    14  17 1
            7    17  18 1
            8    18  19 1
            9    19  20 1
            10   20   1 1
            11    6  10 1
            12   13  16 1
            13   15  17 1
            14   16  21 1
            15    2   3 1
            16    2   4 1
            17    1  22 1
            18   22  23 1
            19   23  26 1
            20   25   1 1
            21    2   5 1
            22   22  24 2
            23    3   6 2
            24    3   7 1
            25    4   8 1
            26    4   9 1
            27    5  10 1
            28    5  11 2
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   28  29 1
            33   29  30 2
            34   30  25 1


entry: D01747
name: --- - Idarubicin hydrochloride (JP15/USP) - Idamycin (TN)
formula: C26H27NO9. HCl
activity: Antineoplastic
remark: Therapeutic category: 4235
kcf:
ATOM        37
            1   C8y C    24.1185  -14.1392
            2   C8y C    24.1359  -15.5390
            3   C8y C    22.8950  -13.4418
            4   C1x C    25.3231  -13.4068
            5   C1y C    25.3698  -16.2239
            6   C8y C    22.9312  -16.2355
            7   C8y C    21.6962  -14.1626
            8   O1a O    22.8950  -12.3084
            9   C1z C    26.5568  -14.0984
            10  C1x C    26.5172  -15.5158
            11  O2a O    25.3115  -18.0243
            12  C8y C    21.6785  -15.5333
            13  O1a O    22.9370  -17.6003
            14  C5x C    20.4974  -13.4721
            15  C5a C    27.2253  -12.9042
            16  O1a O    28.0397  -14.1041
            17  C1y C    23.8941  -19.4124
            18  C5x C    20.5090  -16.2296
            19  C8y C    19.3102  -14.1685
            20  O5x O    20.4916  -12.1133
            21  O5a O    26.5276  -11.7418
            22  C1x C    23.8941  -20.7888
            23  O2x O    22.7012  -18.7335
            24  C8y C    19.3102  -15.5450
            25  O5x O    20.5207  -17.5944
            26  C8x C    18.1172  -13.4896
            27  C1y C    22.7012  -21.4864
            28  C1y C    21.5257  -19.4124
            29  C8x C    18.1172  -16.2355
            30  C8x C    16.9360  -14.1685
            31  C1y C    21.5257  -20.7888
            32  N1a N    22.7012  -22.8383
            33  C1a C    20.3501  -18.7335
            34  C8x C    16.9360  -15.5450
            35  O1a O    20.3444  -21.4559
            36  C1a C    28.5788  -12.9013
            37  X   Cl   28.2066  -20.5771
BOND        40
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1 #Up
            15    9  16 1 #Down
            16   17  11 1 #Up
            17   12  18 1
            18   14  19 1
            19   14  20 2
            20   15  21 2
            21   17  22 1
            22   17  23 1
            23   18  24 1
            24   18  25 2
            25   19  26 1
            26   22  27 1
            27   23  28 1
            28   24  29 1
            29   26  30 2
            30   27  31 1
            31   27  32 1 #Down
            32   28  33 1 #Down
            33   29  34 2
            34   31  35 1 #Down
            35    7  12 2
            36    9  10 1
            37   19  24 2
            38   28  31 1
            39   30  34 1
            40   15  36 1


entry: D01748
name: --- - Isoxsuprine hydrochloride (JAN/USP) - Duvadilan (TN)
formula: C18H23NO3. HCl
activity: Vasodilator
remark: Therapeutic category: 2172
kcf:
ATOM        23
            1   C8y C    17.0800  -15.8200
            2   C1c C    18.3400  -16.5200
            3   C1c C    19.5300  -15.8200
            4   N1b N    20.7200  -16.5200
            5   C1c C    21.9800  -15.8200
            6   C1b C    23.1700  -16.5200
            7   O2a O    24.3600  -15.8200
            8   C1a C    19.5300  -14.4200
            9   C1a C    21.9800  -14.4200
            10  C8y C    25.6200  -16.5200
            11  C8x C    25.6200  -17.9200
            12  C8x C    26.8100  -18.6200
            13  C8x C    28.0000  -17.9200
            14  C8x C    28.0000  -16.5200
            15  C8x C    26.8100  -15.8200
            16  O1a O    18.3400  -17.9200
            17  C8x C    17.0800  -14.4900
            18  C8x C    15.8900  -13.7900
            19  C8y C    14.7000  -14.4900
            20  C8x C    14.7000  -15.8900
            21  C8x C    15.8900  -16.5900
            22  O1a O    13.4400  -13.7900
            23  X   Cl   30.8000  -17.0800
BOND        23
            1     5   6 1
            2     2   3 1
            3     6   7 1
            4    10  11 2
            5    11  12 1
            6    12  13 2
            7    13  14 1
            8    14  15 2
            9    15  10 1
            10    2  16 1
            11    3   8 1
            12    3   4 1
            13    5   9 1
            14    1   2 1
            15    7  10 1
            16    1  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   21   1 1
            22    4   5 1
            23   19  22 1


entry: D01749
name: --- - Urea(13C) (JAN) - Urea C13 (USP) - Helicosol (TN)
formula: CH4N2O
remark: Therapeutic category: 7290
kcf:
ATOM        4
            1   C5a C    24.8588  -19.0261
            2   N1a N    23.6471  -19.7285
            3   N1a N    26.0705  -19.7285
            4   O5a O    24.8588  -17.6272
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 2


entry: D01750
name: --- - Idebenone (JAN)
formula: C19H30O5
remark: Therapeutic category: 1190
kcf:
ATOM        24
            1   C2y C    17.3768  -16.5380
            2   C2y C    17.3768  -17.9396
            3   C5x C    18.5936  -18.6404
            4   C2y C    19.8032  -17.9396
            5   C2y C    19.8032  -16.5380
            6   C5x C    18.5936  -15.8372
            7   O5x O    18.5953  -14.4355
            8   O5x O    18.5953  -20.0420
            9   C1a C    21.0176  -15.8382
            10  O2a O    16.1633  -15.8366
            11  O2a O    16.1633  -18.6411
            12  C1a C    14.9492  -17.9409
            13  C1b C    21.0083  -18.6404
            14  C1b C    22.2188  -17.9396
            15  C1b C    23.4293  -18.6404
            16  C1b C    24.6397  -17.9396
            17  C1b C    25.8502  -18.6404
            18  C1b C    27.0607  -17.9396
            19  C1b C    28.2712  -18.6404
            20  C1b C    29.4817  -17.9396
            21  C1b C    30.6922  -18.6404
            22  C1b C    31.9027  -17.9396
            23  O1a O    33.1132  -18.6404
            24  C1a C    14.9628  -16.5289
BOND        24
            1    11  12 1
            2     6   1 1
            3     4  13 1
            4    13  14 1
            5     6   7 2
            6    14  15 1
            7     1   2 2
            8    15  16 1
            9     3   8 2
            10   16  17 1
            11    2   3 1
            12   17  18 1
            13    5   9 1
            14   18  19 1
            15    3   4 1
            16   19  20 1
            17    1  10 1
            18   20  21 1
            19    4   5 2
            20   21  22 1
            21    2  11 1
            22   22  23 1
            23    5   6 1
            24   10  24 1


entry: D01751
name: --- - Fenipentol (JAN)
formula: C11H16O
remark: Therapeutic category: 2399
kcf:
ATOM        12
            1   C8x C    23.4240  -18.1082
            2   C8x C    23.4240  -19.5093
            3   C8x C    24.6403  -20.2098
            4   C8x C    25.8495  -19.5093
            5   C8x C    25.8495  -18.1082
            6   C8y C    24.6403  -17.4077
            7   C1c C    24.6422  -16.0066
            8   C1b C    23.4311  -15.3061
            9   C1b C    22.2211  -16.0066
            10  C1b C    21.0111  -15.3061
            11  C1a C    19.8011  -16.0066
            12  O1a O    25.8563  -15.3073
BOND        12
            1     6   1 1
            2     6   7 1
            3     1   2 2
            4     7   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    7  12 1


entry: D01752
name: --- - Besigomsin (JAN)
formula: C23H28O7
kcf:
ATOM        30
            1   C8y C    20.0011  -16.9718
            2   C8y C    21.2053  -16.2741
            3   C8y C    21.2053  -14.8787
            4   C8x C    20.0011  -14.1810
            5   C1x C    24.5881  -16.2801
            6   C1z C    24.5881  -14.8745
            7   C1y C    23.6024  -13.8830
            8   C1x C    22.1968  -13.8830
            9   C8y C    23.6051  -17.2709
            10  C8y C    22.1968  -17.2715
            11  C8y C    21.4934  -18.4915
            12  C8y C    22.1982  -19.7107
            13  C8y C    23.6064  -19.7099
            14  C8x C    24.3099  -18.4900
            15  O2a O    20.0028  -18.3672
            16  C1a C    18.7953  -19.0665
            17  O2a O    21.5012  -20.9195
            18  O2a O    24.3048  -20.9180
            19  C1a C    23.6080  -22.1269
            20  C1a C    22.1997  -22.1277
            21  C8y C    18.7897  -16.2741
            22  C8y C    18.7904  -14.8704
            23  O2x O    17.4553  -14.4359
            24  C1x C    16.6299  -15.5714
            25  O2x O    17.4543  -16.7075
            26  C1a C    24.1382  -12.5947
            27  C1a C    24.9406  -13.5199
            28  O1a O    25.7863  -15.5707
            29  O2a O    20.7827  -19.6935
            30  C1a C    19.3873  -20.2465
BOND        33
            1    13  14 2
            2    14   9 1
            3     6   7 1
            4     1  15 1
            5    10   2 1
            6    15  16 1
            7     7   8 1
            8    12  17 1
            9     8   3 1
            10   13  18 1
            11    5   9 1
            12   18  19 1
            13    5   6 1
            14   17  20 1
            15    3   4 2
            16    4  22 1
            17   21   1 1
            18    1   2 2
            19   21  22 2
            20   22  23 1
            21   23  24 1
            22   24  25 1
            23   25  21 1
            24    2   3 1
            25    7  26 1 #Up
            26    9  10 2
            27    6  27 1 #Up
            28   10  11 1
            29    6  28 1 #Down
            30   11  12 2
            31   11  29 1
            32   12  13 1
            33   29  30 1


entry: D01753
name: --- - Dibekacin sulfate (JP15) - Panimycin (TN)
formula: C18H37N5O8. xH2SO4
remark: Therapeutic category: 1317 6134
kcf:
ATOM        36
            1   O1d O    29.9635  -18.6462
            2   S4a S    31.3576  -18.6462
            3   O3c O    31.3506  -20.0402
            4   O1d O    32.7516  -18.6462
            5   O3c O    31.3506  -17.2522
            6   C1y C    19.7925  -17.1321
            7   C1y C    19.7925  -18.5332
            8   C1y C    21.0098  -19.2370
            9   C1y C    22.2198  -18.5332
            10  C1y C    22.2198  -17.1321
            11  O2x O    21.0098  -16.4351
            12  N1a N    21.0115  -20.6382
            13  O1a O    18.5786  -19.2377
            14  O1a O    23.4347  -19.2362
            15  O2a O    23.4347  -16.4359
            16  C1y C    24.6364  -15.7241
            17  C1y C    25.8547  -16.4192
            18  C1x C    26.9935  -15.7073
            19  C1y C    27.0539  -14.3071
            20  C1y C    25.8354  -13.6189
            21  C1y C    24.6268  -14.3238
            22  N1a N    25.8643  -17.8203
            23  N1a N    28.2631  -13.6018
            24  O2a O    25.8258  -12.2179
            25  O1a O    23.4146  -13.6353
            26  C1y C    27.0353  -11.5054
            27  O2x O    28.2460  -12.2029
            28  C1y C    29.4554  -11.4905
            29  C1x C    29.4457  -10.0894
            30  C1x C    28.2266   -9.4008
            31  C1y C    27.0174  -10.1061
            32  C1b C    30.6745  -12.1862
            33  N1a N    30.6841  -13.5871
            34  N1a N    25.7962   -9.4211
            35  C1b C    18.5786  -16.4344
            36  O1a O    17.3639  -17.1309
BOND        37
            1     2   5 2
            2     1   2 1
            3     2   3 2
            4     2   4 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8    16  17 1
            9    17  18 1
            10   18  19 1
            11   19  20 1
            12   20  21 1
            13   21  16 1
            14    9  10 1
            15   17  22 1 #Up
            16   10  11 1
            17   19  23 1 #Up
            18   11   6 1
            19   20  24 1 #Down
            20   21  25 1 #Up
            21    8  12 1 #Up
            22   26  24 1 #Down
            23    7  13 1 #Down
            24    9  14 1 #Down
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   29  30 1
            29   30  31 1
            30   31  26 1
            31   10  15 1 #Down
            32   28  32 1 #Up
            33   32  33 1
            34   16  15 1 #Down
            35   31  34 1 #Down
            36    6  35 1 #Up
            37   35  36 1


entry: D01754
name: --- - Niceritrol (JP15) - Perycit (TN)
formula: C29H24N4O8
remark: Therapeutic category: 2189
kcf:
ATOM        41
            1   C1b C    23.8678  -17.7236
            2   C1d C    25.0804  -17.0236
            3   C1b C    26.2862  -16.3094
            4   C1b C    23.8606  -16.3163
            5   C1b C    26.2862  -17.7165
            6   O7a O    27.5065  -16.9959
            7   C7a C    28.7113  -16.2824
            8   O7a O    26.2890  -19.1167
            9   O7a O    22.6468  -17.0142
            10  O7a O    23.8632  -14.9162
            11  C7a C    22.6519  -14.2139
            12  C7a C    21.4323  -17.7111
            13  C8y C    20.2217  -17.0076
            14  O7a O    21.4284  -19.1113
            15  C8x C    20.2287  -15.6132
            16  C8x C    19.0179  -14.9099
            17  C8x C    17.8034  -15.6066
            18  N5x N    17.7997  -17.0068
            19  C8x C    19.0103  -17.7101
            20  C7a C    27.5029  -19.8144
            21  C8y C    27.5058  -21.2146
            22  C8y C    29.9316  -16.9689
            23  C8y C    22.6546  -12.8137
            24  O7a O    28.7142  -19.1119
            25  O7a O    28.6957  -14.8822
            26  O7a O    21.4381  -14.9118
            27  C8x C    23.8654  -12.1214
            28  C8x C    23.8681  -10.7213
            29  C8x C    22.6567  -10.0190
            30  N5x N    21.4428  -10.7169
            31  C8x C    21.4403  -12.1170
            32  C8x C    29.9433  -18.3669
            33  C8x C    31.1636  -19.0535
            34  C8x C    32.3682  -18.3399
            35  N5x N    32.3528  -16.9399
            36  C8x C    31.1325  -16.2534
            37  C8x C    26.2973  -21.9114
            38  C8x C    26.3000  -23.3116
            39  C8x C    27.5140  -24.0093
            40  N5x N    28.7253  -23.3067
            41  C8x C    28.7224  -21.9065
BOND        44
            1     2   5 1
            2    20  21 1
            3    10  11 1
            4     7  22 1
            5    11  23 1
            6     9  12 1
            7    20  24 2
            8     3   6 1
            9     7  25 2
            10   12  13 1
            11   11  26 2
            12    2   3 1
            13   12  14 2
            14    6   7 1
            15    1   2 1
            16    5   8 1
            17   23  27 2
            18   27  28 1
            19   28  29 2
            20   29  30 1
            21   30  31 2
            22   31  23 1
            23    2   4 1
            24    1   9 1
            25   13  15 2
            26   15  16 1
            27   16  17 2
            28   22  32 2
            29   32  33 1
            30   33  34 2
            31   34  35 1
            32   35  36 2
            33   36  22 1
            34   17  18 1
            35   18  19 2
            36   19  13 1
            37    4  10 1
            38    8  20 1
            39   21  37 2
            40   37  38 1
            41   38  39 2
            42   39  40 1
            43   40  41 2
            44   41  21 1


entry: D01755
name: --- - Propyliodone (JAN/USP) - Dionosil oily (TN)
formula: C10H11I2NO3
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7219
kcf:
ATOM        16
            1   C8x C    22.3273  -18.7631
            2   C8y C    22.3273  -20.1637
            3   C8y C    23.5432  -20.8640
            4   C8y C    24.7520  -20.1637
            5   C8x C    24.7520  -18.7631
            6   N4y N    23.5432  -18.0628
            7   O5x O    23.5449  -22.2646
            8   C1b C    23.5449  -16.6622
            9   C7a C    24.7588  -15.9634
            10  O7a O    24.7606  -14.5628
            11  O7a O    25.9709  -16.6652
            12  C1b C    27.1799  -15.9619
            13  C1b C    28.3895  -16.6622
            14  C1a C    29.5991  -15.9619
            15  X   I    25.9655  -20.8631
            16  X   I    21.1147  -20.8647
BOND        16
            1     6   8 1
            2     2   3 1
            3     8   9 1
            4     3   4 1
            5     9  10 2
            6     4   5 2
            7     9  11 1
            8     5   6 1
            9    11  12 1
            10    6   1 1
            11   12  13 1
            12   13  14 1
            13    3   7 2
            14    4  15 1
            15    1   2 2
            16    2  16 1


entry: D01756
name: --- - Trolnitrate phosphate (JAN) - Nitretamin (TN)
formula: C6H12N4O9. 2H3PO4
kcf:
ATOM        29
            1   C1b C    16.4048  -19.1597
            2   C1b C    17.6148  -19.8602
            3   N1c N    18.8247  -19.1668
            4   C1b C    20.0347  -19.8673
            5   C1b C    21.2446  -19.1738
            6   O2a O    22.4545  -19.8743
            7   C1b C    18.8278  -17.7659
            8   C1b C    20.0426  -17.0679
            9   O2a O    20.0457  -15.6669
            10  O2a O    15.1906  -19.8587
            11  N2b N    21.2606  -14.9692 #+
            12  O3a O    21.2636  -13.5682
            13  O0  O    22.4722  -15.6724 #-
            14  N2b N    23.6687  -19.1753 #+
            15  O3a O    23.6704  -17.7744
            16  O0  O    24.8810  -19.8772 #-
            17  N2b N    13.9783  -19.1568 #+
            18  O0  O    12.7641  -19.8558 #-
            19  O3a O    13.9798  -17.7558
            20  P1b P    29.0229  -17.0722
            21  O1c O    30.3348  -17.0841
            22  O1c O    27.7939  -17.0841
            23  O1c O    29.0820  -18.5030
            24  O3b O    29.0582  -15.4456
            25  P1b P    29.0229  -17.0722
            26  O1c O    30.3348  -17.0841
            27  O1c O    27.7939  -17.0841
            28  O1c O    29.0820  -18.5030
            29  O3b O    29.0582  -15.4456
BOND        26
            1     3   7 1
            2    14  15 2
            3    14  16 1
            4     7   8 1
            5    10  17 1
            6     3   4 1
            7    17  18 1
            8     8   9 1
            9    17  19 2
            10    1   2 1
            11    1  10 1
            12    4   5 1
            13    9  11 1
            14   11  12 2
            15    5   6 1
            16   11  13 1
            17    2   3 1
            18    6  14 1
            19   20  21 1
            20   20  22 1
            21   20  23 1
            22   20  24 2
            23   25  26 1
            24   25  27 1
            25   25  28 1
            26   25  29 2


entry: D01757
name: --- - Bismuth subcarbonate (JAN/USP) - Bismuth subcarbonate (TN)
formula: CBi2O5
activity: Protectant [topical]
remark: Therapeutic category: 2315
kcf:
ATOM        8
            1   O0  O    17.5523  -18.4147
            2   Z   Bi   18.7648  -17.3627
            3   O7a O    19.9774  -18.4077
            4   C7a C    21.1899  -17.7057
            5   O7a O    22.4025  -18.4006
            6   Z   Bi   23.6150  -17.3486
            7   O0  O    24.8276  -18.3934
            8   O7a O    21.1869  -16.3017
BOND        7
            1     4   5 1
            2     2   3 1
            3     5   6 1
            4     1   2 2
            5     6   7 2
            6     3   4 1
            7     4   8 2


entry: D01758
name: --- - Haloxazolam (JP15) - Somelin (TN)
formula: C17H14BrFN2O2
remark: Therapeutic category: 1124
kcf:
ATOM        23
            1   C1z C    16.5473  -15.5610
            2   C8y C    15.7133  -14.4620
            3   C8y C    16.0453  -13.1184
            4   N1x N    17.2941  -12.5457
            5   N1y N    17.9395  -15.5166
            6   C5x C    18.5356  -13.1621
            7   C1x C    18.8194  -14.5177
            8   C8x C    15.0478  -12.1593
            9   C8x C    13.7188  -12.5436
            10  C8y C    13.3868  -13.8873
            11  C8x C    14.3842  -14.8461
            12  O5x O    19.5697  -12.2367
            13  X   Br   12.0352  -14.2780
            14  O2x O    16.1592  -16.8988
            15  C1x C    17.3116  -17.6813
            16  C1x C    18.4119  -16.8271
            17  C8y C    14.8624  -16.2537
            18  C8x C    13.6625  -15.5610
            19  C8x C    12.4626  -16.2537
            20  C8x C    12.4626  -17.6393
            21  C8x C    13.6625  -18.3321
            22  C8y C    14.8624  -17.6393
            23  X   F    16.0688  -18.3359
BOND        26
            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    6  12 2
            14   10  13 1
            15    1  14 1
            16   14  15 1
            17   15  16 1
            18    5  16 1
            19    1  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   17  22 1
            26   22  23 1


entry: D01759
name: --- - Acamylophenine hydrochloride (JAN) - Camylophenine dihydrochloride
formula: C19H32N2O2. 2HCl
kcf:
ATOM        25
            1   C1a C    18.3875  -15.2021
            2   C1b C    19.5989  -14.5007
            3   N1c N    20.8104  -15.1950
            4   C1b C    22.0218  -14.4936
            5   C1b C    23.2333  -15.1880
            6   N1b N    24.4447  -14.4866
            7   C1c C    25.6562  -15.1809
            8   C7a C    26.8676  -14.4795
            9   O7a O    28.0790  -15.1737
            10  C1b C    29.2905  -14.4724
            11  C1b C    30.5019  -15.1667
            12  C1c C    31.7134  -14.4654
            13  C1a C    32.9248  -15.1596
            14  C1b C    20.8134  -16.5977
            15  C1a C    22.0298  -17.2965
            16  C8y C    25.6592  -16.5836
            17  O7a O    26.8645  -13.0768
            18  C1a C    31.7103  -13.0627
            19  C8x C    24.4510  -17.2807
            20  C8x C    24.4542  -18.6834
            21  C8x C    25.6704  -19.3822
            22  C8x C    26.8837  -18.6781
            23  C8x C    26.8807  -17.2754
            24  X   Cl   30.5200  -17.7800
            25  X   Cl   30.5200  -17.7800
BOND        23
            1    11  12 1
            2     1   2 1
            3    12  13 1
            4     5   6 1
            5     3  14 1
            6    14  15 1
            7     6   7 1
            8     7  16 1
            9     2   3 1
            10    8  17 2
            11    7   8 1
            12   12  18 1
            13    8   9 1
            14    3   4 1
            15    9  10 1
            16   16  19 2
            17   19  20 1
            18   20  21 2
            19   21  22 1
            20   22  23 2
            21   23  16 1
            22   10  11 1
            23    4   5 1


entry: D01760
name: --- - Ranimustine (JAN) - Cymerin (TN)
formula: C10H18ClN3O7
remark: Therapeutic category: 4219
kcf:
ATOM        21
            1   C1y C    21.1138  -21.5444
            2   C1y C    22.3296  -22.2406
            3   C1y C    23.5420  -21.5335
            4   C1y C    23.5352  -20.1360
            5   O2x O    22.3194  -19.4398
            6   C1y C    21.1106  -20.1408
            7   C1b C    24.7418  -19.4391
            8   O1a O    24.7586  -22.2282
            9   O2a O    19.8957  -19.4428
            10  O1a O    19.9027  -22.2483
            11  O1a O    22.3352  -23.6417
            12  C1a C    18.6839  -20.1460
            13  N1b N    25.9517  -20.1396
            14  C5a C    27.1617  -19.4391
            15  N1c N    28.3717  -20.1396
            16  N2b N    29.5817  -19.4391
            17  O5a O    27.1617  -18.0380
            18  C1b C    28.3717  -21.5406
            19  O3a O    30.7957  -20.1381
            20  C1b C    29.5849  -22.2411
            21  X   Cl   29.5849  -23.6422
BOND        21
            1     4   5 1
            2     2  11 1 #Down
            3     5   6 1
            4     9  12 1
            5     6   1 1
            6     7  13 1
            7    13  14 1
            8     4   7 1 #Down
            9    14  15 1
            10    1   2 1
            11   15  16 1
            12    3   8 1 #Up
            13   14  17 2
            14    2   3 1
            15   15  18 1
            16    6   9 1 #Up
            17   16  19 2
            18    3   4 1
            19   18  20 1
            20    1  10 1 #Up
            21   20  21 1


entry: D01761
name: --- - Ioxaglic acid (JAN/USP) - Hexabrix 320 (TN)
formula: C24H21I6N5O8
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7219
kcf:
ATOM        43
            1   C6a C    19.4821  -14.2936
            2   O6a O    18.2700  -13.5917
            3   C8y C    19.4811  -15.6872
            4   C8y C    20.6979  -16.3875
            5   C8y C    20.6979  -17.7883
            6   C8y C    19.4819  -18.4886
            7   C8y C    18.2730  -17.7883
            8   C8y C    18.2730  -16.3875
            9   X   I    19.4802  -19.8894
            10  X   I    17.0594  -15.6882
            11  X   I    21.9107  -15.6867
            12  C5a C    17.0594  -18.4878
            13  N1b N    15.8519  -17.7813
            14  C1b C    14.6422  -18.4817
            15  O5a O    17.0548  -19.8885
            16  N1b N    21.9076  -18.4886
            17  C5a C    23.1174  -17.7954
            18  C1b C    24.3271  -18.4958
            19  O6a O    20.6959  -13.5944
            20  C1b C    13.4282  -17.7828
            21  O1a O    12.2159  -18.4846
            22  O5a O    23.1204  -16.3947
            23  N1b N    25.5409  -17.7969
            24  C5a C    26.7532  -18.4986
            25  C8y C    27.9671  -17.7998
            26  C8y C    29.1733  -18.5027
            27  C8y C    30.3871  -17.8039
            28  C8y C    30.3888  -16.4032
            29  C8y C    29.1765  -15.7013
            30  C8y C    28.0327  -16.4003
            31  N1c N    31.5994  -18.5058
            32  C1a C    31.5977  -19.9065
            33  C5a C    32.8133  -17.8068
            34  C1a C    34.0254  -18.5087
            35  O5a O    32.8149  -16.4060
            36  C5a C    29.1782  -14.3005
            37  O5a O    30.3922  -13.6017
            38  N1b N    27.9659  -13.5988
            39  C1a C    26.7521  -14.2976
            40  O5a O    26.7515  -19.8994
            41  X   I    29.1696  -19.9035
            42  X   I    31.6028  -15.7043
            43  X   I    26.7489  -15.7011
BOND        44
            1     5   6 1
            2    17  22 2
            3     4  11 1
            4    18  23 1
            5     5  16 1
            6    23  24 1
            7     6   7 2
            8    24  25 1
            9    16  17 1
            10    7  12 1
            11   17  18 1
            12    7   8 1
            13   12  13 1
            14   25  26 2
            15   26  27 1
            16   27  28 2
            17   28  29 1
            18   29  30 2
            19   30  25 1
            20    8   3 2
            21   27  31 1
            22   13  14 1
            23   31  32 1
            24    3   4 1
            25   31  33 1
            26    6   9 1
            27   33  34 1
            28    4   5 2
            29   33  35 2
            30   12  15 2
            31   29  36 1
            32    8  10 1
            33   36  37 2
            34   36  38 1
            35    1  19 1
            36   38  39 1
            37    3   1 1
            38   24  40 2
            39   14  20 1
            40   26  41 1
            41    1   2 2
            42   28  42 1
            43   20  21 1
            44   30  43 1


entry: D01762
name: --- - Sulpyrine (JP15) - Dipyrone (USAN) - Sulpyrine (TN)
formula: C13H16N3O4S. H2O. Na
activity: Analgesic; Antipyretic
remark: Therapeutic category: 1144
comment: Component of Salsocain (TN), Obelon (TN)
kcf:
ATOM        23
            1   Z   Na   34.6276  -16.2463 #+
            2   O0  O    38.7581  -16.1708
            3   C8x C    22.4700  -16.3800
            4   C8x C    22.4700  -17.7800
            5   C8x C    23.6824  -18.4800
            6   C8x C    24.8949  -17.7800
            7   C8y C    24.8949  -16.3800
            8   C8x C    23.6824  -15.6800
            9   N4y N    26.1260  -15.6690
            10  N4y N    26.1260  -14.2690
            11  C1a C    24.9065  -13.5648
            12  C8y C    27.4575  -16.1016
            13  C8y C    28.2804  -14.9690
            14  C8y C    27.4575  -13.8364
            15  N1c N    29.6800  -14.9690
            16  O5x O    27.8879  -17.4264
            17  C1a C    27.8813  -12.5314
            18  C1a C    30.3752  -13.5548
            19  C1b C    30.3847  -16.1897
            20  S4a S    31.7847  -16.1897
            21  O0  O    33.1847  -16.1897 #-
            22  O3c O    31.7848  -14.7700
            23  O3c O    31.7847  -17.5700
BOND        22
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     3   8 1
            7     7   9 1
            8     9  10 1
            9    10  11 1
            10    9  12 1
            11   12  13 1
            12   13  14 2
            13   10  14 1
            14   13  15 1
            15   12  16 2
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 2
            22   20  23 2


entry: D01763
name: --- - Broxuridine (JAN)
formula: C9H11BrN2O5
kcf:
ATOM        17
            1   C1y C    24.0993  -15.6641
            2   N4y N    25.4385  -15.2372
            3   O2x O    22.9530  -14.7927
            4   C1x C    23.6842  -16.9623
            5   C1y C    21.8244  -15.6347
            6   C1y C    22.2629  -16.9623
            7   C1b C    20.4910  -15.2138
            8   O1a O    19.4559  -16.1552
            9   O1a O    21.4433  -18.0964
            10  C8y C    26.6786  -15.9022
            11  N4x N    27.8664  -15.1611
            12  C8y C    27.8884  -13.7619
            13  C8y C    26.5827  -13.1039
            14  C8x C    25.3950  -13.8450
            15  X   Br   26.5882  -11.6924
            16  O5x O    29.0531  -13.0575
            17  O5x O    26.6541  -17.2890
BOND        18
            1     3   5 1
            2     4   6 1
            3     5   7 1 #Up
            4     7   8 1
            5     5   6 1
            6     1   2 1 #Up
            7     1   3 1
            8     1   4 1
            9     6   9 1 #Down
            10    2  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15    2  14 1
            16   13  15 1
            17   12  16 2
            18   10  17 2


entry: D01764
name: --- - Diflucortolone valerate (JAN) - Afusona (TN)
formula: C27H36F2O5
remark: Therapeutic category: 2646
comment: Component of Neriproct (TN)
kcf:
ATOM        34
            1   C1b C    31.8654  -12.1970
            2   O7a O    30.7091  -12.8841
            3   C7a C    29.5392  -12.2312
            4   C1b C    28.3829  -12.9181
            5   O7a O    29.5211  -10.8846
            6   C5a C    33.0353  -12.8500
            7   C2x C    26.0133  -17.3146
            8   C5x C    26.0133  -18.6613
            9   C2x C    27.1823  -19.3347
            10  C2x C    27.1823  -16.6413
            11  C1z C    28.3446  -17.3146
            12  C2y C    28.3387  -18.6613
            13  C1y C    29.5022  -19.3398
            14  C1x C    30.6714  -18.6713
            15  C1z C    29.5138  -16.6464
            16  C1y C    30.6714  -17.3275
            17  C1x C    30.6935  -14.6412
            18  C1y C    29.5247  -15.3033
            19  C1z C    31.8512  -15.3221
            20  C1y C    31.8351  -16.6614
            21  C1x C    34.1542  -16.6895
            22  C1y C    34.1706  -15.3504
            23  C1y C    33.0189  -14.6668
            24  C1a C    31.8422  -13.9751
            25  O1a O    28.3641  -14.6202
            26  C1a C    28.3325  -15.9679
            27  C1a C    35.3449  -14.6911
            28  X   F    29.5026  -17.9880
            29  X   F    29.4887  -20.6814
            30  O5x O    24.8473  -19.3354
            31  O5a O    34.2023  -12.1923
            32  C1b C    27.1512  -12.2268
            33  C1b C    25.9439  -12.9435
            34  C1a C    24.7458  -12.2709
BOND        37
            1     3   4 1
            2     1   2 1
            3     6   1 1
            4    15  16 1
            5    16  20 1
            6    19  17 1
            7    17  18 1
            8    18  15 1
            9     7   8 1
            10    8   9 1
            11    9  12 2
            12   11  10 1
            13   19  20 1
            14   21  22 1
            15   22  23 1
            16   23  19 1
            17   20  21 1
            18   23   6 1 #Up
            19   10   7 2
            20   19  24 1 #Up
            21    2   3 1
            22    3   5 2
            23   18  25 1 #Up
            24   11  26 1 #Up
            25   22  27 1 #Down
            26   11  12 1
            27   12  13 1
            28   15  28 1 #Down
            29   13  14 1
            30   13  29 1 #Down
            31   14  16 1
            32    8  30 2
            33   15  11 1
            34    6  31 2
            35    4  32 1
            36   32  33 1
            37   33  34 1


entry: D01765
name: --- - Proglumetacin maleate (JAN) - Miridacin (TN)
formula: C46H58ClN5O8. (C4H4O4)2
remark: Therapeutic category: 1145
kcf:
ATOM        76
            1   C8y C     8.7485  -16.5342
            2   C8y C     8.7416  -17.9998
            3   C1a C    10.0166  -18.7386
            4   C7a C    11.2918  -16.5533
            5   C1b C    10.0237  -15.8074
            6   C8y C     6.4248  -17.8853
            7   C8y C     6.4248  -16.5391
            8   N4y N     7.5959  -18.5619
            9   C8x C     5.2475  -18.5502
            10  C8x C     5.2475  -15.8565
            11  C5a C     7.5959  -19.9023
            12  C8x C     4.0951  -17.8853
            13  C8y C     4.0951  -16.5391
            14  C8y C     7.6472  -20.8368
            15  O5a O     6.3605  -19.8778
            16  O2a O     2.9435  -15.8811
            17  C8x C     6.4831  -21.5193
            18  C8x C     8.8116  -21.5133
            19  C1a C     1.7840  -16.5577
            20  C8x C     6.4831  -22.8656
            21  C8x C     8.8173  -22.8480
            22  C8y C     7.6472  -23.5244
            23  X   Cl    7.5959  -24.8522
            24  O7a O    12.5668  -15.8198
            25  C1b C    13.8354  -16.5645
            26  C1b C    15.0969  -15.8296
            27  N1y N    16.3651  -16.5625
            28  C1x C    16.3646  -18.0272
            29  C1x C    17.6328  -18.7599
            30  N1y N    18.9016  -18.0279
            31  C1x C    18.9021  -16.5631
            32  C1x C    17.6339  -15.8304
            33  C1b C    20.1095  -18.7259
            34  C1b C    21.3113  -18.0279
            35  C1b C    22.5161  -18.7254
            36  O7a O    23.7209  -18.0279
            37  C7a C    24.9258  -18.7254
            38  C1b C    26.1306  -18.0279
            39  C1b C    27.3354  -18.7254
            40  C1c C    28.5403  -18.0279
            41  C5a C    29.7451  -18.7254
            42  N1c N    30.9499  -18.0279
            43  C1b C    32.1548  -18.7254
            44  C1b C    33.3596  -18.0279
            45  O7a O    24.9258  -20.1205
            46  N1b N    28.5403  -16.6328
            47  C5a C    27.3320  -15.9353
            48  C8y C    27.3320  -14.5402
            49  C8x C    28.5423  -13.8462
            50  C8x C    28.5423  -12.4511
            51  C8x C    27.3341  -11.7536
            52  C8x C    26.1260  -12.4511
            53  C8x C    26.1260  -13.8462
            54  O5a O    26.1240  -16.6328
            55  O5a O    29.7451  -20.1205
            56  C1a C    34.5687  -18.7240
            57  C1b C    30.9499  -16.6328
            58  C1b C    32.1581  -15.9353
            59  C1a C    32.1581  -14.5402
            60  O7a O    11.2847  -17.9199
            61  C6a C    29.7189  -25.2040
            62  C2b C    29.0341  -24.0302
            63  O6a O    29.0398  -26.3835
            64  O6a O    31.0747  -25.1981
            65  C2b C    27.4065  -24.0359
            66  C6a C    26.7345  -25.2155
            67  O6a O    25.3715  -25.2155
            68  O6a O    27.4181  -26.3893
            69  C6a C    29.7189  -25.2040
            70  C2b C    29.0341  -24.0302
            71  C2b C    27.4065  -24.0359
            72  C6a C    26.7345  -25.2155
            73  O6a O    25.3715  -25.2155
            74  O6a O    27.4181  -26.3893
            75  O6a O    29.0398  -26.3835
            76  O6a O    31.0747  -25.1981
BOND        78
            1    34  35 1
            2     9  12 2
            3    35  36 1
            4    10  13 2
            5    36  37 1
            6    11  14 1
            7    37  38 1
            8    11  15 2
            9    38  39 1
            10   13  16 1
            11   39  40 1
            12   14  17 2
            13   40  41 1
            14   14  18 1
            15   41  42 1
            16   16  19 1
            17   42  43 1
            18   17  20 1
            19   43  44 1
            20   18  21 2
            21   37  45 2
            22   20  22 2
            23   40  46 1
            24   22  23 1
            25   46  47 1
            26   12  13 1
            27   47  48 1
            28   21  22 1
            29    4   5 1
            30    4  24 1
            31    5   1 1
            32   48  49 2
            33   49  50 1
            34   50  51 2
            35   51  52 1
            36   52  53 2
            37   53  48 1
            38   47  54 2
            39   24  25 1
            40   41  55 2
            41   44  56 1
            42   25  26 1
            43   42  57 1
            44    1   2 2
            45   57  58 1
            46   26  27 1
            47   58  59 1
            48    2   3 1
            49    6   7 2
            50    6   8 1
            51    6   9 1
            52    7   1 1
            53   27  28 1
            54   28  29 1
            55   29  30 1
            56   30  31 1
            57   31  32 1
            58   32  27 1
            59    7  10 1
            60   30  33 1
            61    8   2 1
            62   33  34 1
            63    8  11 1
            64    4  60 2
            65   61  62 1
            66   61  63 1
            67   61  64 2
            68   62  65 2
            69   65  66 1
            70   66  67 1
            71   66  68 2
            72   69  70 1
            73   69  75 1
            74   69  76 2
            75   70  71 2
            76   71  72 1
            77   72  73 1
            78   72  74 2


entry: D01766
name: --- - Camostat mesilate (JP15) - Camostat mesylate - Camostat monomethanesulfonate - Foipan (TN)
formula: C20H22N4O5. CH4SO3
remark: Therapeutic category: 3999
kcf:
ATOM        34
            1   C8y C    23.1596  -14.4202
            2   C8x C    23.1667  -13.0188
            3   C8x C    21.9567  -12.3120
            4   C8y C    20.7394  -13.0064
            5   C8x C    20.7325  -14.4079
            6   C8x C    21.9424  -15.1147
            7   N1b N    19.5294  -12.2996
            8   C2c C    18.3123  -12.9942
            9   N2a N    17.1023  -12.2874
            10  N1a N    18.3052  -14.3955
            11  C7a C    24.3699  -15.1208
            12  O7a O    25.5801  -14.4271
            13  C8y C    26.7903  -15.1278
            14  O7a O    24.3668  -16.5222
            15  C8x C    28.0023  -14.4300
            16  C8x C    29.2125  -15.1307
            17  C8y C    29.2108  -16.5291
            18  C8x C    27.9989  -17.2269
            19  C8x C    26.7887  -16.5262
            20  C1b C    30.4282  -17.2228
            21  C7a C    31.6385  -16.5291
            22  O7a O    32.8487  -17.2298
            23  C1b C    34.0590  -16.5363
            24  C5a C    35.2692  -17.2369
            25  N1c N    36.4795  -16.5434
            26  C1a C    37.6897  -17.2441
            27  O7a O    31.6415  -15.1278
            28  O5a O    35.2662  -18.6383
            29  C1a C    36.4825  -15.1421
            30  S4a S    19.7909  -18.0502
            31  C1a C    18.3910  -18.0327
            32  O1d O    21.1908  -18.0444
            33  O3c O    19.7909  -16.6387
            34  O3c O    19.7851  -19.4559
BOND        34
            1     1   2 2
            2    13  15 2
            3    15  16 1
            4    16  17 2
            5    17  18 1
            6    18  19 2
            7    19  13 1
            8     8   9 2
            9    17  20 1
            10    2   3 1
            11   20  21 1
            12    8  10 1
            13   21  22 1
            14    3   4 2
            15   22  23 1
            16    1  11 1
            17   23  24 1
            18    4   5 1
            19   24  25 1
            20   11  12 1
            21   25  26 1
            22    5   6 2
            23   21  27 2
            24   12  13 1
            25   24  28 2
            26    6   1 1
            27   25  29 1
            28   11  14 2
            29    4   7 1
            30    7   8 1
            31   30  31 1
            32   30  32 1
            33   30  33 2
            34   30  34 2


entry: D01767
name: --- - Tenoxicam (JAN/USAN) - Tilcotil (TN)
formula: C13H11N3O4S2
activity: Anti-inflammatory
remark: Therapeutic category: 1149
kcf:
ATOM        22
            1   S2x S    22.9655  -19.9925
            2   N4y N    24.1749  -19.2919
            3   C8y C    24.1749  -17.8906
            4   C8y C    22.9655  -17.1899
            5   C5a C    25.3797  -17.1899
            6   N1b N    26.5899  -17.8906
            7   C8y C    27.8001  -17.1899
            8   O5a O    25.3783  -15.7886
            9   N5x N    29.0120  -17.8877
            10  C8x C    30.2222  -17.1870
            11  C8x C    30.2205  -15.7886
            12  C8x C    29.0086  -15.0909
            13  C8x C    27.7984  -15.7915
            14  O3c O    21.7421  -20.6861
            15  O3c O    24.1695  -20.6932
            16  C8y C    21.7490  -19.2919
            17  C8y C    21.7458  -17.8901
            18  S2x S    20.4116  -17.4600
            19  C8x C    19.5905  -18.5960
            20  C8x C    20.4170  -19.7282
            21  O1a O    22.9682  -15.7886
            22  C1a C    25.3890  -19.9917
BOND        24
            1    16   1 1
            2     7   9 2
            3     9  10 1
            4    10  11 2
            5    11  12 1
            6    12  13 2
            7    13   7 1
            8     5   6 1
            9     1  14 2
            10    1   2 1
            11    1  15 2
            12    6   7 1
            13    2   3 1
            14    5   8 2
            15    3   4 2
            16    4  17 1
            17   16  17 2
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  16 1
            22    4  21 1
            23    3   5 1
            24    2  22 1


entry: D01768
name: --- - Oxybuprocaine hydrochloride (JP15) - Benoxinate hydrochloride (USP) - Dorsacaine (TN)
formula: C17H29N2O3. Cl
activity: Anesthetic [topical]
remark: Therapeutic category: 1219 1313
kcf:
ATOM        23
            1   C8y C    18.7763  -16.9855
            2   C8y C    18.7763  -15.5836
            3   C8x C    19.9933  -14.8826
            4   C8x C    21.2032  -15.5836
            5   C8y C    21.2032  -16.9855
            6   C8x C    19.9933  -17.6864
            7   C7a C    22.4085  -17.6864
            8   O7a O    23.6192  -16.9855
            9   C1b C    24.8300  -17.6864
            10  C1b C    26.0407  -16.9855
            11  N1c N    27.2514  -17.6864 #+
            12  C1b C    28.4622  -16.9855
            13  C1a C    29.6729  -17.6864
            14  O7a O    22.4071  -19.0883
            15  C1b C    27.2514  -19.0883
            16  C1a C    28.4656  -19.7893
            17  N1a N    17.5625  -14.8819
            18  O2a O    17.5625  -17.6869
            19  C1b C    16.3477  -16.9924
            20  C1b C    15.1369  -17.6934
            21  C1b C    13.9262  -16.9996
            22  C1a C    12.7155  -17.7005
            23  X   Cl   26.9257  -14.9290 #-
BOND        22
            1    10  11 1
            2     4   5 1
            3    11  12 1
            4     5   6 2
            5    12  13 1
            6     6   1 1
            7     7  14 2
            8    11  15 1
            9     5   7 1
            10   15  16 1
            11    2  17 1
            12    7   8 1
            13    1  18 1
            14    1   2 2
            15   18  19 1
            16    8   9 1
            17   19  20 1
            18    2   3 1
            19   20  21 1
            20    9  10 1
            21   21  22 1
            22    3   4 2


entry: D01769
name: --- - Vindesine sulfate (JAN/USAN) - Fildesin (TN)
formula: C43H55N5O7. H2SO4
activity: Antineoplastic
remark: Therapeutic category: 4240
kcf:
ATOM        60
            1   S4a S    35.2967  -18.7069
            2   O3c O    35.2898  -17.3138
            3   O3c O    35.2898  -20.1001
            4   O1d O    36.6898  -18.7069
            5   O1d O    33.9036  -18.7000
            6   C1z C    32.4769  -23.9191
            7   C1y C    33.6075  -23.2524
            8   C1y C    32.4827  -25.2239
            9   C8y C    30.2271  -23.9191
            10  C1x C    31.6420  -22.8407
            11  C1z C    34.7500  -23.9134
            12  N1y N    33.5959  -21.9303
            13  C1z C    33.6191  -25.8733
            14  N1y N    31.3462  -25.8733
            15  C8y C    30.2271  -25.2239
            16  C8x C    29.0905  -23.2697
            17  C1x C    32.3030  -21.9250
            18  C1y C    34.6916  -25.2297
            19  C2x C    35.8807  -23.2408
            20  C1b C    35.8459  -24.5455
            21  C1x C    34.7441  -21.2693
            22  C5a C    34.5122  -27.0521
            23  O1a O    33.1263  -27.7753
            24  C1a C    31.3326  -27.2491
            25  C8x C    29.0905  -25.8792
            26  C8y C    27.9830  -23.9134
            27  O1a O    37.1932  -26.0776
            28  C2x C    35.8864  -21.9187
            29  C1a C    36.9591  -23.9077
            30  N1a N    34.5014  -28.3220
            31  C8y C    27.9830  -25.2239
            32  C1z C    25.5581  -21.7439
            33  O2a O    26.8697  -25.8617
            34  C8y C    24.4333  -20.9843
            35  C1x C    26.8221  -21.0076
            36  C7a C    25.1986  -23.0429
            37  C1a C    25.7565  -25.2122
            38  C8y C    24.4333  -19.6391
            39  N4x N    23.3083  -21.6570
            40  C1y C    26.8221  -19.7203
            41  O7a O    23.7607  -23.5010
            42  O7a O    26.0277  -24.0751
            43  C8y C    22.1196  -19.6391
            44  C1x C    23.7084  -18.5373
            45  C8y C    22.1196  -20.9843
            46  C1x C    25.6857  -19.1057
            47  C1x C    27.9060  -18.9027
            48  C1a C    22.8908  -24.9216
            49  C8x C    20.9773  -18.9724
            50  C1x C    24.4795  -17.5516
            51  C8x C    20.9773  -21.6570
            52  N1y N    25.6857  -17.8647
            53  C1z C    27.9471  -17.7605
            54  C8x C    19.8988  -19.6391
            55  C8x C    19.8988  -20.9843
            56  C1x C    26.8164  -17.1110
            57  C1b C    29.4548  -18.2881
            58  O1a O    28.7879  -16.4673
            59  C1a C    30.5158  -17.6503
            60  O5a O    35.8176  -26.5198
BOND        67
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     6   7 1
            6     6   8 1
            7     6   9 1
            8     6  10 1 #Up
            9     7  11 1
            10    7  12 1
            11    8  13 1
            12    8  14 1
            13    9  15 2
            14    9  16 1
            15   10  17 1
            16   11  18 1
            17   11  19 1
            18   11  20 1 #Down
            19   12  21 1
            20   13  22 1 #Down
            21   13  23 1 #Up
            22   14  24 1
            23   15  25 1
            24   16  26 2
            25   18  27 1 #Up
            26   19  28 2
            27   20  29 1
            28   22  30 1
            29   25  31 2
            30   32  26 1 #Down
            31   31  33 1
            32   32  34 1
            33   32  35 1
            34   32  36 1 #Up
            35   33  37 1
            36   34  38 2
            37   34  39 1
            38   35  40 1
            39   36  41 1
            40   36  42 2
            41   38  43 1
            42   38  44 1
            43   39  45 1
            44   40  46 1 #Down
            45   40  47 1
            46   41  48 1
            47   43  49 1
            48   44  50 1
            49   45  51 1
            50   52  46 1 #Down
            51   47  53 1
            52   49  54 2
            53   51  55 2
            54   52  56 1
            55   53  57 1 #Down
            56   53  58 1 #Up
            57   57  59 1
            58   12  17 1
            59   13  18 1
            60   14  15 1
            61   21  28 1
            62   26  31 1
            63   43  45 2
            64   50  52 1
            65   53  56 1
            66   54  55 1
            67   22  60 2


entry: D01770
name: --- - Malotilate (JAN/USAN) - Kantec (TN)
formula: C12H16O4S2
activity: Liver disorder treatment
remark: Therapeutic category: 3919
kcf:
ATOM        18
            1   S2x S    23.3648  -22.1463
            2   C8y C    23.7989  -20.8137
            3   S2x S    22.6675  -19.9907
            4   C8x C    21.5291  -20.8137
            5   C8x C    21.9630  -22.1463
            6   C2c C    25.0059  -20.1106
            7   C7a C    26.2175  -20.8079
            8   O7a O    27.4290  -20.1106
            9   C1c C    28.6404  -20.8079
            10  C1a C    29.8520  -20.1106
            11  C7a C    25.0059  -18.7160
            12  O7a O    26.2175  -18.0115
            13  C1c C    26.2175  -16.6169
            14  C1a C    27.4290  -15.9196
            15  O7a O    26.2804  -22.2095
            16  C1a C    28.6335  -22.2095
            17  O7a O    23.7874  -18.0115
            18  C1a C    24.9990  -15.9196
BOND        18
            1     8   9 1
            2     4   5 2
            3     9  10 1
            4     5   1 1
            5     6  11 1
            6    11  12 1
            7     2   6 2
            8    12  13 1
            9     1   2 1
            10   13  14 1
            11    6   7 1
            12    7  15 2
            13    2   3 1
            14    9  16 1
            15    7   8 1
            16   11  17 2
            17    3   4 1
            18   13  18 1


entry: D01771
name: --- - Proxyphylline (JAN) - Monophyllin (TN)
formula: C10H14N4O3
remark: Therapeutic category: 2115
comment: Component of Asthmolysin D (TN)
kcf:
ATOM        17
            1   C1a C    21.0546  -16.6294
            2   C1c C    22.2628  -17.3218
            3   C1b C    23.4711  -16.6223
            4   N4y N    24.6794  -17.3149
            5   C8y C    26.0184  -17.7358
            6   C8y C    26.0301  -19.1392
            7   C8y C    27.2465  -17.0400
            8   N4y N    27.2465  -19.8410
            9   N5x N    24.6968  -19.5895
            10  N4y N    28.4510  -17.7417
            11  O5x O    27.2465  -15.6424
            12  C8x C    23.8606  -18.4609
            13  C8y C    28.4510  -19.1392
            14  C1a C    27.2465  -21.2386
            15  C1a C    29.6615  -17.0457
            16  O5x O    29.6615  -19.8410
            17  O1a O    22.2659  -18.7209
BOND        18
            1     2   3 1
            2     1   2 1
            3     3   4 1
            4     5   6 2
            5     5   7 1
            6     5   4 1
            7     6   8 1
            8     6   9 1
            9     7  10 1
            10    7  11 2
            11    4  12 1
            12    8  13 1
            13    8  14 1
            14   10  15 1
            15   13  16 2
            16    9  12 2
            17   10  13 1
            18    2  17 1


entry: D01773
name: --- - Oxatomide (JAN/USAN) - Celtect (TN)
formula: C27H30N4O
activity: Anti-asthmatic; Anti-allergic
remark: Therapeutic category: 4490
kcf:
ATOM        32
            1   C8x C    20.0044  -21.6736
            2   C8x C    20.0044  -23.0747
            3   C8x C    21.2206  -23.7752
            4   C8x C    22.4298  -23.0747
            5   C8y C    22.4298  -21.6736
            6   C8x C    21.2206  -20.9731
            7   C1c C    23.6435  -20.9740
            8   C8y C    24.8564  -21.6753
            9   N1y N    23.6447  -19.5729
            10  C8x C    24.8497  -23.0745
            11  C8x C    26.0626  -23.7759
            12  C8x C    27.2765  -23.0762
            13  C8x C    27.2775  -21.6752
            14  C8x C    26.0647  -20.9738
            15  C1x C    24.8594  -18.8770
            16  C1x C    24.8604  -17.4760
            17  N1y N    23.6476  -16.7744
            18  C1x C    22.4338  -17.4741
            19  C1x C    22.4328  -18.8751
            20  C1b C    23.6488  -15.3734
            21  C1b C    24.8625  -14.6739
            22  C1b C    24.8637  -13.2728
            23  N4y N    26.0774  -12.5732
            24  N4x N    27.5941  -10.8952
            25  C8y C    26.2234  -11.1854
            26  C8y C    28.2937  -12.1089
            27  C8y C    27.3521  -13.1428
            28  C8x C    27.7766  -14.4754
            29  C8x C    29.1429  -14.7739
            30  C8x C    30.0847  -13.7400
            31  C8x C    29.6601  -12.4074
            32  O5x O    25.1828  -10.2475
BOND        36
            1     7   8 1
            2     2   3 1
            3     7   9 1
            4     9  15 1
            5    15  16 1
            6    16  17 1
            7    17  18 1
            8    18  19 1
            9    19   9 1
            10    3   4 2
            11   17  20 1
            12    4   5 1
            13   20  21 1
            14    5   6 2
            15   21  22 1
            16    6   1 1
            17   22  23 1
            18    8  10 2
            19   23  27 1
            20   26  24 1
            21   24  25 1
            22   25  23 1
            23   10  11 1
            24   11  12 2
            25   12  13 1
            26   13  14 2
            27   14   8 1
            28    5   7 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   31  26 1
            35    1   2 2
            36   25  32 2


entry: D01774
name: --- - Adipiodone (JAN) - Iodipamide (USP)
formula: C20H14I6N2O6
remark: Therapeutic category: 7211
kcf:
ATOM        34
            1   C6a C    34.2338  -21.1630
            2   O6a O    33.0201  -21.8617
            3   O6a O    35.4457  -21.8648
            4   C8y C    34.2198  -19.7626
            5   C8y C    32.9333  -19.0624
            6   C8y C    32.9333  -17.6620
            7   C8y C    34.1491  -16.9618
            8   C8x C    35.3577  -17.6620
            9   C8y C    35.3577  -19.0624
            10  X   I    31.7209  -19.7633
            11  X   I    36.5708  -19.7618
            12  X   I    34.1508  -15.5614
            13  N1b N    31.7178  -16.9367
            14  C6a C    20.8133  -13.4128
            15  O6a O    22.0270  -12.7141
            16  O6a O    19.6015  -12.7111
            17  C8y C    20.8123  -14.8061
            18  C8y C    22.0289  -15.5063
            19  C8y C    22.0289  -16.9067
            20  C8y C    20.8132  -17.6069
            21  C8x C    19.6046  -16.9067
            22  C8y C    19.6046  -15.5063
            23  X   I    20.8115  -19.0073
            24  X   I    18.3912  -14.8071
            25  X   I    23.2414  -14.8055
            26  N1b N    23.2383  -17.6069
            27  C5a C    24.4478  -16.9138
            28  C1b C    25.6572  -17.6140
            29  C1b C    26.8666  -16.9209
            30  O5a O    24.4510  -15.5134
            31  C1b C    28.0773  -17.6250
            32  C1b C    29.2923  -16.9287
            33  C5a C    30.5028  -17.6330
            34  O5a O    30.4982  -19.0332
BOND        35
            1     7   8 2
            2     8   9 1
            3     9   4 2
            4     1   3 2
            5     1   4 1
            6     1   2 1
            7     4   5 1
            8     5  10 1
            9     5   6 2
            10   18  25 1
            11   19  26 1
            12   20  21 2
            13   26  27 1
            14   27  28 1
            15   21  22 1
            16   28  29 1
            17   22  17 2
            18   17  18 1
            19   20  23 1
            20   18  19 2
            21   22  24 1
            22   27  30 2
            23   17  14 1
            24   14  15 1
            25   14  16 2
            26   19  20 1
            27    9  11 1
            28   29  31 1
            29    7  12 1
            30   31  32 1
            31    6   7 1
            32   32  33 1
            33   33  13 1
            34    6  13 1
            35   33  34 2


entry: D01775
name: --- - Bifonazole (JP15/USAN) - Mycospor (TN)
formula: C22H18N2
activity: Antifungal
remark: Therapeutic category: 2655
kcf:
ATOM        24
            1   C8x C    19.4161  -17.3948
            2   C8y C    19.4161  -18.7956
            3   C8x C    20.6322  -19.4960
            4   C8x C    21.8411  -18.7956
            5   C8y C    21.8411  -17.3948
            6   C8x C    20.6322  -16.6944
            7   C1c C    23.0546  -16.6953
            8   C8y C    24.2673  -17.3967
            9   C8x C    24.2606  -18.7954
            10  C8x C    25.4733  -19.4967
            11  C8x C    26.6870  -18.7973
            12  C8x C    26.6880  -17.3965
            13  C8x C    25.4753  -16.6951
            14  N4y N    23.0558  -15.2945
            15  C8x C    24.1890  -14.4800
            16  C8x C    23.7570  -13.1473
            17  N5x N    22.3562  -13.1464
            18  C8x C    21.9224  -14.4783
            19  C8y C    18.2033  -19.4967
            20  C8x C    16.9927  -18.7932
            21  C8x C    15.7798  -19.4943
            22  C8x C    15.7807  -20.8951
            23  C8x C    16.9942  -21.5948
            24  C8x C    18.2069  -20.8939
BOND        27
            1    10  11 2
            2    11  12 1
            3    12  13 2
            4    13   8 1
            5     7  14 1
            6     5   7 1
            7     1   2 2
            8     7   8 1
            9     2   3 1
            10   14  15 1
            11   15  16 2
            12   16  17 1
            13   17  18 2
            14   18  14 1
            15    3   4 2
            16    2  19 1
            17    4   5 1
            18    5   6 2
            19    6   1 1
            20    8   9 2
            21    9  10 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  19 1


entry: D01776
name: --- - Antipyrine (JP15/USP)
formula: C11H12N2O
activity: Analgesic
remark: Therapeutic category: 1144
comment: Component of Auralgan (TN)
kcf:
ATOM        14
            1   C8x C    25.3400  -15.8900
            2   C8x C    25.3400  -17.2900
            3   C8x C    26.5300  -17.9900
            4   C8x C    27.7900  -17.2900
            5   C8y C    27.7900  -15.8900
            6   C8x C    26.5300  -15.1900
            7   N4y N    28.9800  -15.1900
            8   N4y N    28.9800  -13.7900
            9   C1a C    27.7900  -13.0900
            10  C8y C    30.3100  -15.6100
            11  C8x C    31.1500  -14.4900
            12  C8y C    30.3100  -13.3700
            13  C1a C    30.7300  -12.0400
            14  O5x O    30.7300  -16.9400
BOND        15
            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    7  10 1
            11   10  11 1
            12   11  12 2
            13    8  12 1
            14   12  13 1
            15   10  14 2


entry: D01778
name: --- - Bromhexine hydrochloride (JP15/USAN) - Bisolvon (TN)
formula: C14H20Br2N2. HCl
activity: Expectorant; Mucolytic
remark: Therapeutic category: 2234
kcf:
ATOM        19
            1   C1d C    20.8159  -16.6935
            2   C1a C    20.1221  -15.4771
            3   N1a N    21.5096  -17.9098
            4   C1y C    22.0357  -16.0060
            5   C8y C    19.6031  -17.3933
            6   C8y C    19.6027  -18.7935
            7   C8y C    18.3901  -19.4934
            8   C8x C    17.1776  -18.7930
            9   C8y C    17.1779  -17.3928
            10  C8x C    18.3906  -16.6930
            11  N1a N    20.8152  -19.4940
            12  X   Br   18.3897  -20.8937
            13  X   Br   15.9654  -16.6925
            14  C1x C    23.2367  -16.7193
            15  C1x C    24.4565  -16.0318
            16  C1x C    24.4709  -14.6316
            17  C1x C    23.2655  -13.9191
            18  C1x C    22.0457  -14.6066
            19  X   Cl   26.4458  -17.5941
BOND        19
            1     8   9 1
            2     9  10 2
            3    10   5 1
            4     1   5 1
            5     6  11 1
            6     7  12 1
            7     1   3 1
            8     9  13 1
            9     1   4 1
            10    1   2 1
            11    5   6 2
            12    6   7 1
            13    4  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18   4 1
            19    7   8 2


entry: D01779
name: --- - Sodium acetate (JP15/USP) - Sodium acetate (TN)
formula: C2H3O2. 3H2O. Na
activity: Pharmaceutic aid [in dialysis solutions]
remark: Therapeutic category: 7190
kcf:
ATOM        8
            1   C1a C    22.5027  -19.1590
            2   C6a C    23.7151  -18.4590
            3   O0  O    24.9276  -19.1590 #-
            4   O6a O    23.7151  -17.0590
            5   Z   Na   26.7945  -19.2084 #+
            6   O0  O    31.6596  -18.5510
            7   O0  O    31.6596  -18.5510
            8   O0  O    31.6596  -18.5510
BOND        3
            1     2   4 2
            2     1   2 1
            3     2   3 1


entry: D01780
name: --- - Sodium carbonate (JP15)
formula: 10H2O. CO3. 2Na
activity: Pharmaceutic aid [alkalizing agent]
remark: Therapeutic category: 7290
kcf:
ATOM        16
            1   C6a C    15.6102  -16.6602
            2   O0  O    16.8226  -17.3602 #-
            3   O0  O    14.3978  -17.3602 #-
            4   O6a O    15.6102  -15.2602
            5   Z   Na   13.7202  -18.9702 #+
            6   Z   Na   16.5202  -18.9702 #+
            7   O0  O    21.2800  -17.0800
            8   O0  O    21.2800  -17.0800
            9   O0  O    21.2800  -17.0800
            10  O0  O    21.2800  -17.0800
            11  O0  O    21.2800  -17.0800
            12  O0  O    21.2800  -17.0800
            13  O0  O    21.2800  -17.0800
            14  O0  O    21.2800  -17.0800
            15  O0  O    21.2800  -17.0800
            16  O0  O    21.2800  -17.0800
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 2


entry: D01781
name: --- - Sodium citrate hydrate (JP15) - Sodium citrate (TN)
formula: C6H5O7. 2H2O. 3Na
remark: Therapeutic category: 3331 7190
comment: Component of ACD-A (TN), Ulalyt (TN)
kcf:
ATOM        18
            1   C1d C    28.0979  -18.6433
            2   C1b C    26.8866  -19.3396
            3   C1b C    29.3092  -19.3336
            4   C6a C    28.7884  -17.4261
            5   O1a O    27.3898  -17.4261
            6   C6a C    25.6811  -18.6491
            7   C6a C    29.2975  -20.7323
            8   O0  O    28.0803  -16.2091 #-
            9   O6a O    30.1928  -17.4261
            10  O0  O    24.4700  -19.3513 #-
            11  O6a O    25.6693  -17.2507
            12  O0  O    30.5087  -21.4344 #-
            13  O6a O    28.0803  -21.4285
            14  Z   Na   27.9111  -14.9322 #+
            15  Z   Na   21.9208  -19.3159 #+
            16  Z   Na   32.1767  -21.3480 #+
            17  O0  O    34.3000  -17.7100
            18  O0  O    34.3000  -17.7100
BOND        12
            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


entry: D01782
name: --- - Triprolidine hydrochloride (JAN/USP) - Venen (TN)
formula: C19H22N2. HCl. H2O
activity: Antihistaminic
remark: Therapeutic category: 4412
kcf:
ATOM        23
            1   X   Cl   29.7575  -15.7912
            2   C2b C    23.9165  -17.9663
            3   C1b C    22.7028  -17.2667
            4   N1y N    22.7018  -15.8660
            5   C1x C    21.5661  -15.0520
            6   C1x C    21.9980  -13.7193
            7   C1x C    23.3986  -13.7185
            8   C1x C    23.8326  -15.0503
            9   C8x C    20.2769  -20.0664
            10  C8y C    20.2769  -21.4672
            11  C8x C    21.4929  -22.1676
            12  C8x C    22.7018  -21.4672
            13  C8y C    22.7018  -20.0664
            14  C8x C    21.4929  -19.3660
            15  C2c C    23.9153  -19.3671
            16  C8y C    25.1280  -20.0683
            17  C8x C    25.1213  -21.4670
            18  C8x C    26.3340  -22.1684
            19  C8x C    27.5477  -21.4689
            20  C8x C    27.5487  -20.0681
            21  N5x N    26.3360  -19.3669
            22  C1a C    19.0641  -22.1683
            23  O0  O    30.1596  -17.6328
BOND        23
            1     4   5 1
            2     9  10 2
            3    10  11 1
            4    11  12 2
            5    12  13 1
            6    13  14 2
            7    14   9 1
            8     5   6 1
            9    13  15 1
            10    6   7 1
            11   15  16 1
            12    7   8 1
            13    8   4 1
            14    3   4 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   21  16 1
            21    2   3 1
            22   10  22 1
            23   15   2 2


entry: D01783
name: --- - Rolipram (JAN/USAN)
formula: C16H21NO3
activity: Tranquilizer
kcf:
ATOM        20
            1   C1y C    26.9657  -16.5438
            2   C8y C    25.7564  -17.2425
            3   C1x C    27.1124  -15.1643
            4   C1x C    28.2397  -17.1251
            5   C8x C    25.7564  -18.6398
            6   C8x C    24.5529  -16.5438
            7   N1x N    28.4804  -14.8708
            8   C5x C    29.1731  -16.0801
            9   C8y C    24.5529  -19.3383
            10  C8x C    23.3377  -17.2425
            11  O5x O    30.5644  -16.2268
            12  C8y C    23.3377  -18.6398
            13  O2a O    24.5558  -20.7429
            14  C1y C    23.3409  -21.4477
            15  O2a O    22.1219  -19.3431
            16  C1a C    20.9048  -18.6420
            17  C1x C    22.0562  -20.8796
            18  C1x C    21.1185  -21.9253
            19  C1x C    21.8235  -23.1402
            20  C1x C    23.1967  -22.8453
BOND        22
            1     5   9 2
            2     6  10 1
            3     8  11 2
            4     9  12 1
            5     7   8 1
            6    10  12 2
            7     9  13 1
            8     1   2 1
            9    13  14 1
            10    1   3 1
            11   12  15 1
            12    1   4 1
            13   15  16 1
            14    2   5 1
            15    2   6 2
            16    3   7 1
            17    4   8 1
            18   14  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  14 1


entry: D01784
name: --- - Carmofur (JP15) - Mifurol (TN)
formula: C11H16FN3O3
remark: Therapeutic category: 4223
kcf:
ATOM        18
            1   N4x N    29.4763  -14.8797
            2   C8y C    28.2888  -14.1812
            3   C8y C    27.0313  -14.8797
            4   C8x C    27.0313  -16.2769
            5   N4y N    28.2189  -16.9755
            6   C8y C    29.4763  -16.2769
            7   O5x O    30.6639  -16.9755
            8   X   F    25.8437  -14.1812
            9   O5x O    28.2888  -12.7840
            10  C5a C    28.2189  -18.3726
            11  O5a O    27.0313  -19.0712
            12  N1b N    29.4763  -19.0712
            13  C1b C    30.6863  -18.3726
            14  C1b C    31.8963  -19.0712
            15  C1b C    33.1063  -18.3726
            16  C1b C    34.3162  -19.0712
            17  C1b C    35.5262  -18.3726
            18  C1a C    36.7568  -19.0834
BOND        18
            1     2   9 2
            2     3   4 2
            3     5  10 1
            4     4   5 1
            5    10  11 2
            6     5   6 1
            7    10  12 1
            8     6   1 1
            9     6   7 2
            10    1   2 1
            11    3   8 1
            12    2   3 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1


entry: D01785
name: --- - Pirmenol hydrochloride (JAN/USAN) - Pimenol (TN)
formula: C22H30N2O. HCl
activity: Cardiac depressant [anti-arrhythmic]
remark: Therapeutic category: 2129
kcf:
ATOM        26
            1   C8x C    19.1663  -21.6527
            2   C8x C    19.1663  -23.0544
            3   C8x C    20.3832  -23.7552
            4   C8x C    21.5929  -23.0544
            5   C8y C    21.5929  -21.6527
            6   C8x C    20.3832  -20.9519
            7   C1d C    22.8073  -20.9529
            8   C8y C    24.0207  -21.6546
            9   C8x C    24.0141  -23.0542
            10  C8x C    25.2275  -23.7561
            11  C8x C    26.4418  -23.0561
            12  C8x C    26.4428  -21.6544
            13  N5x N    25.2296  -20.9527
            14  C1b C    22.8051  -19.5573
            15  C1b C    24.0156  -18.8565
            16  C1b C    24.0156  -17.4619
            17  N1y N    25.2262  -16.7611
            18  O1a O    22.7980  -22.3536
            19  C1y C    26.4384  -17.4590
            20  C1x C    27.6490  -16.7582
            21  C1x C    27.6473  -15.3594
            22  C1x C    26.4350  -14.6615
            23  C1y C    25.2245  -15.3623
            24  C1a C    24.0097  -14.6628
            25  C1a C    26.4401  -18.8607
            26  X   Cl   29.5768  -20.6483
BOND        27
            1    11  12 1
            2    12  13 2
            3    13   8 1
            4     6   1 1
            5     7  14 1
            6    14  15 1
            7     5   7 1
            8    15  16 1
            9    16  17 1
            10    7   8 1
            11    7  18 1
            12    1   2 2
            13    2   3 1
            14    3   4 2
            15    4   5 1
            16    5   6 2
            17   17  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   23  17 1
            23    8   9 2
            24   23  24 1 #Down
            25    9  10 1
            26   19  25 1 #Down
            27   10  11 2


entry: D01787
name: --- - Sultiame (JP15) - Sulthiame (USAN) - Ospolot (TN)
formula: C10H14N2O4S2
activity: Anticonvulsant
remark: Therapeutic category: 1137
kcf:
ATOM        18
            1   C1x C    30.4173  -17.6905
            2   C1x C    30.4173  -19.0866
            3   C1x C    29.2055  -19.7847
            4   C1x C    28.0004  -19.0866
            5   N1y N    28.0004  -17.6905
            6   S2x S    29.2055  -16.9924
            7   O3c O    28.0058  -16.2873
            8   O3c O    30.4244  -16.2944
            9   C8y C    24.5167  -15.6832
            10  C8x C    25.6663  -15.0003
            11  C8x C    24.5227  -17.0310
            12  S4a S    23.3439  -15.0120
            13  C8x C    26.8275  -15.6772
            14  C8x C    25.6780  -17.6963
            15  N1a N    24.1025  -13.7457
            16  O3c O    22.0251  -14.2710
            17  O3c O    22.4920  -16.4826
            18  C8y C    26.8275  -17.0194
BOND        19
            1     3   4 1
            2     4   5 1
            3     5   6 1
            4     6   1 1
            5     6   7 2
            6     1   2 1
            7     6   8 2
            8     2   3 1
            9     9  12 1
            10   10  13 1
            11   11  14 2
            12   12  15 1
            13   12  16 2
            14   12  17 2
            15   13  18 2
            16   18   5 1
            17   14  18 1
            18    9  10 2
            19    9  11 1


entry: D01788
name: --- - Amfenac sodium (JAN/USAN) - Fenazox (TN)
formula: C15H12NO3. Na. H2O
activity: Anti-inflammatory
remark: Therapeutic category: 1147
kcf:
ATOM        21
            1   C8x C     7.2890  -13.4603
            2   C8x C     7.2890  -14.8615
            3   C8x C     8.5054  -15.5622
            4   C8x C     9.7147  -14.8615
            5   C8y C     9.7147  -13.4603
            6   C8x C     8.5054  -12.7597
            7   C5a C    10.9286  -12.7607
            8   C8y C    12.1416  -13.4622
            9   O5a O    10.9298  -11.3595
            10  C8x C    12.1350  -14.8614
            11  C8x C    13.3481  -15.5630
            12  C8x C    14.5621  -14.8632
            13  C8y C    14.5632  -13.4620
            14  C8y C    13.3501  -12.7605
            15  N1a N    13.3489  -11.3593
            16  C1b C    15.7670  -12.7597
            17  C6a C    16.9772  -13.4533
            18  O0  O    18.1874  -12.7527 #-
            19  O6a O    16.9802  -14.8546
            20  Z   Na   21.0890  -12.7527 #+
            21  O0  O    26.0168  -13.3234
BOND        20
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   1 1
            6     8  10 2
            7    10  11 1
            8    11  12 2
            9    12  13 1
            10   13  14 2
            11   14   8 1
            12   14  15 1
            13    5   7 1
            14   13  16 1
            15   16  17 1
            16    7   8 1
            17   17  18 1
            18    1   2 2
            19   17  19 2
            20    7   9 2


entry: D01789
name: --- - Nicotinyl alcohol tartrate (JAN)
formula: C4H6O6. C6H7NO
remark: Therapeutic category: 2172
kcf:
ATOM        18
            1   C8x C    19.5300  -15.8900
            2   C8y C    20.7900  -16.6600
            3   C8x C    18.3400  -16.6600
            4   C8x C    20.7900  -18.0600
            5   C1b C    21.9800  -15.9600
            6   C8x C    18.3400  -18.0600
            7   N5x N    19.5300  -18.7600
            8   O1a O    23.1700  -16.6600
            9   O6a O    32.3400  -17.3600
            10  C6a C    31.1500  -16.6600
            11  C1c C    29.9600  -17.3600
            12  C1c C    28.7700  -16.6600
            13  C6a C    27.5100  -17.3600
            14  O6a O    26.3200  -16.6600
            15  O6a O    31.1500  -15.2600
            16  O1a O    29.9600  -18.7600
            17  O1a O    28.7700  -15.2600
            18  O6a O    27.5100  -18.7600
BOND        17
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 1
            8     6   7 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   10  15 2
            15   11  16 1 #Down
            16   12  17 1 #Down
            17   13  18 2


entry: D01790
name: --- - Oxaliplatin (JAN/USAN) - Eloxatin (TN)
formula: C6H14N2. C2O4. Pt
activity: Antineoplastic [DNA adduct alkylating agent]
remark: Therapeutic category: 4291
kcf:
ATOM        15
            1   O0  O    27.6304  -16.6769 #-
            2   C6a C    28.8402  -17.3773
            3   C6a C    30.0500  -16.6769
            4   O0  O    31.2599  -17.3773 #-
            5   O6a O    28.8402  -18.7782
            6   O6a O    30.0500  -15.2761
            7   C1x C    18.8079  -16.6698
            8   C1x C    18.8079  -18.0706
            9   C1x C    20.0240  -18.7710
            10  C1y C    21.2329  -18.0706
            11  C1y C    21.2329  -16.6698
            12  C1x C    20.0240  -15.9694
            13  N1a N    22.4327  -15.9781
            14  N1a N    22.4241  -18.7572
            15  Z   Pt   24.9608  -17.2359 #2+
BOND        13
            1     2   3 1
            2     3   4 1
            3     2   5 2
            4     1   2 1
            5     3   6 2
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12   7 1
            12   11  13 1 #Up
            13   10  14 1 #Down


entry: D01791
name: --- - Glucuronamide (JAN) - Guronamin (TN)
formula: C6H11NO6
remark: Therapeutic category: 3916
kcf:
ATOM        13
            1   C1y C    21.0073  -14.2176
            2   C1y C    21.0073  -15.6238
            3   O2x O    22.2267  -13.5175
            4   C5a C    19.7879  -13.5117
            5   C1y C    22.2267  -16.3180
            6   O1a O    19.7996  -16.3239
            7   C1y C    23.4344  -14.2176
            8   N1a N    18.5802  -14.2119
            9   O5a O    19.7938  -12.1174
            10  C1y C    23.4344  -15.6238
            11  O1a O    22.2267  -17.7182
            12  O1a O    24.6478  -13.5234
            13  O1a O    24.6421  -16.3239
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Up
            11    7  12 1 #Up
            12   10  13 1 #Down
            13    7  10 1


entry: D01792
name: --- - 1,3,5-Trimethoxybenzene (JAN)
formula: C9H12O3
kcf:
ATOM        12
            1   C8y C     5.7500  -14.5917
            2   C8x C     5.7500  -15.4167
            3   C8y C     6.4662  -15.8292
            4   C8x C     7.1782  -15.4167
            5   C8y C     7.1782  -14.5917
            6   C8x C     6.4662  -14.1792
            7   O2a O     7.8930  -14.1797
            8   C1a C     8.6071  -14.5927
            9   O2a O     6.4672  -16.6542
            10  C1a C     5.7533  -17.0676
            11  O2a O     5.0357  -14.1788
            12  C1a C     5.0362  -13.3538
BOND        12
            1     6   1 1
            2     5   7 1
            3     1   2 2
            4     7   8 1
            5     2   3 1
            6     3   9 1
            7     3   4 2
            8     9  10 1
            9     4   5 1
            10    1  11 1
            11    5   6 2
            12   11  12 1


entry: D01793
name: --- - Bifemelane hydrochloride (JAN)
formula: C18H24NO. Cl
remark: Therapeutic category: 1190
kcf:
ATOM        21
            1   C8x C     8.9600   -8.9600
            2   C8x C     8.9600  -10.3600
            3   C8x C    10.1724  -11.0600
            4   C8x C    11.3849  -10.3600
            5   C8y C    11.3849   -8.9600
            6   C8x C    10.1724   -8.2600
            7   C8x C    13.8097  -10.3600
            8   C8y C    13.8097   -8.9600
            9   C1b C    12.5973   -8.2600
            10  C8x C    15.0222  -11.0600
            11  C8x C    16.2346  -10.3600
            12  C8x C    16.2346   -8.9600
            13  C8y C    15.0222   -8.2600
            14  O2a O    15.0222   -6.8603
            15  C1b C    16.2554   -6.1480
            16  C1b C    17.4615   -6.8441
            17  C1b C    18.6433   -6.1616
            18  C1b C    19.8376   -6.8510
            19  N1b N    21.0254   -6.1651 #+
            20  C1a C    22.2166   -6.8528
            21  X   Cl   20.9300   -8.4000 #-
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     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   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


entry: D01794
name: --- - Bopindolol malonate (JAN) - Sandonorm (TN)
formula: C23H28N2O3. C3H4O4
remark: Therapeutic category: 2149
kcf:
ATOM        35
            1   C1b C    38.6650  -25.6293
            2   C6a C    37.4790  -24.9318
            3   C6a C    39.9206  -24.9318
            4   O6a O    36.2931  -25.6293
            5   O6a O    37.4790  -23.5366
            6   O6a O    41.1065  -25.6293
            7   O6a O    39.9206  -23.5366
            8   O2a O    25.8372  -23.1178
            9   C8y C    25.8372  -24.4432
            10  C8x C    27.0929  -25.1408
            11  C8x C    27.0929  -26.5360
            12  C8x C    25.8372  -27.2336
            13  C8y C    24.6513  -25.1408
            14  C8y C    24.6513  -26.5360
            15  N4x N    23.3258  -26.9545
            16  C8y C    22.4887  -25.7686
            17  C8x C    23.3258  -24.6525
            18  C1a C    21.0935  -25.7686
            19  C1b C    27.0929  -22.4202
            20  C1c C    28.2788  -23.1178
            21  C1b C    29.4647  -22.4202
            22  N1b N    30.6506  -23.1178
            23  C1d C    31.8365  -22.4202
            24  C1a C    33.0922  -23.1178
            25  C1a C    31.8365  -21.0250
            26  C1a C    33.0922  -21.6528
            27  C7a C    28.9764  -25.7686
            28  O7a O    28.2788  -26.9545
            29  C8y C    30.3715  -25.7686
            30  C8x C    31.0691  -26.9545
            31  C8x C    32.4643  -26.9545
            32  C8x C    31.0691  -24.5130
            33  C8x C    32.4643  -24.5130
            34  C8x C    33.1619  -25.7686
            35  O7a O    28.2788  -24.5130
BOND        36
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 2
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10   12  14 1
            11   13   9 1
            12    8   9 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   16  17 2
            17   17  13 1
            18   16  18 1
            19    8  19 1
            20   19  20 1
            21   23  24 1
            22   23  25 1
            23   23  26 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   27  28 2
            28   27  29 1
            29   29  30 1
            30   30  31 2
            31   29  32 2
            32   32  33 1
            33   33  34 2
            34   34  31 1
            35   27  35 1
            36   20  35 1


entry: D01795
name: --- - Tilisolol hydrochloride (JAN) - Selecal (TN)
formula: C17H25N2O3. Cl
remark: Therapeutic category: 2149
kcf:
ATOM        23
            1   C8x C    16.6600  -17.9200
            2   C8x C    16.6600  -16.5200
            3   C8x C    17.8500  -15.8200
            4   C8x C    17.8500  -18.6200
            5   C8y C    19.0400  -17.9200
            6   C8y C    19.0400  -16.5200
            7   C8y C    20.3000  -15.8200
            8   C8x C    21.4900  -16.5200
            9   N4y N    21.4900  -17.9200
            10  C8y C    20.3000  -18.6200
            11  O5x O    20.3000  -20.0200
            12  O2a O    20.3000  -14.4200
            13  C1b C    21.4900  -13.7200
            14  C1c C    22.6800  -14.4200
            15  C1b C    23.9400  -13.7200
            16  N1b N    25.1300  -14.4200 #+
            17  C1d C    26.3200  -13.7900
            18  O1a O    22.6800  -15.8200
            19  C1a C    26.3200  -12.3900
            20  C1a C    27.5800  -14.4900
            21  C1a C    27.5800  -13.0900
            22  C1a C    22.7500  -18.6200
            23  X   Cl   24.9200  -16.5200 #-
BOND        23
            1     4   1 1
            2    10  11 2
            3     7  12 1
            4    12  13 1
            5     1   2 2
            6    13  14 1
            7     2   3 1
            8    14  15 1
            9     3   6 2
            10   15  16 1
            11    5   4 2
            12   16  17 1
            13    5   6 1
            14   14  18 1
            15    6   7 1
            16   17  19 1
            17    7   8 2
            18   17  20 1
            19    8   9 1
            20   17  21 1
            21    9  10 1
            22    9  22 1
            23   10   5 1


entry: D01796
name: --- - Meglumine (JP15/USP)
formula: C7H17NO5
activity: Diagnostic aid [radiopaque medium]
kcf:
ATOM        13
            1   C1a C    16.3537  -17.7303
            2   N1b N    17.5648  -17.0315
            3   C1b C    18.7760  -17.7303
            4   C1c C    19.9871  -17.0315
            5   C1c C    21.1983  -17.7303
            6   C1c C    22.4095  -17.0315
            7   C1c C    23.6206  -17.7303
            8   C1b C    24.8317  -17.0781
            9   O1a O    26.0430  -17.7768
            10  O1a O    19.9871  -15.6340
            11  O1a O    21.1983  -19.1278
            12  O1a O    22.4095  -15.6340
            13  O1a O    23.6206  -19.1743
BOND        12
            1     6   7 1
            2     3   4 1
            3     7   8 1
            4     8   9 1
            5     4   5 1
            6     4  10 1 #Down
            7     2   3 1
            8     5  11 1 #Down
            9     5   6 1
            10    6  12 1 #Down
            11    1   2 1
            12    7  13 1 #Up


entry: D01797
name: --- - Iopamidol (JP15/USP) - Iopamiron 300 (TN)
formula: C17H22I3N3O8
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7219
kcf:
ATOM        31
            1   C5a C    20.1290  -14.8905
            2   N1b N    21.3432  -14.1916
            3   O5a O    18.9167  -14.1885
            4   C8y C    20.1280  -16.2843
            5   C8y C    21.3450  -16.9848
            6   C8y C    21.3450  -18.3857
            7   C8y C    20.1288  -19.0862
            8   C8y C    18.9198  -18.3857
            9   C8y C    18.9198  -16.9848
            10  X   I    20.1271  -20.4871
            11  X   I    17.7060  -16.2853
            12  X   I    22.5580  -16.2838
            13  C5a C    17.7060  -19.0853
            14  N1b N    16.4983  -18.3787
            15  C1c C    15.2884  -19.0792
            16  C1b C    14.0785  -18.3787
            17  O5a O    17.7014  -20.4863
            18  O1a O    14.0785  -16.9778
            19  N1b N    22.5549  -19.0862
            20  C5a C    23.7648  -18.3928
            21  C1c C    24.9747  -19.0933
            22  C1b C    15.2884  -20.4801
            23  O5a O    23.6980  -16.9919
            24  C1c C    21.3450  -12.7906
            25  C1b C    22.5592  -12.0917
            26  C1b C    20.1326  -12.0886
            27  O1a O    18.9184  -12.7876
            28  O1a O    24.9730  -20.4942
            29  C1a C    26.1889  -18.3944
            30  O1a O    23.7716  -12.7937
            31  O1a O    14.0416  -21.1996
BOND        31
            1     7   8 2
            2    19  20 1
            3     8  13 1
            4    20  21 1
            5     8   9 1
            6    13  14 1
            7     9   4 2
            8    14  15 1
            9     4   5 1
            10   15  16 1
            11    7  10 1
            12    5   6 2
            13   13  17 2
            14    9  11 1
            15   15  22 1
            16   20  23 2
            17    2  24 1
            18   24  25 1
            19    4   1 1
            20    1   2 1
            21    1   3 2
            22    6   7 1
            23   24  26 1
            24   16  18 1
            25   26  27 1
            26   21  28 1 #Down
            27    5  12 1
            28   21  29 1
            29    6  19 1
            30   25  30 1
            31   22  31 1


entry: D01798
name: --- - Sapropterin hydrochloride (JAN) - Sapropterin dihydrochloride (USAN) - Biopten (TN)
formula: C9H15N5O3. 2HCl
activity: Tretment of mild-to-moderate phenylketonuria (PKU)
remark: Therapeutic category: 3999
kcf:
ATOM        19
            1   N5x N    19.7015  -17.4044
            2   C8y C    19.7015  -18.8056
            3   N4x N    20.9179  -19.5062
            4   C8y C    20.9179  -16.7038
            5   C8y C    22.1272  -17.4044
            6   C8y C    22.1211  -18.8056
            7   N1x N    23.3315  -19.5114
            8   C1x C    24.5481  -18.8159
            9   C1y C    24.5541  -17.4147
            10  N1x N    23.3436  -16.7090
            11  C1c C    25.7591  -16.7180
            12  C1c C    26.9692  -17.4186
            13  C1a C    28.1793  -16.7250
            14  O1a O    26.9661  -18.8198
            15  O1a O    25.7596  -15.3169
            16  N1a N    18.4884  -19.5068
            17  O5x O    20.9196  -15.3026
            18  X   Cl   31.9459  -17.9706
            19  X   Cl   31.9459  -17.9706
BOND        18
            1     8   9 1
            2     9  10 1
            3    10   5 1
            4     4   1 1
            5     9  11 1
            6    11  12 1
            7    12  13 1
            8     1   2 2
            9    12  14 1 #Down
            10    2   3 1
            11   11  15 1 #Up
            12    3   6 1
            13    2  16 1
            14    5   4 1
            15    4  17 2
            16    5   6 2
            17    6   7 1
            18    7   8 1


entry: D01799
name: --- - Glyclopyramide (JAN) - Deamelin-S (TN)
formula: C11H14ClN3O3S
remark: Therapeutic category: 3961
kcf:
ATOM        19
            1   N1b N    31.4133  -14.1223
            2   C5a C    32.6238  -14.8231
            3   N1b N    33.8343  -14.1223
            4   N1y N    35.0448  -14.8231
            5   O5a O    32.6238  -16.2248
            6   C1x C    36.3775  -14.3901
            7   C1x C    37.1983  -15.5228
            8   C1x C    36.3745  -16.6532
            9   C1x C    35.0450  -16.2193
            10  S4a S    30.1987  -14.8218
            11  C8x C    26.5671  -15.5226
            12  C8y C    26.5671  -16.9242
            13  C8x C    27.7839  -17.6250
            14  C8x C    28.9936  -16.9242
            15  C8y C    28.9936  -15.5226
            16  C8x C    27.7839  -14.8218
            17  X   Cl   25.3536  -17.6255
            18  O3c O    29.4907  -13.6041
            19  O3c O    30.8924  -16.0323
BOND        20
            1     2   5 2
            2     1  10 1
            3     2   3 1
            4     1   2 1
            5     3   4 1
            6     4   6 1
            7     6   7 1
            8    11  12 2
            9    12  13 1
            10   13  14 2
            11   14  15 1
            12   15  16 2
            13   16  11 1
            14    7   8 1
            15   12  17 1
            16   15  10 1
            17    8   9 1
            18   10  18 2
            19    9   4 1
            20   10  19 2


entry: D01800
name: --- - Glucuronolactone (JAN) - Glucurolactone - Guronsan (TN)
formula: C6H8O6
remark: Therapeutic category: 3916
kcf:
ATOM        12
            1   C1y C    30.8361  -16.6679
            2   C1y C    31.2719  -15.3374
            3   O7x O    30.1362  -14.5116
            4   C7x C    29.0007  -15.3374
            5   C1y C    29.4362  -16.6679
            6   O7x O    27.6686  -14.9066
            7   O1a O    28.6146  -17.8014
            8   O1a O    31.6576  -17.8014
            9   C4a C    33.6967  -15.3374
            10  C1c C    32.4843  -14.6374
            11  O4a O    34.8921  -14.6470
            12  O1a O    32.4843  -13.2300
BOND        12
            1     1   2 1
            2     5   7 1 #Down
            3     2   3 1
            4     1   8 1 #Down
            5     3   4 1
            6     4   5 1
            7     5   1 1
            8     4   6 2
            9     9  10 1
            10    2  10 1
            11    9  11 2
            12   10  12 1 #Up


entry: D01801
name: --- - Thonzylamine hydrochloride (JAN/USAN) - Super anahist (TN)
formula: C16H22N4O. HCl
remark: Therapeutic category: 4419
kcf:
ATOM        22
            1   C8y C    20.6138  -16.5034
            2   N5x N    20.6138  -15.1024
            3   C8x C    19.3976  -14.4019
            4   C8x C    18.1884  -15.1024
            5   C8x C    18.1884  -16.5034
            6   N5x N    19.3976  -17.2040
            7   N1c N    21.8269  -17.2046
            8   C1b C    21.8261  -18.6057
            9   C1b C    23.0405  -16.5048
            10  C8y C    24.2535  -17.2058
            11  C8x C    24.2479  -18.6013
            12  C8x C    25.4608  -19.3025
            13  C8y C    26.6746  -18.6025
            14  C8x C    26.6752  -17.2014
            15  C8x C    25.4623  -16.5004
            16  O2a O    27.8876  -19.3037
            17  C1a C    29.1014  -18.6038
            18  C1b C    20.6210  -19.3127
            19  N1c N    20.6210  -20.7066
            20  C1a C    19.4110  -21.4071
            21  C1a C    21.8347  -21.4065
            22  X   Cl   32.9062  -18.2396
BOND        22
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   1 1
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  10 1
            11    1   7 1
            12   13  16 1
            13   16  17 1
            14    7   8 1
            15    8  18 1
            16    1   2 2
            17   18  19 1
            18    7   9 1
            19   19  20 1
            20    2   3 1
            21   19  21 1
            22    9  10 1


entry: D01802
formula: C10H14N2O8. 2H2O. 2Na
activity: Chelating agent [metal]; Pharmaceutic aid [chelating agent]
remark: Therapeutic category: 2730
comment: Component of Morhonine (TN)
name:
--- 
- Disodium edetate (JP15)
- Edetate disodium (USP)
- Disodium edetate dihydrate
- Endrate (TN)

kcf:
ATOM        24
            1   O0  O    19.5106  -20.2366 #-
            2   C6a C    20.7215  -19.5355
            3   C1b C    21.9324  -20.2295
            4   N1c N    23.1433  -19.5284
            5   C1b C    24.3542  -20.2225
            6   C1b C    25.5652  -19.5214
            7   N1c N    26.7761  -20.2153
            8   C1b C    27.9870  -19.5143
            9   C6a C    29.1979  -20.2082
            10  O0  O    30.4088  -19.5072 #-
            11  O6a O    20.7184  -18.1334
            12  C1b C    23.1403  -18.1263
            13  C1b C    26.7791  -21.6175
            14  O6a O    29.2010  -21.6103
            15  C6a C    24.3531  -17.4227
            16  O6a O    24.3500  -16.0206
            17  O6a O    25.5689  -18.1210
            18  C6a C    25.5665  -22.3212
            19  O6a O    25.5696  -23.7234
            20  O6a O    24.3507  -21.6227
            21  Z   Na   16.8197  -20.2366 #+
            22  Z   Na   32.4058  -19.5284 #+
            23  O0  O    36.8930  -19.8683
            24  O0  O    36.8930  -19.8683
BOND        19
            1     2  11 2
            2     4  12 1
            3     4   5 1
            4     7  13 1
            5     9  14 2
            6     5   6 1
            7    12  15 1
            8     1   2 1
            9    15  16 2
            10    6   7 1
            11   15  17 1
            12   13  18 1
            13    7   8 1
            14   18  19 2
            15    2   3 1
            16   18  20 1
            17    8   9 1
            18    9  10 1
            19    3   4 1


entry: D01803
name: --- - Plaunotol (JAN) - Kelnac (TN)
formula: C20H34O2
remark: Therapeutic category: 2329
kcf:
ATOM        22
            1   C1a C    14.9406  -17.7676
            2   C2c C    16.1516  -18.4687
            3   C2b C    17.3626  -17.7676
            4   C1b C    18.5736  -18.4687
            5   C1b C    19.7846  -17.7676
            6   C2c C    20.9956  -18.4687
            7   C2b C    22.2066  -17.7676
            8   C1b C    23.4176  -18.4687
            9   C1b C    24.6286  -17.7676
            10  C2c C    25.8396  -18.4687
            11  C2b C    27.0506  -17.7676
            12  C1b C    28.2616  -18.4687
            13  C1b C    29.4726  -17.7676
            14  C2c C    30.6836  -18.4687
            15  C2b C    31.8946  -17.7676
            16  C1b C    33.1056  -18.4687
            17  O1a O    34.3166  -17.7676
            18  C1a C    16.1516  -19.8709
            19  C1a C    20.9956  -19.8709
            20  C1b C    25.8396  -19.8709
            21  C1a C    30.6836  -19.8709
            22  O1a O    27.0487  -20.5691
BOND        21
            1     5   6 1
            2    11  12 1
            3     1   2 1
            4    12  13 1
            5     6   7 2
            6    13  14 1
            7     3   4 1
            8    14  15 2
            9     7   8 1
            10   15  16 1
            11   16  17 1
            12    8   9 1
            13    2  18 1
            14    4   5 1
            15    6  19 1
            16    9  10 1
            17   10  20 1
            18    2   3 2
            19   10  11 2
            20   14  21 1
            21   20  22 1


entry: D01804
name: --- - Cadralazine (JAN) - Cadral (TN)
formula: C12H21N5O3
remark: Therapeutic category: 2142
kcf:
ATOM        20
            1   C8x C    20.9644  -10.4655
            2   C8y C    20.9644  -11.8675
            3   N5x N    19.7474  -12.5684
            4   N5x N    18.5374  -11.8675
            5   C8y C    18.5374  -10.4655
            6   C8x C    19.7474   -9.7645
            7   N1b N    17.3321   -9.7715
            8   N1c N    22.1752  -12.5684
            9   C1b C    23.3860  -11.8675
            10  C1c C    24.5968  -12.5684
            11  C1a C    25.8076  -11.8675
            12  C1b C    22.1752  -13.9704
            13  C1a C    20.9612  -14.6714
            14  O1a O    24.5968  -13.9704
            15  N1b N    16.1213  -10.4725
            16  C7a C    14.9105   -9.7715
            17  O7a O    13.6997  -10.4725
            18  C1b C    12.4889   -9.7715
            19  C1a C    11.2781  -10.4725
            20  O7a O    14.9105   -8.3695
BOND        20
            1     9  10 1
            2     4   5 1
            3    10  11 1
            4     5   6 2
            5     8  12 1
            6     6   1 1
            7    12  13 1
            8    10  14 1
            9     5   7 1
            10    7  15 1
            11    1   2 2
            12   15  16 1
            13    2   8 1
            14   16  17 1
            15    2   3 1
            16   17  18 1
            17    8   9 1
            18   18  19 1
            19    3   4 2
            20   16  20 2


entry: D01805
name: --- - Aceglatone (JAN) - Glucaron (TN)
formula: C10H10O8
remark: Therapeutic category: 4291
kcf:
ATOM        18
            1   C1y C    26.0400  -17.0800
            2   C7x C    25.2700  -18.2000
            3   O7x O    26.0400  -19.3200
            4   C1y C    27.3700  -17.5000
            5   C1y C    27.3700  -18.9000
            6   C1y C    28.7000  -19.3200
            7   C7x C    29.5400  -18.2700
            8   O7x O    28.7000  -17.0800
            9   O7x O    30.9400  -18.2700
            10  O7x O    23.8700  -18.2000
            11  O7a O    25.6200  -15.7500
            12  O7a O    29.1200  -20.7200
            13  C7a C    24.2200  -15.7500
            14  C7a C    30.5200  -20.7200
            15  C1a C    31.2200  -21.9324
            16  O7a O    31.2200  -19.5076
            17  C1a C    23.5200  -14.5376
            18  O7a O    23.5200  -16.9624
BOND        19
            1     4   1 1
            2     1   2 1
            3     7   9 2
            4     2   3 1
            5     2  10 2
            6     3   5 1
            7     1  11 1 #Down
            8     4   5 1
            9     6  12 1 #Up
            10    5   6 1
            11    6   7 1
            12    7   8 1
            13    8   4 1
            14   11  13 1
            15   12  14 1
            16   14  15 1
            17   14  16 2
            18   13  17 1
            19   13  18 2


entry: D01806
name: --- - Oxprenolol hydrochloride (JP15/USP) - Okuspurecol (TN)
formula: C15H23NO3. HCl
activity: Vasodilator [coronary]
remark: Therapeutic category: 2123
kcf:
ATOM        20
            1   C8x C    15.2600  -14.7700
            2   C8x C    15.2600  -13.3700
            3   C8x C    16.5200  -12.6700
            4   C8x C    17.7100  -13.3700
            5   C8y C    17.7100  -14.7700
            6   C8y C    16.5200  -15.4700
            7   O2a O    18.9000  -15.4700
            8   C1b C    20.0900  -14.7700
            9   C1c C    21.3500  -15.4700
            10  C1b C    22.5400  -14.7700
            11  N1b N    23.7300  -15.4700
            12  C1c C    24.9900  -14.7700
            13  C1a C    26.1800  -15.4700
            14  O1a O    21.3500  -16.8700
            15  C1a C    24.9900  -13.3700
            16  O2a O    16.5200  -16.8700
            17  C1b C    17.7100  -17.5700
            18  C2b C    17.7100  -18.9700
            19  C2a C    18.9000  -19.6700
            20  X   Cl   28.9800  -18.0600
BOND        19
            1     2   3 1
            2     9  10 1
            3     3   4 2
            4    10  11 1
            5     4   5 1
            6    11  12 1
            7     5   6 2
            8    12  13 1
            9     6   1 1
            10    9  14 1
            11   12  15 1
            12    5   7 1
            13    6  16 1
            14   16  17 1
            15    7   8 1
            16   17  18 1
            17    1   2 2
            18   18  19 2
            19    8   9 1


entry: D01807
name: --- - Mebutamate (JAN/USAN) - Capla (TN) - Dormate (TN)
formula: C10H20N2O4
activity: Antihypertensive
remark: Therapeutic category: 2149
kcf:
ATOM        16
            1   C1d C    25.7347  -18.3649
            2   C1b C    26.9498  -17.6639
            3   C1b C    24.5198  -17.6639
            4   O7a O    28.1648  -18.3591
            5   O7a O    23.3049  -18.3649
            6   C7a C    29.3739  -17.6581
            7   C7a C    22.1015  -17.6639
            8   N1a N    30.5890  -18.3474
            9   O7a O    29.3682  -16.2562
            10  N1a N    20.8866  -18.3649
            11  O7a O    22.0898  -16.2620
            12  C1a C    25.7347  -16.9649
            13  C1c C    25.7347  -19.7649
            14  C1b C    24.5519  -20.4475
            15  C1a C    26.9548  -20.4697
            16  C1a C    24.5518  -21.8399
BOND        15
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     6   9 2
            9     7  10 1
            10    7  11 2
            11    1  12 1
            12    1  13 1
            13   13  14 1
            14   13  15 1
            15   14  16 1


entry: D01808
name: --- - Lobenzarit disodium (JAN) - Lobenzarit sodium (USAN) - Carfenil (TN)
formula: C14H8ClNO4. 2Na
activity: Antirheumatic
remark: Therapeutic category: 1149
kcf:
ATOM        22
            1   C8x C    22.0257  -19.7803
            2   C8x C    22.0257  -21.1807
            3   C8y C    23.2414  -21.8809
            4   C8x C    24.4500  -21.1807
            5   C8y C    24.4500  -19.7803
            6   C8y C    23.2414  -19.0801
            7   N1b N    25.6631  -19.0810
            8   C8y C    26.8754  -19.7822
            9   C8x C    26.8688  -21.1805
            10  C8x C    28.0811  -21.8816
            11  C8x C    29.3644  -21.1824
            12  C8x C    29.2954  -19.7820
            13  C8y C    28.0831  -19.0808
            14  C6a C    23.2431  -17.6798
            15  O0  O    24.4568  -16.9811 #-
            16  O6a O    22.0311  -16.9781
            17  C6a C    28.0819  -17.6804
            18  O6a O    29.2941  -16.9792
            19  O0  O    26.8686  -16.9813 #-
            20  X   Cl   23.2431  -23.2813
            21  Z   Na   26.7218  -14.8578 #+
            22  Z   Na   24.2465  -14.8578 #+
BOND        21
            1     3   4 2
            2     4   5 1
            3     8   9 2
            4     9  10 1
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13   8 1
            9     5   6 2
            10    6  14 1
            11    6   1 1
            12   14  15 1
            13   14  16 2
            14    5   7 1
            15   13  17 1
            16   17  18 2
            17    7   8 1
            18   17  19 1
            19    3  20 1
            20    1   2 2
            21    2   3 1


entry: D01809
name: --- - Bucillamine (JP15) - Bucilant (TN)
formula: C7H13NO3S2
remark: Therapeutic category: 4420
kcf:
ATOM        13
            1   C1d C    17.1328  -15.5557
            2   C5a C    18.3432  -14.8590
            3   N1b N    19.5539  -15.5487
            4   C1c C    20.7645  -14.8519
            5   O5a O    18.3402  -13.4583
            6   C1a C    15.9250  -14.8605
            7   C1a C    16.4007  -16.7451
            8   S1a S    17.8436  -16.7804
            9   C1b C    21.9791  -15.5473
            10  C6a C    20.7628  -13.4512
            11  S1a S    23.1922  -14.8490
            12  O6a O    21.9758  -12.7461
            13  O6a O    19.5480  -12.7490
BOND        12
            1     1   7 1
            2     4   3 1 #Down
            3     1   8 1
            4     4   9 1
            5     2   5 2
            6     4  10 1
            7     2   3 1
            8     9  11 1
            9     1   6 1
            10   10  12 1
            11    1   2 1
            12   10  13 2


entry: D01811
name: --- - Salicylamide (JAN/USP) - Salicylamide (TN)
formula: C7H7NO2
activity: Analgesic
remark: Therapeutic category: 1143
comment: Component of LL (TN), PL (TN)
kcf:
ATOM        10
            1   C8x C    23.9552  -17.7951
            2   C8x C    23.9552  -19.1953
            3   C8x C    25.1707  -19.8954
            4   C8x C    26.3792  -19.1953
            5   C8y C    26.3792  -17.7951
            6   C8y C    25.1707  -17.0949
            7   C5a C    25.1724  -15.6947
            8   N1a N    26.3859  -14.9961
            9   O5a O    23.9608  -14.9931
            10  O1a O    27.5923  -17.0958
BOND        10
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     6   7 1
            5     1   2 2
            6     7   8 1
            7     2   3 1
            8     7   9 2
            9     3   4 2
            10    5  10 1


entry: D01812
name: --- - Carbocromen hydrochloride (JAN) - Chromonar hydrochloride (USAN)
formula: C20H27NO5. HCl
activity: Vasodilator [coronary]
remark: Therapeutic category: 2171
kcf:
ATOM        27
            1   C8y C    30.1058  -14.9043
            2   C8y C    30.1058  -16.3065
            3   C8y C    28.8886  -17.0077
            4   O7x O    28.8886  -14.2032
            5   C8y C    27.6784  -14.9043
            6   C8y C    27.6845  -16.3065
            7   C8x C    26.4732  -17.0128
            8   C8x C    25.2557  -16.3169
            9   C8y C    25.2498  -14.9147
            10  C8x C    26.4611  -14.2083
            11  O2a O    24.0439  -14.2173
            12  C1b C    22.8329  -14.9184
            13  C7a C    21.6218  -14.2245
            14  O7a O    20.4108  -14.9256
            15  C1b C    19.1998  -14.2315
            16  C1a C    17.9888  -14.9326
            17  C1b C    31.3168  -17.0077
            18  C1b C    32.5278  -16.3135
            19  N1c N    33.7388  -17.0147
            20  C1b C    34.9498  -16.3207
            21  C1a C    36.1608  -17.0219
            22  O7x O    31.3199  -14.2026
            23  O7a O    21.6188  -12.8223
            24  C1a C    28.8853  -18.4099
            25  C1b C    33.7358  -18.4169
            26  C1a C    34.9486  -19.1207
            27  X   Cl   35.0185  -14.3448
BOND        27
            1    12  13 1
            2     1   2 1
            3    13  14 1
            4     2   3 2
            5    14  15 1
            6     3   6 1
            7    15  16 1
            8     5   4 1
            9     2  17 1
            10    5   6 2
            11   17  18 1
            12    6   7 1
            13   18  19 1
            14    7   8 2
            15   19  20 1
            16    8   9 1
            17   20  21 1
            18    9  10 2
            19    1  22 2
            20   10   5 1
            21   13  23 2
            22    4   1 1
            23    3  24 1
            24    9  11 1
            25   19  25 1
            26   25  26 1
            27   11  12 1


entry: D01813
name: --- - Inositol hexanicotinate (JAN) - Inositol niacinate (USAN) - Palohex (TN)
formula: C42H30N6O12
activity: Vasodilator [peripheral]
remark: Therapeutic category: 2172
kcf:
ATOM        60
            1   C1y C    22.7829  -16.5275
            2   C1y C    23.9947  -15.8253
            3   C1y C    22.7829  -17.9455
            4   C1y C    25.2256  -16.5275
            5   O7a O    23.9880  -14.4266
            6   C1y C    23.9947  -18.6609
            7   O7a O    21.5649  -18.6416
            8   C1y C    25.2256  -17.9455
            9   O7a O    26.4372  -15.8253
            10  O7a O    23.9880  -20.0595
            11  O7a O    26.4372  -18.6416
            12  C7a C    25.1959  -20.7644
            13  C8y C    25.1894  -22.1630
            14  C7a C    27.6459  -17.9403
            15  C8y C    28.8576  -18.6363
            16  O7a O    27.6513  -16.5234
            17  C7a C    26.4348  -14.4247
            18  C8y C    27.6464  -13.7223
            19  O7a O    25.1959  -13.7218
            20  C7a C    22.7736  -13.7330
            21  C8y C    22.7671  -12.3344
            22  O7a O    26.4105  -20.0709
            23  O7a O    21.5694  -15.8284
            24  O7a O    21.5683  -14.4279
            25  C7a C    20.3571  -16.5298
            26  C8y C    19.2136  -15.8307
            27  O7a O    20.3530  -17.9347
            28  C7a C    21.5588  -20.0446
            29  C8y C    20.3407  -20.7406
            30  O7a O    22.7704  -20.7514
            31  C8x C    23.9286  -11.6354
            32  C8x C    23.9688  -10.2369
            33  C8x C    22.7543   -9.5433
            34  N5x N    21.5464  -10.2483
            35  C8x C    21.5530  -11.6468
            36  C8x C    28.8559  -14.4200
            37  C8x C    30.0677  -13.7177
            38  C8x C    30.0652  -12.3170
            39  N5x N    28.8511  -11.6190
            40  C8x C    27.6393  -12.3213
            41  C8x C    28.8546  -20.0293
            42  C8x C    30.0664  -20.7254
            43  C8x C    31.2749  -20.0239
            44  N5x N    31.2719  -18.6266
            45  C8x C    30.0604  -17.9306
            46  C8x C    23.9750  -22.8500
            47  C8x C    24.0152  -24.2486
            48  C8x C    25.1764  -24.9535
            49  N5x N    26.3909  -24.2598
            50  C8x C    26.3974  -22.8612
            51  C8x C    19.1345  -20.0360
            52  C8x C    17.9164  -20.7322
            53  C8x C    17.9100  -22.1350
            54  N5x N    19.1219  -22.8418
            55  C8x C    20.3399  -22.1458
            56  C8x C    19.1455  -14.4320
            57  C8x C    17.9320  -13.7328
            58  C8x C    16.7197  -14.4342
            59  N5x N    16.7210  -15.8348
            60  C8x C    17.9344  -16.5339
BOND        66
            1    28  30 2
            2     2   4 1
            3    14  15 1
            4     2   5 1 #Down
            5     3   6 1
            6     9  17 1
            7    21  31 2
            8    31  32 1
            9    32  33 2
            10   33  34 1
            11   34  35 2
            12   35  21 1
            13    3   7 1 #Up
            14   17  18 1
            15   17  19 2
            16    4   8 1
            17    4   9 1 #Up
            18   18  36 2
            19   36  37 1
            20   37  38 2
            21   38  39 1
            22   39  40 2
            23   40  18 1
            24    5  20 1
            25    6  10 1 #Up
            26   20  21 1
            27   20  24 2
            28    8  11 1 #Down
            29   15  41 2
            30   41  42 1
            31   42  43 2
            32   43  44 1
            33   44  45 2
            34   45  15 1
            35   12  22 2
            36    6   8 1
            37    1  23 1 #Up
            38   10  12 1
            39   13  46 2
            40   46  47 1
            41   47  48 2
            42   48  49 1
            43   49  50 2
            44   50  13 1
            45   23  25 1
            46    1   2 1
            47   25  26 1
            48   25  27 2
            49   12  13 1
            50   29  51 2
            51   51  52 1
            52   52  53 2
            53   53  54 1
            54   54  55 2
            55   55  29 1
            56    1   3 1
            57    7  28 1
            58   11  14 1
            59   28  29 1
            60   14  16 2
            61   26  56 2
            62   56  57 1
            63   57  58 2
            64   58  59 1
            65   59  60 2
            66   60  26 1


entry: D01814
name: --- - S-Hydroprene (JAN)
formula: C17H30O2
kcf:
ATOM        19
            1   C1a C    13.9913  -13.2573
            2   C1c C    15.2023  -12.5561
            3   C1b C    16.4133  -13.2573
            4   C1b C    17.6244  -12.5561
            5   C1b C    18.8354  -13.2573
            6   C1c C    20.0465  -12.5561
            7   C1b C    21.2575  -13.2573
            8   C2b C    22.4685  -12.5561
            9   C2b C    23.6796  -13.2573
            10  C2c C    24.8906  -12.5561
            11  C2b C    26.1016  -13.2573
            12  C7a C    27.3127  -12.5561
            13  O7a O    28.5237  -13.2573
            14  C1b C    29.7348  -12.5561
            15  C1a C    30.9458  -13.2573
            16  C1a C    15.2023  -11.1539
            17  C1a C    20.0465  -11.1539
            18  C1a C    24.8906  -11.1539
            19  O7a O    27.3127  -11.1539
BOND        18
            1     9  10 1
            2     2   3 1
            3    10  11 2
            4     5   6 1
            5    11  12 1
            6     1   2 1
            7    12  13 1
            8     6   7 1
            9    13  14 1
            10    3   4 1
            11   14  15 1
            12    7   8 1
            13    2  16 1
            14    6  17 1 #Down
            15    8   9 2
            16   10  18 1
            17    4   5 1
            18   12  19 2


entry: D01815
name: --- - Oxapium iodide (JP15) - Espalexan (TN)
formula: C22H34NO2. I
remark: Therapeutic category: 1231
kcf:
ATOM        26
            1   C8x C    19.7219  -14.6713
            2   C8x C    19.7219  -16.0724
            3   C8x C    20.9383  -16.7729
            4   C8y C    22.1475  -16.0724
            5   C8x C    22.1475  -14.6713
            6   C8x C    20.9383  -13.9707
            7   C1x C    25.0716  -18.2732
            8   C1y C    25.5077  -16.9416
            9   O2x O    24.3711  -16.1148
            10  C1z C    23.2346  -16.9416
            11  O2x O    23.6705  -18.2732
            12  C1x C    19.8989  -17.9972
            13  C1x C    19.8989  -19.3983
            14  C1x C    21.1152  -20.0989
            15  C1x C    22.3244  -19.3983
            16  C1y C    22.3244  -17.9972
            17  C1x C    21.1152  -17.2967
            18  C1b C    26.7134  -16.2352
            19  N2y N    27.9234  -16.9358 #+
            20  C1x C    27.9217  -18.3340
            21  C1x C    29.1318  -19.0346
            22  C1x C    30.4135  -18.3369
            23  C1x C    30.3452  -16.9387
            24  C1x C    29.1352  -16.2381
            25  C1a C    26.9257  -17.9264
            26  X   I    27.7747  -14.7659 #-
BOND        28
            1     5   6 2
            2     6   1 1
            3     1   2 2
            4    12  13 1
            5    13  14 1
            6    14  15 1
            7    15  16 1
            8    16  17 1
            9    17  12 1
            10   10  16 1
            11    2   3 1
            12    8  18 1
            13    3   4 2
            14   18  19 1
            15    7   8 1
            16    8   9 1
            17    9  10 1
            18   10  11 1
            19   11   7 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  19 1
            26    4  10 1
            27   19  25 1
            28    4   5 1


entry: D01816
name: --- - Diisopropylamine dichloroacetate (JAN) - Liverall (TN)
formula: C6H15N. C2H2Cl2O2
remark: Therapeutic category: 3919
kcf:
ATOM        13
            1   C1a C    16.3839  -16.5911
            2   C1c C    17.5946  -17.2920
            3   N1b N    18.8054  -16.5911
            4   C1c C    20.0162  -17.2920
            5   C1a C    21.2270  -16.5911
            6   C1a C    20.0162  -18.6941
            7   C1a C    17.5946  -18.6941
            8   O6a O    24.4479  -17.3675
            9   C6a C    25.6591  -16.6663
            10  C1c C    26.8703  -17.3604
            11  X   Cl   28.0815  -16.6592
            12  O6a O    25.6560  -15.2639
            13  X   Cl   26.8734  -18.7629
BOND        11
            1     2   3 1
            2     2   7 1
            3     3   4 1
            4     1   2 1
            5     4   5 1
            6     4   6 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10    9  12 2
            11   10  13 1


entry: D01817
name: --- - Iohexol (JAN/USP) - Omnipaque (TN)
formula: C19H26I3N3O9
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7219
kcf:
ATOM        34
            1   C5a C    18.4111  -10.4069
            2   N1b N    19.6251   -9.7080
            3   O5a O    17.1989   -9.7049
            4   C8y C    18.4100  -11.8006
            5   C8y C    19.6270  -12.5010
            6   C8y C    19.6270  -13.9019
            7   C8y C    18.4109  -14.6023
            8   C8y C    17.2019  -13.9019
            9   C8y C    17.2019  -12.5010
            10  X   I    18.4092  -16.0032
            11  X   I    15.9882  -11.8016
            12  X   I    20.8399  -11.8001
            13  C5a C    15.9882  -14.6015
            14  N1b N    14.7805  -13.8949
            15  C1b C    13.5707  -14.5954
            16  C1c C    12.3609  -13.8949
            17  O5a O    15.9836  -16.0023
            18  O1a O    12.3609  -12.4941
            19  N1c N    20.8368  -14.6023
            20  C5a C    22.0467  -13.9090
            21  C1a C    23.2565  -14.6095
            22  C1b C    11.1473  -14.5947
            23  O1a O     9.9346  -13.8936
            24  O5a O    22.0499  -12.5082
            25  C1b C    20.8338  -16.0032
            26  C1c C    22.0453  -16.7062
            27  O1a O    22.0423  -18.1070
            28  C1b C    23.2601  -16.0085
            29  O1a O    24.4718  -16.7116
            30  C1b C    20.8373  -10.4100
            31  C1c C    22.0514   -9.7110
            32  C1b C    23.2638  -10.4130
            33  O1a O    22.0533   -8.3102
            34  O1a O    24.4779   -9.7141
BOND        34
            1    14  15 1
            2     4   5 1
            3    15  16 1
            4     7  10 1
            5     5   6 2
            6    13  17 2
            7     9  11 1
            8    16  22 1
            9    22  23 1
            10   20  24 2
            11    4   1 1
            12    1   2 1
            13    1   3 2
            14    6   7 1
            15   16  18 1
            16   19  25 1
            17    5  12 1
            18   25  26 1
            19    6  19 1
            20   26  27 1
            21    7   8 2
            22   26  28 1
            23   19  20 1
            24   28  29 1
            25    8  13 1
            26    2  30 1
            27   20  21 1
            28   30  31 1
            29    8   9 1
            30   31  32 1
            31   13  14 1
            32   31  33 1
            33    9   4 2
            34   32  34 1


entry: D01818
name: --- - Proglumide (JP15/USAN) - Nulsa (TN)
formula: C18H26N2O4
activity: Anticholinergic
remark: Therapeutic category: 2329
kcf:
ATOM        24
            1   C1a C    19.9298  -15.6483
            2   C1b C    21.1407  -16.3424
            3   C1b C    22.3516  -15.6414
            4   N1c N    23.5625  -16.3353
            5   C5a C    24.7733  -15.6342
            6   C1c C    25.9842  -16.3281
            7   C1b C    27.1951  -15.6271
            8   C1b C    28.4060  -16.3212
            9   C6a C    29.6169  -15.6201
            10  O6a O    30.8277  -16.3140
            11  C1b C    23.5655  -17.7373
            12  C1b C    22.3528  -18.4411
            13  C1a C    22.3560  -19.8432
            14  O5a O    24.7703  -14.2322
            15  N1b N    25.9873  -17.7302
            16  C5a C    27.2031  -18.4287
            17  C8y C    27.2061  -19.8308
            18  O5a O    28.4157  -17.7249
            19  O6a O    29.6138  -14.2181
            20  C8x C    25.9954  -20.5282
            21  C8x C    25.9985  -21.9303
            22  C8x C    27.2143  -22.6286
            23  C8x C    28.4271  -21.9249
            24  C8x C    28.4240  -20.5228
BOND        24
            1     1   2 1
            2    12  13 1
            3     6   7 1
            4     5  14 2
            5     3   4 1
            6     6  15 1
            7     7   8 1
            8    15  16 1
            9    16  17 1
            10    8   9 1
            11   16  18 2
            12    4   5 1
            13    9  19 2
            14    9  10 1
            15    2   3 1
            16    4  11 1
            17    5   6 1
            18   11  12 1
            19   17  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   24  17 1


entry: D01819
name: --- - Cefotiam hydrochloride (JP15/USP) - Pansporin (TN) - Ceradon (TN) - CTM
formula: C18H23N9O4S3. 2HCl
activity: Antibacterial
remark: Same as: C13289 Therapeutic category: 6132 7290
comment: semisynthetic cephalosporin: intermediate spectrum cephalosporin
kcf:
ATOM        36
            1   C1y C    11.2206  -16.3740
            2   N1y N    11.2206  -17.7676
            3   C2y C    12.4277  -18.4643
            4   C2y C    13.6347  -17.7676
            5   C1x C    13.6347  -16.3740
            6   S2x S    12.4277  -15.6771
            7   C1y C     9.8268  -16.3740
            8   C5x C     9.8268  -17.7676
            9   N1b N     8.6200  -15.6771
            10  C5a C     7.4128  -16.3740
            11  O5a O     7.4128  -17.7676
            12  O5x O     8.6200  -18.4643
            13  C1b C     6.2058  -15.6771
            14  C1b C    14.8602  -18.4755
            15  C6a C    12.4277  -19.8579
            16  O6a O    11.2038  -20.5647
            17  O6a O    13.6177  -20.5452
            18  C8y C     4.9794  -16.3856
            19  S2a S    16.0721  -17.7760
            20  C8y C    17.2788  -18.4730
            21  N5x N    17.6839  -19.8742
            22  N5x N    19.0782  -19.9044
            23  N5x N    19.5378  -18.5177
            24  N4y N    18.4274  -17.6737
            25  C8x C     3.8295  -15.5758
            26  S2x S     2.6994  -16.4195
            27  C8y C     3.1525  -17.7550
            28  N5x N     4.5626  -17.8069
            29  C1b C    18.3879  -16.2408
            30  C1b C    19.5969  -15.4975
            31  N1c N    20.8190  -16.1586
            32  C1a C    21.9853  -15.4412
            33  C1a C    20.7884  -17.5683
            34  N1a N     2.3031  -18.8948
            35  X   Cl   22.4700  -19.6700
            36  X   Cl   22.4700  -19.6700
BOND        37
            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   14  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   20  24 1
            27   18  25 2
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   18  28 1
            32   24  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   31  33 1
            37   27  34 1


entry: D01820
name: --- - Alclometasone dipropionate (JAN/USP) - Aclovate (TN)
formula: C28H37ClO7
activity: Anti-inflammatory [topical]
remark: Therapeutic category: 2646
kcf:
ATOM        36
            1   C2x C    19.1662  -17.6173
            2   C5x C    19.1662  -18.9788
            3   C2x C    20.3484  -19.6596
            4   C2x C    20.3484  -16.9363
            5   C1z C    21.5234  -17.6173
            6   C2y C    21.5174  -18.9788
            7   C1x C    22.6938  -19.6648
            8   C1y C    23.8760  -18.9889
            9   C1y C    22.7055  -16.9416
            10  C1y C    23.8760  -17.6302
            11  C1x C    23.8982  -14.9141
            12  C1y C    22.6466  -15.5835
            13  C1z C    25.0689  -15.6027
            14  C1y C    25.0525  -16.9568
            15  C1x C    27.4434  -16.9390
            16  C1y C    27.4139  -15.6313
            17  C1z C    26.2495  -14.9400
            18  O5x O    17.9874  -19.6603
            19  C1a C    21.5112  -16.2556
            20  X   Cl   25.0537  -19.6724
            21  C1a C    25.0598  -14.2869
            22  O1a O    21.5430  -14.8930
            23  C5a C    26.2425  -13.2278
            24  C1b C    25.0599  -12.5530
            25  O7a O    27.4252  -14.2477
            26  O5a O    27.4136  -12.5401
            27  C7a C    29.1328  -14.2477
            28  C1a C    28.7732  -15.6300
            29  O7a O    23.8841  -13.2399
            30  C7a C    22.7016  -12.5652
            31  C1b C    21.5257  -13.2520
            32  O7a O    22.6705  -11.1576
            33  C1a C    20.3430  -12.5773
            34  O7a O    29.8136  -15.4267
            35  C1b C    29.8136  -13.0685
            36  C1a C    31.1753  -13.0685
BOND        39
            1     2  18 2
            2     9   5 1
            3     5  19 1 #Up
            4     5   4 1
            5     4   1 2
            6     8  20 1 #Down
            7     1   2 1
            8     9  10 1
            9    13  21 1 #Up
            10   10  14 1
            11   12  22 1 #Up
            12   13  11 1
            13   17  23 1 #Up
            14   23  26 2
            15   11  12 1
            16   23  24 1
            17   12   9 1
            18   17  25 1 #Down
            19    2   3 1
            20    3   6 2
            21   25  27 1
            22    5   6 1
            23   16  28 1 #Down
            24    6   7 1
            25   24  29 1
            26    7   8 1
            27   29  30 1
            28   13  14 1
            29   30  31 1
            30   15  16 1
            31   30  32 2
            32   16  17 1
            33   31  33 1
            34   17  13 1
            35   27  34 2
            36   14  15 1
            37   27  35 1
            38    8  10 1
            39   35  36 1


entry: D01821
name: --- - Micronomicin sulfate (JP15) - Santemycin (TN) - Sagamicin (TN)
formula: C20H41N5O7. H2SO4
remark: Therapeutic category: 1317 6134
kcf:
ATOM        37
            1   C1y C    24.0381   -8.3669
            2   C1x C    24.0381   -6.9666
            3   C1x C    22.8225   -6.2665
            4   C1y C    21.6141   -6.9666
            5   C1y C    21.6141   -8.3669
            6   O2x O    22.8225   -9.0670
            7   O2a O    20.4009   -9.0660
            8   C1y C    20.3999  -10.4662
            9   C1y C    19.1859  -11.1619
            10  C1y C    19.1849  -12.5621
            11  C1y C    20.3968  -13.2631
            12  C1x C    21.6100  -12.5638
            13  C1y C    21.6111  -11.1636
            14  O2a O    17.9717  -13.2612
            15  C1b C    25.2504   -9.0675
            16  N1a N    20.4009   -6.2674
            17  N1a N    22.8236  -10.4633
            18  N1a N    20.3958  -14.6633
            19  O1a O    17.9745  -10.4592
            20  N1b N    25.2496  -10.4677
            21  C1a C    26.4619  -11.1685
            22  C1y C    16.7541  -13.9535
            23  O2x O    15.5459  -13.2452
            24  C1x C    14.3285  -13.9376
            25  C1z C    14.3191  -15.3381
            26  C1y C    15.5276  -16.0464
            27  C1y C    16.7449  -15.3541
            28  O1a O    17.9530  -16.0622
            29  C1a C    14.3074  -16.7327
            30  O1a O    13.0981  -16.0257
            31  N1b N    15.5182  -17.4466
            32  C1a C    14.3011  -18.1387
            33  S4a S    30.3637  -12.5231
            34  O1d O    31.7637  -12.5231
            35  O3c O    30.4033  -13.9231
            36  O3c O    30.4033  -11.1231
            37  O1d O    28.9637  -12.5231
BOND        38
            1     9  19 1 #Up
            2     2   3 1
            3    15  20 1
            4     3   4 1
            5    20  21 1
            6     4   5 1
            7    22  14 1 #Down
            8     5   6 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   22  23 1
            14   23  24 1
            15   24  25 1
            16   25  26 1
            17   26  27 1
            18   27  22 1
            19   12  13 1
            20   27  28 1 #Down
            21   13   8 1
            22   25  29 1 #Down
            23    6   1 1
            24   25  30 1 #Up
            25   10  14 1 #Down
            26   26  31 1 #Up
            27   31  32 1
            28    1  15 1 #Up
            29    5   7 1 #Down
            30    4  16 1 #Down
            31   13  17 1 #Up
            32    8   7 1 #Down
            33   11  18 1 #Up
            34    1   2 1
            35   33  34 1
            36   33  35 2
            37   33  36 2
            38   33  37 1


entry: D01822
name: --- - Clofenamide (JAN)
formula: C6H7ClN2O4S2
remark: Therapeutic category: 2135
kcf:
ATOM        15
            1   C8y C     8.4700  -16.6600
            2   C8x C     8.4700  -18.0600
            3   C8x C     9.6824  -18.7600
            4   C8y C    10.8949  -18.0600
            5   C8y C    10.8949  -16.6600
            6   C8x C     9.6824  -15.9600
            7   S4a S     7.2576  -15.9600
            8   S4a S    12.1260  -15.9490
            9   X   Cl   12.1260  -18.7710
            10  N1a N     6.0451  -15.2600
            11  O3c O     7.9730  -14.7435
            12  O3c O     6.5537  -17.1569
            13  N1a N    13.3384  -15.2490
            14  O3c O    11.4267  -14.7381
            15  O3c O    12.8268  -17.1626
BOND        15
            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     4   9 1
            10    7  10 1
            11    7  11 2
            12    7  12 2
            13    8  13 1
            14    8  14 2
            15    8  15 2


entry: D01823
name: --- - Ufenamate (JAN) - Combec (TN)
formula: C18H18F3NO2
remark: Therapeutic category: 2649
kcf:
ATOM        24
            1   C8x C     5.1800   -9.7300
            2   C8x C     5.1800  -11.1300
            3   C8x C     6.3924  -11.8300
            4   C8x C     7.6049  -11.1300
            5   C8y C     7.6049   -9.7300
            6   C8y C     6.3924   -9.0300
            7   C8x C    10.0297  -11.1300
            8   C8y C    10.0297   -9.7300
            9   N1b N     8.8173   -9.0300
            10  C8y C    11.2422  -11.8300
            11  C8x C    12.4546  -11.1300
            12  C8x C    12.4546   -9.7300
            13  C8x C    11.2422   -9.0300
            14  C1d C    11.2422  -13.2297
            15  X   F    11.2422  -14.6297
            16  X   F    12.6700  -13.2297
            17  X   F     9.8700  -13.2297
            18  C7a C     6.3924   -7.6302
            19  O7a O     5.1632   -6.9203
            20  O7a O     7.5880   -6.9398
            21  C1b C     8.7752   -7.6252
            22  C1b C     9.9666   -6.9372
            23  C1b C    11.1559   -7.6239
            24  C1a C    12.3462   -6.9366
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     7   8 2
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   10  14 1
            16   14  15 1
            17   14  16 1
            18   14  17 1
            19    6  18 1
            20   18  19 2
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1


entry: D01824
name: --- - Phenprobamate (JAN) - Spantol (TN)
formula: C10H13NO2
remark: Therapeutic category: 1225
kcf:
ATOM        13
            1   N1a N    29.4703  -19.1889
            2   C7a C    28.2568  -19.8915
            3   O7a O    27.0432  -19.1959
            4   C1b C    25.8297  -19.8984
            5   C1b C    24.6162  -19.2030
            6   C1b C    23.4026  -19.9056
            7   C8y C    22.1891  -19.2102
            8   O7a O    28.2598  -21.2966
            9   C8x C    22.1845  -17.8115
            10  C8x C    20.9709  -17.1159
            11  C8x C    19.7619  -17.8192
            12  C8x C    19.7664  -19.2178
            13  C8x C    20.9799  -19.9133
BOND        13
            1     6   7 1
            2     3   4 1
            3     2   8 2
            4     4   5 1
            5     2   3 1
            6     5   6 1
            7     1   2 1
            8     7   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13   7 1


entry: D01825
name: --- - Fluocinolone acetonide (JP15/USP) - Fluocet (TN)
formula: C24H30F2O6
activity: Glucocorticoid
remark: Therapeutic category: 2646
comment: Component of Flucort F (TN)
kcf:
ATOM        32
            1   C2x C    19.7419  -16.5498
            2   C5x C    19.7419  -17.9325
            3   C2x C    20.9393  -18.6239
            4   C2y C    22.1369  -17.9325
            5   C1z C    22.1369  -16.5498
            6   C2x C    20.9393  -15.8584
            7   C1y C    23.3344  -18.6239
            8   C1x C    24.5318  -17.9325
            9   C1y C    24.5318  -16.5498
            10  C1z C    23.3344  -15.8584
            11  C1y C    25.7294  -15.8584
            12  C1z C    25.7294  -14.4757
            13  C1x C    24.5318  -13.7843
            14  C1y C    23.3344  -14.4757
            15  C1x C    27.0445  -16.2857
            16  C1y C    27.8573  -15.1670
            17  C1z C    27.0445  -14.0484
            18  O2x O    29.1724  -14.7398
            19  C1z C    29.1724  -13.3570
            20  O2x O    27.8573  -12.9296
            21  O5x O    18.5444  -18.6239
            22  C1a C    22.1369  -15.1670
            23  O1a O    22.1389  -13.7855
            24  C1a C    25.7294  -13.0929
            25  C5a C    27.0445  -11.9743
            26  X   F    23.3344  -17.2412
            27  X   F    23.3344  -20.0067
            28  O5a O    28.2558  -11.2746
            29  C1b C    25.8718  -11.2973
            30  O1a O    24.6928  -11.9783
            31  C1a C    30.5551  -13.3570
            32  C1a C    29.1724  -11.9743
BOND        36
            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   16  18 1 #Down
            22   18  19 1
            23   19  20 1
            24   17  20 1 #Down
            25    2  21 2
            26    5  22 1 #Up
            27   14  23 1 #Up
            28   12  24 1 #Up
            29   17  25 1 #Up
            30   10  26 1 #Down
            31    7  27 1 #Down
            32   25  28 2
            33   25  29 1
            34   29  30 1
            35   19  31 1
            36   19  32 1


entry: D01826
name: --- - Isepamicin sulfate (JP15) - Isepacin (TN)
formula: C22H43N5O12. xH2SO4
remark: Therapeutic category: 6123
kcf:
ATOM        44
            1   S4a S    29.4455  -16.0192
            2   O1d O    30.8410  -16.0192
            3   O1d O    28.0500  -16.0123
            4   O3c O    29.4384  -17.4146
            5   O3c O    29.4384  -14.6237
            6   C1y C    22.7500  -13.0900
            7   C1y C    22.7500  -11.6900
            8   C1y C    21.5600  -10.9900
            9   C1y C    20.3000  -11.6900
            10  C1y C    20.3000  -13.0900
            11  O2x O    21.5600  -13.7900
            12  O2a O    19.1100  -13.7900
            13  C1y C    19.1100  -15.1900
            14  C1y C    17.8500  -15.8900
            15  C1y C    17.8500  -17.2900
            16  C1y C    19.1100  -17.9900
            17  C1x C    20.3000  -17.2900
            18  C1y C    20.3000  -15.8900
            19  O2a O    16.5900  -17.9900
            20  C1b C    23.9400  -13.7900
            21  O1a O    19.1100  -10.9900
            22  N1a N    21.5600  -15.1900
            23  N1b N    19.1100  -19.3900
            24  O1a O    16.5900  -15.1900
            25  N1a N    23.9400  -15.1900
            26  C1y C    15.4000  -18.6900
            27  O2x O    14.2100  -17.9900
            28  C1x C    12.9500  -18.6900
            29  C1z C    12.9500  -20.0900
            30  C1y C    14.1400  -20.7900
            31  C1y C    15.4000  -20.0900
            32  O1a O    16.5900  -20.7900
            33  C1a C    12.9500  -21.4900
            34  O1a O    11.7600  -20.6500
            35  N1b N    14.1400  -22.1900
            36  C1a C    12.9500  -22.8900
            37  O1a O    23.9400  -10.9900
            38  O1a O    21.5600   -9.5900
            39  C5a C    20.3000  -20.0900
            40  C1c C    21.4900  -19.3900
            41  C1b C    22.7500  -20.0900
            42  N1a N    23.9400  -19.3900
            43  O5a O    20.3000  -21.4900
            44  O1a O    21.4900  -17.9900
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5    13  14 1
            6    14  15 1
            7    15  16 1
            8    26  27 1
            9    27  28 1
            10   28  29 1
            11   29  30 1
            12   30  31 1
            13   31  26 1
            14   16  17 1
            15   31  32 1 #Down
            16   17  18 1
            17   29  33 1 #Down
            18   18  13 1
            19   29  34 1 #Up
            20   11   6 1
            21   30  35 1 #Up
            22   15  19 1 #Down
            23   35  36 1
            24    6  20 1 #Up
            25   10  12 1 #Down
            26    9  21 1 #Down
            27   18  22 1 #Up
            28   13  12 1 #Down
            29    7  37 1 #Down
            30   16  23 1 #Up
            31    8  38 1 #Up
            32    6   7 1
            33   14  24 1 #Up
            34    7   8 1
            35   20  25 1
            36    8   9 1
            37   26  19 1 #Down
            38    9  10 1
            39   10  11 1
            40   23  39 1
            41   39  40 1
            42   40  41 1
            43   41  42 1
            44   39  43 2
            45   40  44 1 #Up


entry: D01827
name: --- - Teprenone (JAN) - Selbex (TN)
formula: C23H38O
remark: Same as: C13297 Therapeutic category: 2329
kcf:
ATOM        24
            1   C1a C    13.3608  -19.0202
            2   C2c C    15.2031  -18.3183
            3   C2b C    16.4153  -19.0130
            4   C1b C    17.6276  -18.3112
            5   C1b C    18.8399  -19.0060
            6   C5a C    20.5422  -18.3042
            7   C1a C    21.7544  -18.9989
            8   C1a C    15.2000  -16.9147
            9   O5a O    20.5391  -16.9006
            10  C2c C    15.2031  -18.3183
            11  C2b C    16.4153  -19.0130
            12  C1b C    17.6276  -18.3112
            13  C1b C    18.8399  -19.0060
            14  C1a C    15.2000  -16.9147
            15  C2c C    15.2031  -18.3183
            16  C2b C    16.4153  -19.0130
            17  C1b C    17.6276  -18.3112
            18  C1b C    18.8399  -19.0060
            19  C1a C    15.2000  -16.9147
            20  C2c C    15.2031  -18.3183
            21  C2b C    16.4153  -19.0130
            22  C1b C    17.6276  -18.3112
            23  C1b C    18.8399  -19.0060
            24  C1a C    15.2000  -16.9147
BOND        23
            1     6   7 1
            2     6   9 2
            3     1   2 1
            4     3   4 1
            5     4   5 1
            6     2   8 1
            7     2   3 2
            8     5  10 1
            9    11  12 1
            10   12  13 1
            11   10  14 1
            12   10  11 2
            13   13  15 1
            14   16  17 1
            15   17  18 1
            16   15  19 1
            17   15  16 2
            18   18  20 1
            19   21  22 1
            20   22  23 1
            21   20  24 1
            22   20  21 2
            23   23   6 1


entry: D01828
name: --- - Amlexanox (JAN/USAN) - Solfa (TN) - Aphthasol (TN)
formula: C16H14N2O4
activity: Anti-allergic
remark: Therapeutic category: 1319 1329 4490
comment: mediator release inhibitor
kcf:
ATOM        22
            1   C8y C     5.1800   -7.4900
            2   C8y C     5.1800   -8.8900
            3   C8x C     6.3924   -9.5900
            4   C8y C     7.6049   -8.8900
            5   C8y C     7.6049   -7.4900
            6   N5x N     6.3924   -6.7900
            7   C8y C     8.8173   -9.5900
            8   C8y C    10.0297   -8.8900
            9   C8y C    10.0297   -7.4900
            10  O2x O     8.8173   -6.7900
            11  C8x C    11.2422   -9.5900
            12  C8y C    12.4546   -8.8900
            13  C8x C    12.4546   -7.4900
            14  C8x C    11.2422   -6.7900
            15  N1a N     3.9676   -6.7900
            16  C6a C     3.9676   -9.5900
            17  O6a O     2.7721   -8.8996
            18  O6a O     3.9675  -10.9898
            19  O5x O     8.8173  -10.9900
            20  C1c C    13.6711   -9.5923
            21  C1a C    14.8686   -8.9008
            22  C1a C    13.6711  -10.9898
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    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    1  15 1
            18    2  16 1
            19   16  17 1
            20   16  18 2
            21    7  19 2
            22   12  20 1
            23   20  21 1
            24   20  22 1


entry: D01830
name: --- - Arotinolol hydrochloride (JP15) - Almarl (TN)
formula: C15H21N3O2S3. HCl
remark: Therapeutic category: 2123
kcf:
ATOM        24
            1   C8x C    16.4881  -17.5839
            2   C8y C    16.9242  -16.2521
            3   S2x S    15.7875  -15.4255
            4   C8y C    14.6509  -16.2521
            5   C8x C    15.0869  -17.5839
            6   C8y C    18.2573  -15.8211
            7   N5x N    19.3941  -16.6555
            8   C8y C    20.5288  -15.8335
            9   S2x S    20.0976  -14.5004
            10  C8x C    18.6964  -14.4983
            11  S2a S    21.7320  -16.5224
            12  C1b C    22.9421  -15.8218
            13  C1c C    24.1522  -16.5152
            14  C1b C    25.3623  -15.8146
            15  N1b N    26.5725  -16.5083
            16  C1d C    27.7826  -15.8077
            17  C1a C    28.9927  -16.5011
            18  O1a O    24.1553  -17.9164
            19  C1a C    28.9927  -15.0999
            20  C5a C    13.3176  -15.8209
            21  O5a O    13.0245  -14.4508
            22  N1a N    12.2777  -16.7600
            23  C1a C    27.7826  -14.4077
            24  X   Cl   32.0640  -16.1755
BOND        24
            1     8  11 1
            2     5   1 1
            3    11  12 1
            4    12  13 1
            5     2   6 1
            6    13  14 1
            7    14  15 1
            8     1   2 2
            9    15  16 1
            10    2   3 1
            11   16  17 1
            12    3   4 1
            13   13  18 1
            14    6   7 1
            15   16  19 1
            16    7   8 2
            17    8   9 1
            18    4  20 1
            19    9  10 1
            20   20  21 2
            21   10   6 2
            22   20  22 1
            23    4   5 2
            24   16  23 1


entry: D01831
name: --- - Buserelin acetate (JAN/USAN) - Suprecur (TN)
formula: C60H86N16O13. C2H4O2
activity: Gonad-stimulating principle
remark: Therapeutic category: 2499
kcf:
ATOM        93
            1   O6a O    40.8977  -18.5512
            2   C6a C    40.8907  -19.9323
            3   C1a C    39.6912  -20.6169
            4   O6a O    42.0834  -20.6289
            5   C1y C    37.7872  -16.1315
            6   N1y N    36.4051  -16.1347
            7   C1x C    35.9810  -17.4502
            8   C1x C    37.1011  -18.2597
            9   C1x C    38.2173  -17.4449
            10  C5a C    38.5966  -15.0118
            11  N1b N    39.9710  -15.0149
            12  O5a O    38.0319  -13.7509
            13  C8x C    19.8049  -10.4200
            14  C8x C    19.1071   -9.2198
            15  C8x C    17.7188   -9.2242
            16  C8x C    17.0283  -10.4284
            17  C8y C    19.1143  -11.6246
            18  C8y C    17.7317  -11.6306
            19  C8y C    17.3101  -12.9477
            20  C8x C    18.4325  -13.7552
            21  N4x N    19.5475  -12.9376
            22  C1b C    34.0150  -18.0105
            23  C5a C    17.3068  -16.1944
            24  N1b N    18.5000  -15.5035
            25  C1c C    19.6932  -16.1873
            26  C5a C    20.8864  -15.4965
            27  N1b N    22.0796  -16.1803
            28  C1c C    23.2729  -15.4895
            29  C5a C    24.4661  -16.1735
            30  N1b N    25.6594  -15.4826
            31  C1c C    26.8526  -16.1664
            32  C5a C    28.0459  -15.4756
            33  N1b N    29.2390  -16.1593
            34  C1c C    30.4322  -15.4685
            35  C5a C    31.6255  -16.1524
            36  N1b N    32.8187  -15.4617
            37  C1c C    34.0121  -16.1454
            38  C5a C    35.2053  -15.4546
            39  O5a O    20.8833  -14.1149
            40  C1b C    23.2699  -13.7625
            41  C8y C    24.4649  -13.0692
            42  C8x C    25.6557  -13.7603
            43  C8x C    26.8508  -13.0671
            44  C8y C    26.8478  -11.6854
            45  C8x C    25.6497  -10.9971
            46  C8x C    24.4305  -11.6907
            47  O1a O    28.0427  -10.9919
            48  O5a O    24.4692  -17.5551
            49  C1b C    26.8557  -17.5480
            50  O5a O    28.0429  -14.0939
            51  C1b C    30.4293  -13.5344
            52  C1c C    31.6244  -12.8412
            53  C1a C    31.6213  -11.4595
            54  C1a C    32.8225  -13.5292
            55  O5a O    35.2023  -14.0729
            56  O5a O    31.6220  -17.5323
            57  C1c C    16.1136  -15.5035
            58  N1b N    14.9204  -16.1944
            59  C5a C    13.7271  -15.5035
            60  C1c C    12.5339  -16.1944
            61  N1b N    11.3407  -15.5035
            62  C5a C    10.1474  -16.1944
            63  O5a O    17.3068  -17.5760
            64  C1b C    16.1136  -13.7075
            65  O5a O    13.7271  -14.1219
            66  C1b C    12.5339  -17.5760
            67  C8y C    13.7304  -18.2668
            68  N4x N    13.6934  -19.6585
            69  C8x C    14.9974  -20.1151
            70  N5x N    15.8346  -19.0160
            71  C8x C    15.0481  -17.8800
            72  O5a O    10.1474  -17.5760
            73  C1b C    19.6962  -17.5690
            74  O1a O    20.8943  -18.2570
            75  O2a O    25.6146  -18.2414
            76  C1d C    25.6535  -19.6204
            77  C1a C    25.6465  -21.0021
            78  C1b C    40.7805  -13.8954
            79  C1a C    42.1549  -13.8984
            80  C1y C     8.9505  -15.5042
            81  N1x N     8.9437  -14.1208
            82  C5x C     7.6273  -13.7008
            83  C1x C     6.8214  -14.8231
            84  C1x C     7.6396  -15.9364
            85  O5x O     7.1932  -12.3892
            86  C1a C    24.2796  -19.6013
            87  C1a C    27.0416  -19.5696
            88  C1b C    35.2212  -18.7033
            89  C1b C    35.2256  -20.1007
            90  N1b N    34.0253  -20.7210
            91  C2c C    32.8573  -19.9720
            92  N1a N    31.6224  -20.6102
            93  N2a N    32.8530  -18.5842
BOND        97
            1     2   4 1
            2     1   2 2
            3     2   3 1
            4    41  42 2
            5    42  43 1
            6    43  44 2
            7    44  45 1
            8    45  46 2
            9    46  41 1
            10   10  12 2
            11   44  47 1
            12   29  48 2
            13   31  49 1 #Up
            14   23  24 1
            15   32  50 2
            16   34  51 1 #Up
            17   24  25 1
            18   51  52 1
            19   52  53 1
            20   25  26 1
            21   52  54 1
            22   35  56 2
            23   37  22 1 #Down
            24    5   6 1
            25   38  55 2
            26   26  27 1
            27    6   7 1
            28   23  57 1
            29   27  28 1
            30   57  58 1
            31    7   8 1
            32   58  59 1
            33   28  29 1
            34   59  60 1
            35    8   9 1
            36   60  61 1
            37   29  30 1
            38   61  62 1
            39    9   5 1
            40   23  63 2
            41   30  31 1
            42   57  64 1 #Up
            43   13  14 2
            44   59  65 2
            45   31  32 1
            46   60  66 1 #Down
            47   14  15 1
            48   66  67 1
            49   32  33 1
            50   15  16 2
            51   33  34 1
            52   16  18 1
            53   67  68 1
            54   68  69 1
            55   69  70 2
            56   70  71 1
            57   71  67 2
            58   34  35 1
            59   62  72 2
            60   17  13 1
            61   25  73 1 #Down
            62   35  36 1
            63   73  74 1
            64   64  19 1
            65   49  75 1
            66   36  37 1
            67   75  76 1
            68    5  10 1 #Down
            69   37  38 1
            70   38   6 1
            71   76  77 1
            72   26  39 2
            73   10  11 1
            74   28  40 1 #Up
            75   11  78 1
            76   78  79 1
            77   40  41 1
            78   80  62 1
            79   17  18 2
            80   18  19 1
            81   19  20 2
            82   20  21 1
            83   80  81 1
            84   81  82 1
            85   82  83 1
            86   83  84 1
            87   80  84 1 #Down
            88   21  17 1
            89   82  85 2
            90   76  86 1
            91   76  87 1
            92   22  88 1
            93   88  89 1
            94   89  90 1
            95   90  91 1
            96   91  92 1
            97   91  93 2


entry: D01832
name: --- - Modafinil (JAN/USAN) - Provigil (TN)
formula: C15H15NO2S
activity: Analeptic [treatment of narcolepsy and hypersomnia]
remark: Therapeutic category: 1179
kcf:
ATOM        19
            1   C8x C    21.4292  -18.4524
            2   C8x C    21.4292  -19.8539
            3   C8x C    22.6459  -20.5546
            4   C8x C    23.8554  -19.8539
            5   C8y C    23.8554  -18.4524
            6   C8x C    22.6459  -17.7516
            7   C1c C    25.0604  -17.7516
            8   C8y C    26.2708  -18.4524
            9   C8x C    26.2691  -19.8510
            10  C8x C    27.4794  -20.5517
            11  C8x C    28.6914  -19.8539
            12  C8x C    28.6931  -18.4552
            13  C8x C    27.4828  -17.7545
            14  S4a S    25.0590  -16.3501
            15  C1b C    26.2721  -15.6482
            16  O3c O    23.8447  -15.6505
            17  C5a C    26.2708  -14.2467
            18  N1a N    27.4839  -13.5447
            19  O5a O    25.0563  -13.5471
BOND        20
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     8   9 2
            5     9  10 1
            6    10  11 2
            7    11  12 1
            8    12  13 2
            9    13   8 1
            10    7  14 1
            11    5   7 1
            12   14  15 1
            13    1   2 2
            14   14  16 2
            15    7   8 1
            16   15  17 1
            17    2   3 1
            18   17  18 1
            19    3   4 2
            20   17  19 2


entry: D01833
name: --- - Benziodarone (JAN) - Amplivix (TN)
formula: C17H12I2O3
remark: Therapeutic category: 3949
kcf:
ATOM        22
            1   C8x C    22.0752  -17.5717
            2   C8x C    22.0752  -18.9289
            3   C8x C    23.2506  -19.6075
            4   C8y C    24.4260  -18.9289
            5   C8y C    24.4260  -17.5717
            6   C8x C    23.2506  -16.8931
            7   O2x O    25.6013  -19.6075
            8   C8y C    26.7766  -18.9289
            9   C8y C    26.7766  -17.5717
            10  C8x C    29.1274  -18.9289
            11  C8y C    29.1274  -17.5717
            12  C5a C    27.9520  -16.8931
            13  C8y C    30.3027  -19.6075
            14  C8y C    31.4781  -18.9289
            15  C8y C    31.4781  -17.5717
            16  C8x C    30.3027  -16.8931
            17  O5a O    27.9520  -15.5362
            18  X   I    32.6754  -16.8801
            19  O1a O    32.6754  -19.6205
            20  X   I    30.3027  -20.9646
            21  C1b C    27.9376  -19.5992
            22  C1a C    27.9376  -20.9564
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 2
            10    5   9 1
            11   10  11 1
            12   11  12 1
            13    9  12 1
            14   10  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   11  16 2
            19   12  17 2
            20   15  18 1
            21   14  19 1
            22   13  20 1
            23    8  21 1
            24   21  22 1


entry: D01834
name: --- - Doranidazole (JAN) - RP 343
formula: C8H13N3O6
activity: Radiation-sensitizing agents
kcf:
ATOM        17
            1   C8x C    27.0502  -17.4310
            2   C8x C    25.6659  -17.4186
            3   N4y N    27.4263  -16.1228
            4   N5x N    25.3133  -16.1038
            5   C8y C    26.4134  -15.3121
            6   N2b N    26.3551  -14.0006 #+
            7   O0  O    28.0868  -13.3552 #-
            8   O3a O    25.1952  -13.3344
            9   C1b C    28.6720  -15.4018
            10  O2a O    29.9342  -16.1305
            11  C1c C    31.1962  -15.4018
            12  C1c C    32.4582  -16.1305
            13  C1b C    31.1962  -13.9445
            14  O1a O    32.4604  -13.2146
            15  C1b C    33.7049  -15.4106
            16  O1a O    34.9418  -16.1247
            17  O1a O    32.4583  -17.5877
BOND        17
            1     1   3 1
            2     6   8 2
            3     2   4 1
            4     3   5 1
            5     4   5 2
            6     5   6 1
            7     1   2 2
            8     6   7 1
            9     3   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 1 #Down
            14   13  14 1
            15   12  15 1
            16   15  16 1
            17   12  17 1 #Down


entry: D01835
name: --- - Clorprenaline hydrochloride (JAN/USAN)
formula: C11H16ClNO. HCl. H2O
activity: Bronchodilator
remark: Therapeutic category: 2253
kcf:
ATOM        16
            1   C8x C    13.2371  -12.8230
            2   C8x C    13.2371  -14.2176
            3   C8x C    14.4922  -14.9149
            4   C8y C    15.6777  -14.2176
            5   C8y C    15.6777  -12.8230
            6   C8x C    14.4922  -12.1257
            7   C1c C    16.8631  -14.9149
            8   C1b C    18.1182  -14.2176
            9   N1b N    19.3036  -14.8452
            10  C1c C    20.4890  -14.1479
            11  C1a C    21.7442  -14.8452
            12  X   Cl   16.9328  -12.1257
            13  O1a O    16.8631  -16.3095
            14  C1a C    20.4890  -12.7533
            15  X   Cl   26.0400  -13.5100
            16  O0  O    26.3200  -15.1900
BOND        14
            1     4   7 1
            2     7   8 1
            3     1   2 2
            4     8   9 1
            5     2   3 1
            6     9  10 1
            7     3   4 2
            8    10  11 1
            9     4   5 1
            10    5  12 1
            11    5   6 2
            12    7  13 1
            13    6   1 1
            14   10  14 1


entry: D01836
name: --- - Doripenem hydrate (JAN)
formula: C15H24N4O6S2. H2O
remark: Therapeutic category: 6139
kcf:
ATOM        28
            1   O0  O    33.8674  -13.3997
            2   C1y C    31.1161  -16.3066
            3   C1y C    24.7756  -14.4249
            4   C5x C    24.7756  -15.7829
            5   N1y N    26.0656  -15.7829
            6   C1y C    26.0656  -14.4249
            7   C2y C    27.3557  -16.1903
            8   C2y C    28.1705  -15.1039
            9   C1y C    27.3557  -14.0175
            10  C6a C    27.7631  -17.4803
            11  O6a O    29.1211  -17.4803
            12  O6a O    27.0162  -18.5668
            13  S2a S    30.4217  -15.1039
            14  C1a C    27.7708  -12.7246
            15  C1c C    23.5643  -13.7255
            16  C1a C    22.3529  -14.4249
            17  O5x O    23.5643  -16.4822
            18  O1a O    23.5646  -12.3114
            19  C1x C    30.7067  -17.6419
            20  N1x N    31.8501  -18.4426
            21  C1y C    32.9649  -17.6028
            22  C1x C    32.5106  -16.2828
            23  C1b C    34.3530  -17.6028
            24  N1b N    35.0403  -16.4135
            25  S4a S    36.4627  -16.4147
            26  N1a N    37.8509  -16.4147
            27  O3c O    36.4621  -17.7738
            28  O3c O    36.4633  -14.9976
BOND        29
            1     3   4 1
            2     4   5 1
            3     5   6 1
            4     3   6 1
            5     5   7 1
            6     7   8 2
            7     8   9 1
            8     6   9 1
            9     7  10 1
            10   10  11 1
            11   10  12 2
            12    8  13 1
            13    9  14 1 #Up
            14    3  15 1
            15   15  16 1
            16    4  17 2
            17   15  18 1 #Up
            18    2  13 1 #Up
            19    2  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23    2  22 1
            24   23  24 1
            25   24  25 1
            26   21  23 1 #Up
            27   25  26 1
            28   25  27 2
            29   25  28 2


entry: D01837
name: --- - Etifelmine hydrochloride (JAN) - Tensinase D
formula: C17H19N. HCl
kcf:
ATOM        19
            1   X   Cl   26.4689  -17.8988
            2   C8x C    21.9753  -18.7775
            3   C8y C    21.9753  -17.3770
            4   C8x C    23.1912  -16.6767
            5   C8x C    24.3999  -17.3770
            6   C8x C    24.3999  -18.7775
            7   C8x C    23.1912  -19.4778
            8   C2c C    20.7627  -16.6760
            9   C8x C    17.1247  -18.7760
            10  C8x C    17.1247  -17.3754
            11  C8x C    18.3405  -16.6752
            12  C8y C    19.5492  -17.3754
            13  C8x C    19.5492  -18.7760
            14  C8x C    18.3405  -19.4763
            15  C2c C    20.7636  -15.2755
            16  C1b C    21.9770  -14.5760
            17  C1a C    23.1796  -15.2817
            18  C1b C    19.5511  -14.5745
            19  N1a N    18.3378  -15.2739
BOND        19
            1     3   4 1
            2     4   5 2
            3     5   6 1
            4     6   7 2
            5     9  10 2
            6    10  11 1
            7    11  12 2
            8    12  13 1
            9    13  14 2
            10   14   9 1
            11   12   8 1
            12    7   2 1
            13    8  15 2
            14   15  16 1
            15    3   8 1
            16   16  17 1
            17   15  18 1
            18    2   3 2
            19   18  19 1


entry: D01838
name: --- - Fabesetron hydrochloride (JAN) - FK 1052
formula: C18H19N3O. HCl
kcf:
ATOM        23
            1   N4y N    31.4356  -16.1872
            2   C8y C    32.7695  -16.6319
            3   C8y C    31.4415  -14.7831
            4   C5x C    30.2304  -16.8893
            5   C8y C    33.5887  -15.4911
            6   C8y C    32.7812  -14.3560
            7   C1x C    30.2304  -14.0869
            8   C1y C    29.0134  -16.1872
            9   O5x O    30.2362  -18.2877
            10  C1a C    33.2200  -13.0338
            11  C1x C    29.0134  -14.7831
            12  C8x C    34.9998  -15.4944
            13  C8x C    35.6865  -16.6901
            14  C8x C    35.0001  -17.8725
            15  C8x C    33.6001  -17.8691
            16  C1a C    27.8010  -14.0831
            17  C8y C    26.5886  -14.7831
            18  C8y C    26.5886  -16.1872
            19  C1b C    27.8010  -16.8872
            20  N5x N    25.2532  -14.3492
            21  C8x C    24.4278  -15.4852
            22  N4x N    25.2532  -16.6211
            23  X   Cl   38.2434  -16.3333
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     3   6 2
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    7  11 1
            11    5   6 1
            12    8  11 1
            13    5  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15   2 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21    8  19 1 #Up
            22   17  20 1
            23   20  21 2
            24   21  22 1
            25   18  22 1


entry: D01839
name: --- - Faropenem sodium (JP15) - Farom (TN)
formula: (C12H14NO5S. Na)2. 5H2O
remark: Therapeutic category: 6139
kcf:
ATOM        45
            1   C1y C    28.4249  -14.5646
            2   C5x C    28.4249  -15.9520
            3   N1y N    29.7429  -15.9520
            4   C1y C    29.7429  -14.5646
            5   C2y C    31.0609  -16.3681
            6   C2y C    31.8934  -15.2583
            7   S2x S    31.0609  -14.1484
            8   C6a C    31.4772  -17.6861
            9   O0  O    32.8645  -17.6861 #-
            10  O6a O    30.7141  -18.7960
            11  C1c C    27.1875  -13.8501
            12  C1a C    25.9499  -14.5646
            13  O5x O    27.1875  -16.6664
            14  O1a O    27.1878  -12.4054
            15  C1y C    33.2947  -15.2586
            16  O2x O    34.1440  -16.4280
            17  C1x C    35.5186  -15.9817
            18  C1x C    35.5189  -14.5364
            19  C1x C    34.1445  -14.0896
            20  Z   Na   34.4394  -17.8519 #+
            21  O0  O    40.2500  -15.2600
            22  C1y C    28.4249  -14.5646
            23  C5x C    28.4249  -15.9520
            24  N1y N    29.7429  -15.9520
            25  C1y C    29.7429  -14.5646
            26  S2x S    31.0609  -14.1484
            27  C2y C    31.8934  -15.2583
            28  C2y C    31.0609  -16.3681
            29  C6a C    31.4772  -17.6861
            30  O0  O    32.8645  -17.6861 #-
            31  O6a O    30.7141  -18.7960
            32  C1y C    33.2947  -15.2586
            33  O2x O    34.1440  -16.4280
            34  C1x C    35.5186  -15.9817
            35  C1x C    35.5189  -14.5364
            36  C1x C    34.1445  -14.0896
            37  O5x O    27.1875  -16.6664
            38  C1c C    27.1875  -13.8501
            39  C1a C    25.9499  -14.5646
            40  O1a O    27.1878  -12.4054
            41  Z   Na   34.4394  -17.8519 #+
            42  O0  O    40.2500  -15.2600
            43  O0  O    40.2500  -15.2600
            44  O0  O    40.2500  -15.2600
            45  O0  O    40.2500  -15.2600
BOND        42
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 2
            7     6   7 1
            8     4   7 1
            9     5   8 1
            10    8   9 1
            11    8  10 2
            12    1  11 1
            13   11  12 1
            14    2  13 2
            15   11  14 1 #Up
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   15  19 1
            21    6  15 1 #Down
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   22  25 1
            26   24  28 1
            27   28  27 2
            28   27  26 1
            29   25  26 1
            30   28  29 1
            31   29  30 1
            32   29  31 2
            33   22  38 1
            34   38  39 1
            35   23  37 2
            36   38  40 1 #Up
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   35  36 1
            41   32  36 1
            42   27  32 1 #Down


entry: D01840
name: --- - Fasudil hydrochloride (JAN)
formula: C14H17N3O2S. HCl
remark: Therapeutic category: 2190
kcf:
ATOM        21
            1   X   Cl   36.4277  -15.8330
            2   C1x C    30.6534  -14.4994
            3   C1x C    29.8113  -13.3898
            4   C1x C    30.1465  -12.0330
            5   N1x N    31.4075  -11.4549
            6   N1y N    32.0592  -14.5246
            7   C1x C    32.6611  -12.0772
            8   C1x C    32.9476  -13.4459
            9   S4a S    32.0592  -15.9246
            10  C8y C    32.0592  -17.3246
            11  O3c O    33.4596  -15.9246
            12  O3c O    30.6604  -15.9246
            13  C8x C    30.8624  -18.0151
            14  C8x C    30.8620  -19.4151
            15  C8x C    32.0743  -20.1155
            16  C8y C    33.2711  -19.4249
            17  C8y C    33.2715  -18.0249
            18  C8x C    34.4833  -20.1253
            19  N5x N    35.6959  -19.4256
            20  C8x C    35.6963  -18.0256
            21  C8x C    34.4841  -17.3253
BOND        22
            1     4   5 1
            2     2   6 1
            3     5   7 1
            4     3   4 1
            5     6   8 1
            6     2   3 1
            7     7   8 1
            8     6   9 1
            9     9  10 1
            10    9  11 2
            11    9  12 2
            12   10  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   10  17 1
            18   16  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   17  21 1


entry: D01841
name: --- - Felbinac ethyl (JAN) - LM 001
formula: C16H16O2
activity: Anti-inflammatory agent
remark: Therapeutic category: 2649
kcf:
ATOM        18
            1   C8y C    33.0828  -15.9530
            2   C8x C    31.8764  -15.2536
            3   C8x C    33.0828  -17.3576
            4   C8x C    30.6582  -15.9530
            5   C8x C    31.8764  -18.0569
            6   C8y C    30.6582  -17.3576
            7   C1b C    29.4517  -18.0569
            8   C7a C    28.2396  -17.3635
            9   O7a O    28.2396  -15.9647
            10  O7a O    27.0331  -18.0628
            11  C1b C    25.8345  -17.3709
            12  C8y C    34.3130  -15.2439
            13  C8x C    35.5220  -15.9431
            14  C8x C    36.7350  -15.2440
            15  C8x C    36.7360  -13.8440
            16  C8x C    35.5270  -13.1448
            17  C8x C    34.3140  -13.8439
            18  C1a C    24.6235  -18.0701
BOND        19
            1     2   4 1
            2     3   5 2
            3     4   6 2
            4     6   7 1
            5     7   8 1
            6     8   9 2
            7     8  10 1
            8     5   6 1
            9    10  11 1
            10    1   2 2
            11    1   3 1
            12    1  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   11  18 1


entry: D01842
name: --- - Fidarestat (JAN) - Aldos (TN) - SNK 860
formula: C12H10FN3O4
kcf:
ATOM        20
            1   C8y C    19.8258  -17.9601
            2   C8x C    19.8258  -19.3441
            3   C8x C    21.0272  -20.0360
            4   C8x C    21.0272  -17.2682
            5   C8y C    22.1750  -18.0067
            6   C8y C    22.2157  -19.3441
            7   O2x O    23.4112  -20.0410
            8   C1y C    24.6126  -19.3542
            9   C1x C    24.6185  -17.9703
            10  C1z C    23.4230  -17.2733
            11  C5a C    25.8081  -20.0512
            12  O5a O    25.8413  -21.4804
            13  N1a N    27.0114  -19.3677
            14  N1x N    24.6136  -16.5692
            15  C5x C    22.2162  -16.5762
            16  N1x N    22.5726  -15.2342
            17  C5x C    24.2501  -15.2272
            18  O5x O    25.0888  -14.1265
            19  X   F    18.6276  -17.2675
            20  O5x O    20.8323  -16.5762
BOND        22
            1     9  10 1
            2    10   5 1
            3     8  11 1 #Up
            4     1   2 2
            5    11  12 2
            6     2   3 1
            7    11  13 1
            8     3   6 2
            9    10  14 1 #Up
            10    5   4 2
            11   10  15 1 #Down
            12    4   1 1
            13   15  16 1
            14    5   6 1
            15   14  17 1
            16   16  17 1
            17    6   7 1
            18   17  18 2
            19    7   8 1
            20    1  19 1
            21    8   9 1
            22   15  20 2


entry: D01843
name: --- - Fludeoxyglucose (18F) (JAN) - Fludeoxyglucose F 18 (USP) - Fludeoxyglucose F 18 (TN) - 18DG
formula: C6H11FO5
activity: Diagnostic aid; Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        12
            1   C1y C    21.0505  -17.0556
            2   C1y C    21.0505  -18.4557
            3   C1y C    22.2660  -19.1558
            4   C1y C    23.4744  -18.4557
            5   O2x O    23.4744  -17.0556
            6   C1y C    22.2660  -16.3555
            7   O1a O    22.2678  -14.9553
            8   X   F    19.8383  -16.3548
            9   O1a O    22.2678  -20.5560
            10  O1a O    19.8383  -19.1565
            11  C1b C    24.6875  -19.1550
            12  O1a O    25.8997  -18.4539
BOND        12
            1     6   1 1
            2     6   7 1 #Up
            3     1   2 1
            4     1   8 1 #Up
            5     2   3 1
            6     3   9 1 #Up
            7     3   4 1
            8     2  10 1 #Down
            9     4   5 1
            10    4  11 1 #Down
            11    5   6 1
            12   11  12 1


entry: D01844
name: --- - Fondaparinux sodium (JAN/USAN) - Arixtra (TN)
formula: C31H43N3O49S8. 10Na
activity: Antithrombotic [indirect and selective synthetic factor Xa inhibitor]
remark: Therapeutic category: 3334
kcf:
ATOM        101
            1   C1y C    19.9001  -15.0491
            2   C1y C    19.9001  -16.4350
            3   C1y C    21.1004  -17.1280
            4   C1y C    22.3007  -16.4350
            5   O2x O    22.3007  -15.0491
            6   C1y C    21.1004  -14.3561
            7   O2a O    23.5010  -17.1280
            8   C1y C    24.7012  -16.4350
            9   C1y C    24.7012  -15.0491
            10  O1a O    23.5010  -14.3561
            11  C1y C    25.9015  -17.1280
            12  O2x O    27.1018  -16.4350
            13  C1y C    27.1018  -15.0491
            14  C1y C    25.9015  -14.3561
            15  O2a O    28.3020  -17.1280
            16  C1y C    29.5023  -16.4350
            17  C1y C    29.5023  -15.0491
            18  O2a O    28.3020  -14.3561
            19  C1y C    30.7026  -17.1280
            20  C1y C    31.9029  -16.4350
            21  O2x O    31.9029  -15.0491
            22  C1y C    30.7026  -14.3561
            23  O2a O    33.1032  -17.1280
            24  C1y C    34.3034  -16.4350
            25  C1y C    34.3034  -15.0491
            26  O1a O    33.1032  -14.3561
            27  C1y C    35.5037  -17.1280
            28  O2x O    36.7040  -16.4350
            29  C1y C    36.7040  -15.0491
            30  C1y C    35.5037  -14.3561
            31  O1a O    37.9042  -17.1280
            32  C1y C    39.1045  -16.4350
            33  C1y C    39.1045  -15.0491
            34  O2a O    37.9042  -14.3561
            35  C1y C    40.3048  -17.1280
            36  C1y C    41.5050  -16.4350
            37  O2x O    41.5050  -15.0491
            38  C1y C    40.3048  -14.3561
            39  O1a O    18.6999  -17.1280
            40  C1b C    21.1004  -12.9703
            41  O1a O    25.9015  -12.9704
            42  C1b C    30.7026  -12.9701
            43  O2a O    35.5037  -12.9701
            44  C1b C    40.3048  -12.9705
            45  O1a O    18.6999  -14.3561
            46  N1b N    21.1004  -18.5138
            47  C6a C    25.9015  -19.2067
            48  N1b N    30.7026  -18.8605
            49  O2a O    42.7172  -17.1350
            50  N1b N    40.3048  -18.8601
            51  C6a C    35.5037  -18.5140
            52  C1a C    43.9069  -16.4481
            53  S4a S    19.8835  -19.2165
            54  O3c O    18.6832  -19.9094
            55  O0  O    20.5765  -20.4167 #-
            56  O3c O    19.1905  -18.0164
            57  O2a O    22.2840  -12.2868
            58  S4a S    23.4842  -11.5938
            59  O3c O    24.6846  -10.9008
            60  O3c O    24.4689  -12.5787
            61  O0  O    22.5093  -10.6187 #-
            62  O2a O    41.4818  -12.2908
            63  S4a S    42.6820  -11.5979
            64  O3c O    43.8822  -10.9049
            65  O0  O    41.9874  -10.3949 #-
            66  O3c O    43.3733  -12.7951
            67  S4a S    36.6954  -12.2822
            68  O2a O    31.9089  -12.2737
            69  S4a S    33.1091  -11.5807
            70  O3c O    34.3094  -10.8877
            71  O0  O    32.4247  -10.3947 #-
            72  O3c O    33.8100  -12.7952
            73  O0  O    37.8956  -11.5892 #-
            74  O3c O    35.9942  -11.0673
            75  O3c O    37.3796  -13.4678
            76  S4a S    28.3020  -18.5140
            77  O0  O    28.3020  -19.8999 #-
            78  O3c O    29.6711  -18.5140
            79  O3c O    26.8992  -18.5140
            80  O0  O    36.6954  -19.2019 #-
            81  O6a O    34.2948  -19.2120
            82  O6a O    27.1224  -19.9118
            83  O0  O    24.7219  -19.8879 #-
            84  S4a S    31.9089  -19.5569
            85  S4a S    41.4818  -19.5398
            86  O0  O    33.1091  -20.2499 #-
            87  O3c O    31.2125  -20.7633
            88  O3c O    32.5982  -18.3628
            89  O3c O    42.6820  -20.2328
            90  O3c O    40.7757  -20.7633
            91  O0  O    42.1610  -18.3627 #-
            92  Z   Na   20.5931  -10.6140 #+
            93  Z   Na   22.1177  -20.4543 #+
            94  Z   Na   40.0658  -10.4061 #+
            95  Z   Na   30.3641  -10.4061 #+
            96  Z   Na   37.5711  -10.4754 #+
            97  Z   Na   28.2852  -20.9394 #+
            98  Z   Na   37.6404  -19.9692 #+
            99  Z   Na   24.4738  -20.9394 #+
            100 Z   Na   43.6693  -18.3754 #+
            101 Z   Na   34.5220  -20.5236 #+
BOND        95
            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 #Down
            8     8   7 1 #Up
            9     8   9 1
            10    9  10 1 #Down
            11    8  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16   16  15 1 #Up
            17   16  17 1
            18   17  18 1 #Down
            19   13  18 1 #Down
            20   16  19 1
            21   20  19 1
            22   20  21 1
            23   21  22 1
            24   17  22 1
            25   20  23 1 #Down
            26   24  23 1 #Up
            27   24  25 1
            28   25  26 1 #Down
            29   24  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   25  30 1
            34   32  31 1 #Up
            35   32  33 1
            36   33  34 1 #Down
            37   29  34 1 #Down
            38   32  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   33  38 1
            43    2  39 1 #Up
            44    6  40 1 #Up
            45   14  41 1 #Up
            46   22  42 1 #Up
            47   30  43 1 #Up
            48   38  44 1 #Up
            49    1  45 1 #Down
            50    3  46 1 #Down
            51   11  47 1 #Down
            52   19  48 1 #Down
            53   36  49 1 #Down
            54   35  50 1 #Down
            55   27  51 1 #Up
            56   49  52 1
            57   46  53 1
            58   53  54 2
            59   53  55 1
            60   53  56 2
            61   40  57 1
            62   57  58 1
            63   58  59 2
            64   58  60 2
            65   58  61 1
            66   44  62 1
            67   62  63 1
            68   63  64 2
            69   63  65 1
            70   63  66 2
            71   43  67 1
            72   42  68 1
            73   68  69 1
            74   69  70 2
            75   69  71 1
            76   69  72 2
            77   67  73 1
            78   67  74 2
            79   67  75 2
            80   15  76 1
            81   76  77 1
            82   76  78 2
            83   76  79 2
            84   51  80 1
            85   51  81 2
            86   47  82 2
            87   47  83 1
            88   48  84 1
            89   50  85 1
            90   84  86 1
            91   84  87 2
            92   84  88 2
            93   85  89 2
            94   85  90 2
            95   85  91 1


