# drugs

entry: D01424
name: --- - Aluminum lactate (JAN)
formula: C9H15AlO9
remark: Therapeutic category: 2790
kcf:
ATOM        19
            1   Z   Al   26.0804  -17.3333
            2   O7a O    26.1433  -15.9332
            3   O7a O    24.8715  -18.0394
            4   O7a O    27.5063  -18.0272
            5   C7a C    27.5134  -19.4270
            6   C1c C    28.7295  -20.1209
            7   O7a O    26.3045  -20.1332
            8   O1a O    28.6664  -21.5209
            9   C1a C    29.9382  -19.4148
            10  C7a C    23.6556  -17.3455
            11  C1c C    22.4467  -18.0516
            12  O7a O    23.6485  -15.9454
            13  O1a O    21.2308  -17.3578
            14  C1a C    22.4538  -19.4516
            15  C7a C    27.3522  -15.2271
            16  C1c C    27.3451  -13.8271
            17  O7a O    28.5683  -15.9210
            18  O1a O    28.5540  -13.1210
            19  C1a C    26.1292  -13.1332
BOND        18
            1     3  10 1
            2     1   3 1
            3    10  11 1
            4     5   6 1
            5    10  12 2
            6     1   2 1
            7    11  13 1
            8     5   7 2
            9    11  14 1
            10    1   4 1
            11    2  15 1
            12    6   8 1
            13   15  16 1
            14   15  17 2
            15    6   9 1
            16   16  18 1
            17    4   5 1
            18   16  19 1


entry: D01425
name: --- - Lopinavir (JAN/USAN)
formula: C37H48N4O5
activity: Antiviral [HIV protease inhibitor]
remark: Same as: C12871 Therapeutic category: 6250
comment: Component of Kaletra (TN)
kcf:
ATOM        46
            1   C8x C    26.1306  -22.8115
            2   C8x C    25.4366  -24.0227
            3   C8x C    24.0406  -24.0271
            4   C8x C    23.3387  -22.8205
            5   C8y C    24.0328  -21.6093
            6   C8x C    25.4287  -21.6048
            7   C1b C    23.3276  -20.3970
            8   C8y C    33.0172  -18.9945
            9   O2a O    31.8060  -18.2933
            10  C1b C    30.5948  -18.9945
            11  C5a C    29.3836  -18.2933
            12  N1b N    28.1724  -18.9945
            13  C1c C    26.9612  -18.2933
            14  C1c C    25.7500  -18.9945
            15  C1b C    24.5388  -18.2933
            16  C1c C    23.3276  -18.9945
            17  N1b N    22.1164  -18.2933
            18  C5a C    20.9053  -18.9945
            19  C1c C    19.6941  -18.2933
            20  N1y N    18.4829  -18.9945
            21  C8y C    34.2300  -18.2962
            22  C8x C    35.4412  -18.9974
            23  C8x C    35.4395  -20.3970
            24  C8x C    34.2266  -21.0953
            25  C8y C    33.0155  -20.3941
            26  C1a C    34.2317  -16.8938
            27  C1a C    31.8002  -21.0938
            28  O5a O    29.3836  -16.8909
            29  C1b C    26.9612  -16.8909
            30  C8y C    25.7468  -16.1897
            31  C8x C    24.5407  -16.8902
            32  C8x C    23.3263  -16.1890
            33  C8x C    23.3263  -14.7866
            34  C8x C    24.5407  -14.0854
            35  C8x C    25.7553  -14.7866
            36  O1a O    25.7548  -20.3934
            37  O5a O    20.9053  -20.3970
            38  C1c C    19.6941  -16.4709
            39  C1a C    18.4796  -15.7697
            40  C1a C    20.9087  -15.7697
            41  C1x C    18.4846  -20.3941
            42  C1x C    17.2734  -21.0953
            43  C1x C    16.0605  -20.3970
            44  N1x N    16.0588  -18.9974
            45  C5x C    17.2700  -18.2962
            46  O5x O    17.2685  -16.8938
BOND        49
            1    21  22 1
            2    22  23 2
            3    23  24 1
            4    24  25 2
            5    25   8 1
            6    12  13 1
            7    21  26 1
            8    25  27 1
            9    13  14 1
            10   11  28 2
            11    5   7 1
            12   13  29 1 #Down
            13   14  15 1
            14   29  30 1
            15    1   2 2
            16   15  16 1
            17    2   3 1
            18   16  17 1
            19    8   9 1
            20   30  31 2
            21   31  32 1
            22   32  33 2
            23   33  34 1
            24   34  35 2
            25   35  30 1
            26   14  36 1 #Up
            27   16   7 1 #Down
            28   17  18 1
            29    3   4 2
            30   18  37 2
            31   18  19 1
            32   19  38 1 #Up
            33    9  10 1
            34   38  39 1
            35   19  20 1
            36   38  40 1
            37    4   5 1
            38   10  11 1
            39    5   6 2
            40   11  12 1
            41    6   1 1
            42   20  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  20 1
            48    8  21 2
            49   45  46 2


entry: D01426
name: --- - Tinidazole (JP15/USP) - Haisigyn (TN)
formula: C8H13N3O4S
activity: Antiprotozoal
remark: Therapeutic category: 2529 6419
kcf:
ATOM        16
            1   N4y N    23.2452  -17.2159
            2   C8y C    22.8192  -18.5179
            3   C8y C    22.1292  -16.4001
            4   C1b C    24.3432  -16.5741
            5   C8x C    21.4513  -18.5179
            6   N2b N    23.6232  -19.6280 #+
            7   N5x N    21.0193  -17.2159
            8   C1a C    22.1292  -15.0322
            9   C1b C    25.4590  -17.2760
            10  O3a O    24.8292  -20.8099
            11  O0  O    22.1233  -20.8158 #-
            12  S4a S    26.6248  -16.6606
            13  C1b C    27.7406  -17.3624
            14  C1a C    28.9063  -16.7470
            15  O3c O    27.5485  -15.7215
            16  O3c O    25.6854  -15.7215
BOND        16
            1     2   6 1
            2     3   7 2
            3     3   8 1
            4     4   9 1
            5     6  10 2
            6     6  11 1
            7     5   7 1
            8     9  12 1
            9     1   2 1
            10   12  13 1
            11    1   3 1
            12   13  14 1
            13    1   4 1
            14   12  15 2
            15    2   5 2
            16   12  16 2


entry: D01427
name: --- - Benproperine phosphate (JAN) - Flaveric (TN)
formula: C21H27NO. H3PO4
remark: Therapeutic category: 2229
kcf:
ATOM        28
            1   P1b P    17.1241  -19.3619
            2   O1c O    18.5249  -19.3619
            3   O3b O    17.1172  -17.9612
            4   O1c O    17.1172  -20.7626
            5   O1c O    15.7234  -19.3619
            6   C8x C     3.6400  -18.7600
            7   C8x C     3.6400  -20.1600
            8   C8x C     4.8524  -20.8600
            9   C8x C     6.0649  -20.1600
            10  C8y C     6.0649  -18.7600
            11  C8x C     4.8524  -18.0600
            12  C8x C     8.4897  -20.1600
            13  C8y C     8.4897  -18.7600
            14  C1b C     7.2773  -18.0600
            15  C8x C     9.7022  -20.8600
            16  C8x C    10.9146  -20.1600
            17  C8x C    10.9146  -18.7600
            18  C8y C     9.7022  -18.0600
            19  O2a O     9.7022  -16.6603
            20  C1b C    10.9354  -15.9480
            21  C1c C    12.1415  -16.6441
            22  N1y N    13.3233  -15.9616
            23  C1a C    12.1420  -18.0596
            24  C1x C    14.5176  -16.6510
            25  C1x C    15.7300  -15.9510
            26  C1x C    15.7300  -14.5510
            27  C1x C    14.5357  -13.8615
            28  C1x C    13.3233  -14.5616
BOND        29
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     6   7 2
            6     7   8 1
            7     8   9 2
            8     9  10 1
            9    10  11 2
            10    6  11 1
            11   12  13 1
            12   13  14 1
            13   10  14 1
            14   12  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   13  18 2
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   21  23 1
            24   22  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   22  28 1


entry: D01428
name: --- - Fenoterol hydrobromide (JAN) - Berotec (TN)
formula: C17H21NO4. HBr
remark: Therapeutic category: 2252
kcf:
ATOM        23
            1   C8x C    37.3739  -14.9252
            2   C8y C    37.3739  -16.3281
            3   C8x C    36.1559  -17.0296
            4   C8x C    34.9451  -16.3281
            5   C8y C    34.9451  -14.9252
            6   C8x C    36.1559  -14.2237
            7   C1b C    33.7296  -14.2245
            8   C1c C    32.5201  -14.9180
            9   N1b N    31.3085  -14.2165
            10  C1b C    30.0968  -14.9109
            11  C1c C    28.8852  -14.2095
            12  C8y C    27.6735  -14.9039
            13  C1a C    32.5172  -16.3210
            14  O1a O    28.8882  -12.8065
            15  C8x C    27.6691  -16.3004
            16  C8y C    26.4574  -16.9947
            17  C8x C    25.2502  -16.2926
            18  C8y C    25.2548  -14.8961
            19  C8x C    26.4665  -14.2018
            20  O1a O    24.0421  -14.1908
            21  O1a O    26.4530  -18.3977
            22  O1a O    38.5886  -17.0301
            23  X   Br   39.4056  -13.5399
BOND        23
            1    10  11 1
            2     4   5 2
            3    11  12 1
            4     5   6 1
            5     8  13 1
            6     6   1 2
            7    11  14 1
            8     5   7 1
            9     7   8 1
            10    1   2 1
            11   12  15 1
            12   15  16 2
            13   16  17 1
            14   17  18 2
            15   18  19 1
            16   19  12 2
            17    8   9 1
            18   18  20 1
            19    2   3 2
            20   16  21 1
            21    9  10 1
            22    2  22 1
            23    3   4 1


entry: D01429
name: --- - Fosfluconazole (JAN) - Prodif (TN)
formula: C13H13F2N6O4P
remark: Therapeutic category: 6290
kcf:
ATOM        26
            1   C8x C    30.1700  -12.4600
            2   C8x C    30.1700  -13.8600
            3   C8y C    31.2900  -14.5600
            4   C8y C    32.4800  -13.8600
            5   C8x C    32.4800  -12.4600
            6   C8y C    31.2900  -11.7600
            7   X   F    31.2900  -10.4300
            8   X   F    33.7400  -14.5600
            9   C1d C    31.2900  -16.7300
            10  C1b C    30.1000  -17.4300
            11  C1b C    32.4800  -17.3600
            12  N4y N    28.9800  -16.7300
            13  N4y N    33.6700  -16.7300
            14  C8x C    28.9800  -15.3300
            15  C8x C    33.6700  -15.3300
            16  N5x N    27.6500  -14.9100
            17  C8x C    26.8100  -16.0300
            18  N5x N    27.6500  -17.1500
            19  N5x N    34.9300  -17.1500
            20  C8x C    35.7700  -16.0300
            21  N5x N    34.9300  -14.9100
            22  O2b O    31.2900  -18.0600
            23  P1b P    31.2900  -19.4600
            24  O3b O    31.2900  -20.7900
            25  O1c O    32.6900  -19.4600
            26  O1c O    29.9600  -19.4600
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     4   8 1
            9     3   9 1
            10    9  10 1
            11    9  11 1
            12   10  12 1
            13   11  13 1
            14   12  14 1
            15   13  15 1
            16   14  16 2
            17   16  17 1
            18   17  18 2
            19   12  18 1
            20   13  19 1
            21   19  20 2
            22   20  21 1
            23   15  21 2
            24    9  22 1
            25   22  23 1
            26   23  24 2
            27   23  25 1
            28   23  26 1


entry: D01430
name: --- - Tiopronin (JAN) - Thiola (TN)
formula: C5H9NO3S
remark: Therapeutic category: 3919
kcf:
ATOM        10
            1   C1a C    21.3102  -18.2722
            2   C1c C    22.5220  -17.5707
            3   C5a C    23.7338  -18.2653
            4   N1b N    24.9456  -17.5637
            5   C1b C    26.1573  -18.2581
            6   C6a C    27.3691  -17.5566
            7   O6a O    28.5809  -18.2510
            8   S1a S    22.5189  -16.1676
            9   O5a O    23.7368  -19.6684
            10  O6a O    27.3661  -16.1534
BOND        9
            1     2   3 1
            2     5   6 1
            3     1   2 1
            4     6   7 1
            5     3   4 1
            6     2   8 1
            7     3   9 2
            8     4   5 1
            9     6  10 2


entry: D01431
name: --- - Piromidic acid (JAN) - Panacid (TN) - PA
formula: C14H16N4O3
remark: Therapeutic category: 6241
comment: DNA replication inhibitor
kcf:
ATOM        21
            1   C8y C    22.6912  -19.5428
            2   N5x N    22.6912  -18.1441
            3   C8x C    23.9034  -17.4447
            4   N5x N    23.9034  -20.2421
            5   C8y C    25.1156  -19.5428
            6   C8y C    25.1156  -18.1441
            7   C8y C    26.3277  -17.4447
            8   C8y C    27.5400  -18.1441
            9   C8x C    27.5400  -19.5428
            10  N4y N    26.3277  -20.2421
            11  C6a C    28.7521  -17.4447
            12  O6a O    28.7521  -16.0461
            13  O6a O    29.9643  -18.0975
            14  N1y N    21.4790  -20.2421
            15  C1b C    26.3277  -21.6408
            16  O5x O    26.3277  -16.0461
            17  C1x C    21.3392  -21.6408
            18  C1x C    19.9405  -21.9205
            19  C1x C    19.2411  -20.7084
            20  C1x C    20.1736  -19.6826
            21  C1a C    25.1165  -22.3401
BOND        23
            1    10   5 1
            2     8  11 1
            3     1   2 1
            4    11  12 2
            5     2   3 2
            6    11  13 1
            7     3   6 1
            8     1  14 1
            9     5   4 1
            10   10  15 1
            11    4   1 2
            12    5   6 2
            13    7  16 2
            14    6   7 1
            15    7   8 1
            16    8   9 2
            17    9  10 1
            18   14  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  14 1
            23   15  21 1


entry: D01432
name: --- - Exatecan mesilate hydrate (JAN) - Exatecan mesylate (USAN) - Exatecan mesylate hydrate
formula: C24H24FN3O4. CH4SO3. 2H2O
activity: Antineoplastic
remark: Therapeutic category: 4291
kcf:
ATOM        39
            1   S4a S    38.0243  -13.9424
            2   O3c O    38.0176  -12.5604
            3   O3c O    38.0176  -15.3244
            4   C1a C    36.6422  -13.9355
            5   O1d O    39.4063  -13.9424
            6   O7x O    21.7833  -13.7308
            7   C7x C    21.7833  -15.1336
            8   C1z C    22.9982  -15.8351
            9   C2y C    24.2132  -15.1336
            10  C2y C    24.2132  -13.7308
            11  C1x C    22.9982  -13.0293
            12  C1x C    25.4281  -15.8351
            13  C1y C    26.6430  -15.1336
            14  N1y N    26.6430  -13.7308
            15  C5x C    25.4281  -13.0293
            16  C8y C    27.9772  -15.5671
            17  C8y C    28.8018  -14.4322
            18  C1x C    27.9772  -13.2973
            19  O7x O    20.5685  -15.8351
            20  O5x O    25.4281  -11.6265
            21  C1b C    22.0063  -16.8270
            22  O1a O    23.9901  -16.8270
            23  C1a C    22.0063  -18.2270
            24  C8y C    30.2018  -14.4322
            25  C8y C    30.8881  -15.6218
            26  C8y C    32.2699  -15.6220
            27  C8y C    30.1885  -16.8329
            28  N5x N    28.7704  -16.8330
            29  C1x C    32.9754  -14.4007
            30  C1y C    30.8990  -13.2248
            31  C1x C    32.2700  -13.2249
            32  C8y C    32.9645  -16.8256
            33  C1a C    34.3698  -16.8259
            34  C8y C    32.2766  -18.0162
            35  C8x C    30.8702  -18.0159
            36  X   F    32.9634  -19.2062
            37  N1a N    30.1944  -12.0038
            38  O0  O    38.8500  -17.7100
            39  O0  O    38.8500  -17.7100
BOND        41
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10    6  11 1
            11    9  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   10  15 1
            16   13  16 1
            17   16  17 2
            18   17  18 1
            19   14  18 1
            20    7  19 2
            21   15  20 2
            22    8  21 1 #Up
            23    8  22 1 #Down
            24   21  23 1
            25   17  24 1
            26   24  25 2
            27   25  26 1
            28   25  27 1
            29   27  28 2
            30   28  16 1
            31   26  29 1
            32   24  30 1
            33   30  31 1
            34   31  29 1
            35   26  32 2
            36   32  33 1
            37   32  34 1
            38   34  35 2
            39   35  27 1
            40   34  36 1
            41   30  37 1 #Up


entry: D01433
name: --- - trans-pi-Oxocamphor (JAN) - pi-Oxocamphor - Vitacampher (TN)
formula: C10H14O2
remark: Therapeutic category: 2112
kcf:
ATOM        12
            1   C1z C    25.8297  -15.5615
            2   C1z C    26.4457  -14.4462
            3   C5x C    24.6681  -16.1775
            4   C1x C    27.1793  -15.7966
            5   C1y C    26.4457  -16.6005
            6   C1x C    25.2840  -17.4515
            7   C1x C    27.8362  -16.9877
            8   C1a C    24.9407  -14.6570
            9   C4a C    27.3349  -13.5570
            10  C1a C    25.5565  -13.5570
            11  O5x O    23.4850  -15.7902
            12  O4a O    28.6599  -13.9127
BOND        13
            1     1   3 1
            2     1   4 1
            3     3   6 1
            4     4   7 1
            5     5   6 1
            6     5   7 1
            7     1   8 1
            8     2   9 1
            9     2  10 1
            10    3  11 2
            11    1   2 1 #Up
            12    5   2 1 #Up
            13    9  12 2


entry: D01434
name: --- - Deprodone propionate (JAN) - Allomidon (TN)
formula: C24H32O5
remark: Therapeutic category: 2646
kcf:
ATOM        29
            1   C1z C    30.0203  -13.6370
            2   C1z C    28.8427  -14.3192
            3   C1x C    31.1980  -14.3249
            4   O7a O    31.2037  -12.9491
            5   C5a C    30.0086  -12.2671
            6   C1y C    28.8427  -15.6774
            7   C1x C    27.6650  -13.6312
            8   C1a C    28.8368  -12.9317
            9   C1x C    31.1920  -15.6833
            10  C7a C    32.5912  -12.9491
            11  C1a C    31.2096  -11.5732
            12  O5a O    28.8077  -11.5849
            13  C1y C    27.6593  -16.3596
            14  C1y C    26.4816  -14.3132
            15  C1y C    26.4758  -15.6774
            16  C1x C    27.6650  -17.7238
            17  O1a O    25.2924  -13.6196
            18  C1z C    25.2981  -16.3596
            19  C1x C    26.4816  -18.4117
            20  C2y C    25.2981  -17.7295
            21  C2x C    24.1147  -15.6774
            22  C1a C    25.2865  -14.9954
            23  C2x C    24.1147  -18.4117
            24  C2x C    22.9312  -16.3596
            25  C5x C    22.9312  -17.7295
            26  O5x O    21.7421  -18.4058
            27  O7a O    33.2886  -14.1570
            28  C1b C    33.2886  -11.7411
            29  C1a C    34.6834  -11.7411
BOND        32
            1     1   5 1 #Up
            2     2   6 1
            3     2   7 1
            4     2   8 1 #Up
            5     3   9 1
            6     4  10 1
            7     5  11 1
            8     5  12 2
            9     6  13 1
            10    7  14 1
            11   13  15 1
            12   13  16 1
            13   14  17 1 #Up
            14   15  18 1
            15   16  19 1
            16   18  20 1
            17   18  21 1
            18   18  22 1 #Up
            19   20  23 2
            20   21  24 2
            21   23  25 1
            22   25  26 2
            23    6   9 1
            24   14  15 1
            25   19  20 1
            26   24  25 1
            27    1   2 1
            28   10  27 2
            29    1   3 1
            30   10  28 1
            31    1   4 1 #Down
            32   28  29 1


entry: D01435
name: --- - Ethoheptazine citrate (JAN)
formula: C16H23NO2. C6H8O7
kcf:
ATOM        32
            1   C8y C    22.8708  -17.6701
            2   C8x C    24.2714  -17.6701
            3   C8x C    24.9717  -16.4571
            4   C8x C    24.2714  -15.2442
            5   C8x C    22.8708  -15.2442
            6   C8x C    22.1705  -16.4571
            7   C1z C    22.1705  -18.8831
            8   C1x C    19.3450  -17.4844
            9   C1x C    20.6091  -16.8963
            10  C1x C    21.8678  -17.5178
            11  N1y N    19.0177  -18.8495
            12  C1x C    19.8816  -19.9549
            13  C1x C    21.2839  -19.9649
            14  C1a C    17.6490  -19.1470
            15  C7a C    23.3800  -19.5738
            16  O7a O    24.5896  -18.8735
            17  C1b C    25.7992  -19.5666
            18  C1a C    27.0088  -18.8663
            19  O7a O    23.3840  -20.9744
            20  C1d C    34.0335  -17.9056
            21  C1b C    32.8217  -18.6022
            22  C1b C    35.2453  -18.5962
            23  C6a C    34.7243  -16.6878
            24  O1a O    33.3250  -16.6878
            25  C6a C    31.6156  -17.9114
            26  C6a C    35.3036  -19.9955
            27  O6a O    34.0158  -15.4702
            28  O6a O    36.1293  -16.6878
            29  O6a O    30.4039  -18.6139
            30  O6a O    31.6739  -16.5123
            31  O6a O    36.4454  -20.6980
            32  O6a O    34.0158  -20.6921
BOND        32
            1     7  15 1
            2     1   7 1
            3    15  16 1
            4    16  17 1
            5     1   2 2
            6    17  18 1
            7     8   9 1
            8    15  19 2
            9     2   3 1
            10    9  10 1
            11    3   4 2
            12    8  11 1
            13   10   7 1
            14    4   5 1
            15   11  12 1
            16    5   6 2
            17    7  13 1
            18   12  13 1
            19    6   1 1
            20   11  14 1
            21   20  21 1
            22   20  22 1
            23   20  23 1
            24   20  24 1
            25   21  25 1
            26   22  26 1
            27   23  27 1
            28   23  28 2
            29   25  29 1
            30   25  30 2
            31   26  31 1
            32   26  32 2


entry: D01436
name: --- - Clorexolone (JAN/USAN)
formula: C14H17ClN2O3S
activity: Diuretic
remark: Therapeutic category: 2132
kcf:
ATOM        21
            1   C8y C    21.2596  -14.6066
            2   C8y C    21.2596  -13.2080
            3   C8x C    22.4738  -12.5087
            4   C8x C    22.4738  -15.3059
            5   C8y C    23.6808  -14.6066
            6   C8y C    23.6748  -13.2046
            7   C1x C    25.0064  -12.7657
            8   N1y N    25.8350  -13.8966
            9   C5x C    25.0157  -15.0343
            10  O5x O    25.4536  -16.3625
            11  C1y C    27.2336  -13.9609
            12  C1x C    27.9213  -12.7461
            13  C1x C    29.3199  -12.7403
            14  C1x C    30.0243  -13.9487
            15  C1x C    29.3299  -15.1626
            16  C1x C    27.9313  -15.1686
            17  S4a S    20.0487  -15.3066
            18  O3c O    21.0335  -16.3090
            19  O3c O    19.0487  -16.3090
            20  X   Cl   20.0487  -12.5082
            21  N1a N    18.8297  -14.6066
BOND        23
            1     9  10 2
            2     8  11 1
            3     1   2 2
            4     2   3 1
            5     3   6 2
            6     5   4 2
            7     5   6 1
            8    11  12 1
            9    12  13 1
            10   13  14 1
            11   14  15 1
            12   15  16 1
            13   16  11 1
            14    6   7 1
            15    1  17 1
            16    7   8 1
            17   17  18 2
            18    8   9 1
            19   17  19 2
            20    9   5 1
            21    2  20 1
            22    4   1 1
            23   17  21 1


entry: D01437
name: --- - Nifenazone (JAN)
formula: C17H16N4O2
kcf:
ATOM        23
            1   N4y N    22.6351  -17.0730
            2   C8y C    21.4387  -17.8085
            3   C8y C    23.9368  -17.6158
            4   N4y N    22.7519  -15.6838
            5   C8x C    20.2012  -17.1373
            6   C8x C    21.4036  -19.2094
            7   C8y C    24.8473  -16.5535
            8   O5x O    24.2579  -18.9817
            9   C8y C    24.1177  -15.3569
            10  C1a C    21.6838  -14.7675
            11  C8x C    19.0046  -17.8726
            12  C8x C    20.2770  -19.9389
            13  C1a C    24.6489  -14.0612
            14  C8x C    18.9756  -19.2794
            15  N1b N    26.2405  -16.5506
            16  C5a C    26.9412  -17.7587
            17  C8y C    28.3376  -17.7557
            18  O5a O    26.2455  -18.9695
            19  C8x C    29.0326  -18.9593
            20  N5x N    30.4291  -18.9565
            21  C8x C    31.1250  -17.7455
            22  C8x C    30.4242  -16.5376
            23  C8x C    29.0277  -16.5405
BOND        25
            1     4  10 1
            2     5  11 2
            3     6  12 1
            4     9  13 1
            5    11  14 1
            6     7   9 2
            7    12  14 2
            8     7  15 1
            9     1   2 1
            10   15  16 1
            11    1   3 1
            12   16  17 1
            13    1   4 1
            14   16  18 2
            15    2   5 1
            16    2   6 2
            17    3   7 1
            18    3   8 2
            19    4   9 1
            20   17  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  17 1


entry: D01438
name: --- - Perlapine (JAN/USAN) - Hypnodin (TN)
formula: C19H21N3
activity: Sedative-hypnotic
remark: Therapeutic category: 1129
kcf:
ATOM        22
            1   C1x C    22.6885  -20.1362
            2   C1x C    22.6885  -21.5493
            3   N1y N    23.9153  -22.2559
            4   C1x C    25.1349  -21.5493
            5   C1x C    25.1349  -20.1362
            6   N1y N    23.9153  -19.4296
            7   C2y C    23.9170  -18.0164
            8   C1a C    23.9170  -23.6691
            9   N2x N    25.3997  -17.9582
            10  C8y C    26.0907  -17.0359
            11  C8y C    26.0966  -15.7069
            12  C8x C    27.2485  -17.7093
            13  C1x C    24.5609  -14.7322
            14  C8x C    27.2603  -15.0453
            15  C8x C    28.4121  -17.0478
            16  C8x C    28.4179  -15.7069
            17  C8y C    23.1435  -17.0537
            18  C8y C    23.1846  -15.6774
            19  C8x C    22.0131  -14.9537
            20  C8x C    20.8007  -15.6063
            21  C8x C    20.7596  -16.9827
            22  C8x C    21.9311  -17.7065
BOND        25
            1     6   7 1
            2     1   2 1
            3     9   7 2
            4     9  10 1
            5     7  17 1
            6    10  11 2
            7    10  12 1
            8    11  13 1
            9    11  14 1
            10   12  15 2
            11   14  16 2
            12   18  13 1
            13   15  16 1
            14    3   8 1
            15    2   3 1
            16    3   4 1
            17    4   5 1
            18    5   6 1
            19    6   1 1
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  17 2


entry: D01439
name: --- - Perisoxal citrate (JAN)
formula: (C16H20N2O2)2. C6H8O7
kcf:
ATOM        53
            1   C8y C    20.6443  -47.5784
            2   C1c C    21.3568  -47.1659
            3   C1b C    22.0693  -47.5742
            4   N1y N    22.7818  -47.1617
            5   C8x C    17.1667  -46.3417
            6   C8x C    17.1667  -47.1667
            7   C8x C    17.8829  -47.5792
            8   C8y C    18.5949  -47.1667
            9   C8x C    18.5949  -46.3417
            10  C8x C    17.8829  -45.9292
            11  C8y C    19.3096  -47.5786
            12  N5x N    20.3875  -48.3625
            13  C8x C    19.9750  -47.0917
            14  O2x O    19.5625  -48.3625
            15  C1x C    23.4906  -47.5731
            16  C1x C    24.2031  -47.1606
            17  C1x C    24.2021  -46.3373
            18  C1x C    23.4886  -45.9266
            19  C1x C    22.7761  -46.3391
            20  O1a O    21.3550  -46.3409
            21  C8y C    20.6443  -44.0367
            22  C1c C    21.3568  -43.6242
            23  C1b C    22.0693  -44.0326
            24  N1y N    22.7818  -43.6201
            25  C8x C    17.1667  -42.8000
            26  C8x C    17.1667  -43.6250
            27  C8x C    17.8829  -44.0375
            28  C8y C    18.5949  -43.6250
            29  C8x C    18.5949  -42.8000
            30  C8x C    17.8829  -42.3875
            31  C8y C    19.3096  -44.0370
            32  N5x N    20.3875  -44.8209
            33  C8x C    19.9750  -43.5500
            34  O2x O    19.5625  -44.8209
            35  C1x C    23.4906  -44.0315
            36  C1x C    24.2031  -43.6190
            37  C1x C    24.2021  -42.7957
            38  C1x C    23.4886  -42.3849
            39  C1x C    22.7761  -42.7974
            40  O1a O    21.3550  -42.7992
            41  C1d C    27.8568  -44.9924
            42  C1b C    27.1430  -45.4027
            43  C1b C    28.5706  -45.3992
            44  C6a C    28.2637  -44.2751
            45  O1a O    27.4395  -44.2751
            46  C6a C    26.4326  -44.9958
            47  C6a C    28.5637  -46.2234
            48  O6a O    27.8464  -43.5579
            49  O6a O    29.0913  -44.2751
            50  O6a O    25.7189  -45.4096
            51  O6a O    26.4257  -44.1717
            52  O6a O    29.2775  -46.6372
            53  O6a O    27.8464  -46.6337
BOND        56
            1     2   3 1
            2    12   1 2
            3     1  13 1
            4    13  11 2
            5    25  26 2
            6    26  27 1
            7    27  28 2
            8    28  29 1
            9    29  30 2
            10   30  25 1
            11   11  14 1
            12   28  31 1
            13   14  12 1
            14    3   4 1
            15   32  21 2
            16   21  33 1
            17   33  31 2
            18   31  34 1
            19   34  32 1
            20    5   6 2
            21    6   7 1
            22    7   8 2
            23    4  15 1
            24   15  16 1
            25   24  35 1
            26   35  36 1
            27   36  37 1
            28   37  38 1
            29   38  39 1
            30   39  24 1
            31   16  17 1
            32   22  40 1
            33   17  18 1
            34   18  19 1
            35   19   4 1
            36    8   9 1
            37    2  20 1
            38    9  10 2
            39   10   5 1
            40   21  22 1
            41   22  23 1
            42    8  11 1
            43   23  24 1
            44    1   2 1
            45   41  42 1
            46   41  43 1
            47   41  44 1
            48   41  45 1
            49   42  46 1
            50   43  47 1
            51   44  48 1
            52   44  49 2
            53   46  50 1
            54   46  51 2
            55   47  52 1
            56   47  53 2


entry: D01440
name: --- - Etafenone hydrochloride (JAN)
formula: C21H27NO2. HCl
remark: Same as: C12886 Therapeutic category: 2171
kcf:
ATOM        25
            1   C8x C    33.2014  -16.4600
            2   C8x C    33.2014  -15.0573
            3   C8x C    31.9837  -14.3559
            4   C8y C    30.7731  -15.0573
            5   C8y C    30.7731  -16.4600
            6   C8x C    31.9837  -17.1614
            7   C5a C    29.5671  -17.1542
            8   C1b C    28.3557  -16.4529
            9   C1b C    27.1442  -17.1471
            10  C8y C    25.9328  -16.4457
            11  O5a O    29.5654  -18.5570
            12  C8x C    24.7230  -14.3445
            13  C8x C    23.5099  -15.0430
            14  C8x C    23.5082  -16.4428
            15  C8x C    24.7196  -17.1442
            16  O2a O    29.5579  -14.3568
            17  C1b C    29.5567  -12.9541
            18  C1b C    28.3416  -12.2535
            19  C8x C    25.9139  -15.0609
            20  N1c N    28.3405  -10.8500
            21  C1b C    27.1347  -10.1550
            22  C1b C    29.5595  -10.1450
            23  C1a C    25.9440  -10.8438
            24  C1a C    30.7599  -10.8370
            25  X   Cl   36.7082  -16.0065
BOND        25
            1     5   6 2
            2     6   1 1
            3    10  19 2
            4    19  12 1
            5    12  13 2
            6    13  14 1
            7    14  15 2
            8    15  10 1
            9     5   7 1
            10    4  16 1
            11   16  17 1
            12    7   8 1
            13   17  18 1
            14    1   2 2
            15    8   9 1
            16    2   3 1
            17    9  10 1
            18    3   4 2
            19    7  11 2
            20    4   5 1
            21   18  20 1
            22   20  21 1
            23   20  22 1
            24   21  23 1
            25   22  24 1


entry: D01441
name: --- - Imatinib mesilate (JAN) - Glivec (TN)
formula: C29H31N7O. CH4SO3
remark: Therapeutic category: 4291
comment: Treatment of chronic myelogenous leukemia (CML) and gastrointestinal stromal tumors (GIST)
kcf:
ATOM        42
            1   C8x C    22.1375  -12.9292
            2   C8y C    22.1375  -13.7542
            3   C8x C    22.8537  -14.1667
            4   C8x C    23.5657  -13.7542
            5   C8y C    23.5657  -12.9292
            6   C8x C    22.8537  -12.5167
            7   C5a C    24.2750  -12.5167
            8   N1b N    24.9875  -12.9250
            9   C8y C    25.7000  -12.5125
            10  C8x C    26.4135  -12.9233
            11  C8y C    27.1260  -12.5108
            12  C8y C    27.1250  -11.6875
            13  C8x C    26.4115  -11.2767
            14  C8x C    25.6990  -11.6892
            15  N1b N    27.8410  -12.9224
            16  C8y C    28.5549  -12.5091
            17  N5x N    29.2688  -12.9210
            18  C8y C    29.9827  -12.5077
            19  C8x C    29.9817  -11.6827
            20  C8x C    29.2668  -11.2710
            21  N5x N    28.5528  -11.6844
            22  C8y C    30.6977  -12.9193
            23  C8x C    30.6966  -13.7414
            24  N5x N    31.4116  -14.1530
            25  C8x C    32.1256  -13.7397
            26  C8x C    32.1246  -12.9147
            27  C8x C    31.4096  -12.5030
            28  C1b C    21.4232  -14.1670
            29  N1y N    20.7086  -13.7549
            30  C1x C    20.7084  -12.9307
            31  C1x C    19.9937  -12.5186
            32  N1y N    19.2794  -12.9315
            33  C1x C    19.2799  -13.7565
            34  C1x C    19.9945  -14.1686
            35  C1a C    18.5648  -12.5193
            36  O5a O    24.2724  -11.6917
            37  C1a C    27.8390  -11.2741
            38  S4a S    35.0250  -12.6792
            39  O3c O    35.0292  -11.8542
            40  O3c O    35.0292  -13.5042
            41  C1a C    34.2000  -12.6792
            42  O1d O    35.8500  -12.6792
BOND        45
            1    18  19 2
            2    19  20 1
            3    20  21 2
            4    21  16 1
            5     3   4 2
            6    18  22 1
            7     4   5 1
            8     5   6 2
            9     6   1 1
            10    9  10 2
            11   10  11 1
            12   22  23 2
            13   23  24 1
            14   24  25 2
            15   25  26 1
            16   26  27 2
            17   27  22 1
            18   11  12 2
            19    2  28 1
            20   12  13 1
            21   28  29 1
            22   13  14 2
            23   14   9 1
            24   11  15 1
            25    5   7 1
            26   29  30 1
            27   30  31 1
            28   31  32 1
            29   32  33 1
            30   33  34 1
            31   34  29 1
            32   15  16 1
            33   32  35 1
            34    7  36 2
            35    7   8 1
            36   12  37 1
            37    1   2 2
            38    8   9 1
            39   38  39 2
            40    2   3 1
            41   38  40 2
            42   16  17 2
            43   38  41 1
            44   17  18 1
            45   38  42 1


entry: D01443
name: --- - Decanohydroxamic acid (JAN)
formula: C10H21NO2
remark: Same as: C12889
kcf:
ATOM        13
            1   N1b N    27.3915  -21.3569
            2   C5a C    28.5437  -20.6898
            3   C1b C    29.6958  -21.3501
            4   C1b C    30.9809  -20.6831
            5   C1a C    32.4657  -21.3434
            6   O5a O    28.5407  -19.3558
            7   O1b O    26.2356  -20.6913
            8   C1b C    29.6958  -21.3501
            9   C1b C    30.9809  -20.6831
            10  C1b C    29.6958  -21.3501
            11  C1b C    30.9809  -20.6831
            12  C1b C    29.6958  -21.3501
            13  C1b C    30.9809  -20.6831
BOND        12
            1     2   6 2
            2     1   2 1
            3     1   7 1
            4     3   4 1
            5     4   5 1
            6     8   9 1
            7     3   9 1
            8    10  11 1
            9     8  11 1
            10   12  13 1
            11   10  13 1
            12   12   2 1


entry: D01444
name: --- - Bunitrolol hydrochloride (JAN) - Betrilol (TN)
formula: C14H20N2O2. HCl
remark: Therapeutic category: 2149
kcf:
ATOM        19
            1   X   Cl   28.0805  -16.6064
            2   C8x C    23.8210  -17.5700
            3   C8x C    23.8151  -16.1619
            4   C8x C    22.6058  -18.2711
            5   C8y C    22.6058  -15.4608
            6   C8x C    21.3906  -17.5641
            7   C8y C    21.3906  -16.1619
            8   C3b C    20.1755  -15.4608
            9   N3a N    18.9614  -14.7713
            10  O2a O    22.6071  -14.0631
            11  C1b C    23.8183  -13.3656
            12  C1c C    25.0282  -14.0656
            13  C1b C    26.2394  -13.3679
            14  N1b N    27.4491  -14.0682
            15  C1d C    28.6603  -13.3705
            16  O1a O    25.0267  -15.4634
            17  C1a C    29.8702  -14.0705
            18  C1a C    28.6618  -11.9727
            19  C1a C    29.8666  -12.6577
BOND        18
            1    14  15 1
            2     7   8 1
            3     8   9 3
            4     6   7 2
            5     5  10 1
            6     2   3 1
            7    10  11 1
            8     2   4 2
            9    11  12 1
            10    3   5 2
            11   12  13 1
            12    4   6 1
            13   13  14 1
            14   16  12 1
            15   15  17 1
            16   15  18 1
            17    5   7 1
            18   15  19 1


entry: D01445
name: --- - Ifenprodil tartrate (JP15) - Cerocral (TN)
formula: (C21H27NO2)2. C4H6O6
remark: Therapeutic category: 2190
kcf:
ATOM        58
            1   C8x C    -1.2834  -11.2792
            2   C8y C    -1.2834  -12.1084
            3   C8x C    -0.5630  -12.5250
            4   C8x C     0.1532  -12.1084
            5   C8y C     0.1532  -11.2792
            6   C8x C    -0.5630  -10.8667
            7   C1c C     0.8680  -10.8672
            8   O1a O    -2.0017  -12.5253
            9   C1c C     1.5863  -11.2802
            10  N1y N     2.3053  -10.8683
            11  C1a C     1.5857  -12.1094
            12  O1a O     0.8686  -10.0380
            13  C1x C     3.0215  -11.2815
            14  C1x C     3.7404  -10.8695
            15  C1y C     3.7410  -10.0403
            16  C1x C     3.0227   -9.6232
            17  C1x C     2.3038  -10.0392
            18  C1b C     4.4600   -9.6242
            19  C8y C     5.1783  -10.0414
            20  C8x C     5.1741  -10.8663
            21  C8x C     5.8924  -11.2793
            22  C8x C     6.6071  -10.8673
            23  C8x C     6.6077  -10.0381
            24  C8x C     5.8936   -9.6210
            25  C1c C    10.3713  -11.4556
            26  C1c C    11.0851  -11.0418
            27  C6a C     9.6541  -11.0487
            28  O1a O    10.3679  -12.2832
            29  C6a C    11.7989  -11.4522
            30  O1a O    11.0782  -10.2142
            31  O6a O     8.9369  -11.4591
            32  O6a O     9.6507  -10.2177
            33  O6a O    12.5162  -11.0384
            34  O6a O    11.7955  -12.2797
            35  C8x C    -1.2834  -11.2792
            36  C8y C    -1.2834  -12.1084
            37  C8x C    -0.5630  -12.5250
            38  C8x C     0.1532  -12.1084
            39  C8y C     0.1532  -11.2792
            40  C8x C    -0.5630  -10.8667
            41  C1c C     0.8680  -10.8672
            42  O1a O    -2.0017  -12.5253
            43  C1c C     1.5863  -11.2802
            44  N1y N     2.3053  -10.8683
            45  C1a C     1.5857  -12.1094
            46  O1a O     0.8686  -10.0380
            47  C1x C     3.0215  -11.2815
            48  C1x C     3.7404  -10.8695
            49  C1y C     3.7410  -10.0403
            50  C1x C     3.0227   -9.6232
            51  C1x C     2.3038  -10.0392
            52  C1b C     4.4600   -9.6242
            53  C8y C     5.1783  -10.0414
            54  C8x C     5.1741  -10.8663
            55  C8x C     5.8924  -11.2793
            56  C8x C     6.6071  -10.8673
            57  C8x C     6.6077  -10.0381
            58  C8x C     5.8936   -9.6210
BOND        61
            1     3   4 2
            2     9  11 1
            3    19  20 2
            4    20  21 1
            5    21  22 2
            6    25  26 1
            7    25  27 1
            8    25  28 1 #Up
            9    26  29 1
            10   26  30 1 #Up
            11   27  31 1
            12   27  32 2
            13   29  33 1
            14   29  34 2
            15   22  23 1
            16   23  24 2
            17   24  19 1
            18    4   5 1
            19    7  12 1
            20    5   6 2
            21    6   1 1
            22    5   7 1
            23   10  13 1
            24   13  14 1
            25   14  15 1
            26   15  16 1
            27   16  17 1
            28   17  10 1
            29    2   8 1
            30   15  18 1
            31    1   2 2
            32   18  19 1
            33    7   9 1
            34    2   3 1
            35    9  10 1
            36   36  37 1
            37   43  44 1
            38   37  38 2
            39   43  45 1
            40   53  54 2
            41   54  55 1
            42   55  56 2
            43   56  57 1
            44   57  58 2
            45   58  53 1
            46   38  39 1
            47   41  46 1
            48   39  40 2
            49   40  35 1
            50   39  41 1
            51   44  47 1
            52   47  48 1
            53   48  49 1
            54   49  50 1
            55   50  51 1
            56   51  44 1
            57   36  42 1
            58   49  52 1
            59   35  36 2
            60   52  53 1
            61   41  43 1


entry: D01446
name: --- - Magnesium carbonate (JP15/USP) - Magnesium carbonate (TN)
formula: CO3. Mg. xH2O
activity: Antacid
remark: Therapeutic category: 2344 2355
comment: Component of Bufferin (TN), Renacidin (TN)
kcf:
ATOM        6
            1   C6a C    23.6664  -19.7422
            2   O6a O    23.6594  -18.3422
            3   O0  O    22.4576  -20.4483 #-
            4   O0  O    24.8824  -20.4360 #-
            5   O0  O    28.4526  -19.0959
            6   Z   Mg   19.1100  -19.1100 #2+
BOND        3
            1     1   3 1
            2     1   4 1
            3     1   2 2


entry: D01447
name: --- - Thioproperazine mesilate (JAN)
formula: C22H30N4O2S2. (CH4SO3)2
remark: Therapeutic category: 1172
kcf:
ATOM        40
            1   S2x S    15.9131  -20.7714
            2   N1y N    15.9131  -17.9714
            3   C8y C    17.1213  -18.6715
            4   C8y C    17.1154  -20.0715
            5   C8x C    18.3248  -20.7765
            6   C8x C    19.5402  -20.0818
            7   C8y C    19.5463  -18.6819
            8   C8x C    18.3369  -17.9768
            9   C8y C    14.6978  -20.0715
            10  C8y C    14.6978  -18.6715
            11  C8x C    13.4856  -17.9714
            12  C8x C    12.2732  -18.6715
            13  C8x C    12.2732  -20.0715
            14  C8x C    13.4856  -20.7714
            15  C1b C    15.9150  -16.5715
            16  C1b C    17.1283  -15.8731
            17  C1b C    17.1300  -14.4024
            18  N1y N    18.3434  -13.7040
            19  C1x C    19.5497  -14.4077
            20  C1x C    20.7630  -13.7094
            21  N1y N    20.7646  -12.3094
            22  C1x C    19.5532  -11.6079
            23  C1x C    18.3400  -12.3064
            24  C1a C    21.9779  -11.6110
            25  S4a S    20.7572  -17.9898
            26  N1c N    21.9668  -18.6953
            27  O3c O    21.7265  -17.0271
            28  O3c O    19.7645  -17.0271
            29  C1a C    23.1945  -17.9936
            30  C1a C    21.9607  -20.0899
            31  S4a S    30.1825  -18.0986
            32  O3c O    30.1896  -16.6986
            33  O3c O    30.1896  -19.4985
            34  C1a C    28.7825  -18.0986
            35  O1d O    31.5824  -18.0986
            36  S4a S    30.1825  -18.0986
            37  O3c O    30.1896  -16.6986
            38  O3c O    30.1896  -19.4985
            39  C1a C    28.7825  -18.0986
            40  O1d O    31.5824  -18.0986
BOND        41
            1    17  18 1
            2     6   7 1
            3     7   8 2
            4     8   3 1
            5     2  10 1
            6    18  19 1
            7    19  20 1
            8    20  21 1
            9    21  22 1
            10   22  23 1
            11   23  18 1
            12   21  24 1
            13    9   1 1
            14    1   4 1
            15    9  10 2
            16   10  11 1
            17   11  12 2
            18   12  13 1
            19   13  14 2
            20   14   9 1
            21    3   2 1
            22    2  15 1
            23    3   4 2
            24   15  16 1
            25    4   5 1
            26   16  17 1
            27    5   6 2
            28    7  25 1
            29   25  26 1
            30   25  27 2
            31   25  28 2
            32   26  29 1
            33   26  30 1
            34   31  32 2
            35   31  33 2
            36   31  34 1
            37   31  35 1
            38   36  37 2
            39   36  38 2
            40   36  39 1
            41   36  40 1


entry: D01448
name: --- - Trifluoperazine maleate (JAN) - Trifluoperazine (TN)
formula: C21H24F3N3S. (C4H4O4)2
remark: Therapeutic category: 1172
kcf:
ATOM        44
            1   C8y C    17.5418  -18.2333
            2   N1y N    18.7497  -17.5389
            3   C8y C    17.5418  -19.6278
            4   C8x C    16.3282  -17.5389
            5   C8y C    19.9750  -18.2567
            6   C1b C    18.7497  -16.1210
            7   S2x S    18.7497  -20.3163
            8   C8x C    16.3282  -20.3163
            9   C8x C    15.1203  -18.2567
            10  C8y C    19.9750  -19.6045
            11  C8x C    21.1887  -17.5565
            12  C1b C    19.9750  -15.4208
            13  C8x C    15.1203  -19.6045
            14  C8x C    21.1887  -20.3046
            15  C8y C    22.4140  -18.2683
            16  C1b C    19.9750  -14.0146
            17  C8x C    22.4140  -19.5928
            18  N1y N    21.1887  -13.3145
            19  C1x C    21.2004  -11.9140
            20  C1x C    22.3965  -14.0146
            21  C1x C    22.4140  -11.2254
            22  C1x C    23.6277  -13.3028
            23  N1y N    23.6277  -11.9374
            24  C1a C    24.8647  -11.2664
            25  C1d C    23.6161  -17.5764
            26  X   F    24.7800  -16.8700
            27  X   F    24.2900  -18.7600
            28  X   F    22.8900  -16.3800
            29  C2b C    32.6453  -16.0332
            30  C2b C    31.0108  -16.0390
            31  C6a C    33.3225  -17.2123
            32  C6a C    30.3395  -17.2240
            33  O6a O    32.6510  -18.3856
            34  O6a O    34.6884  -17.1949
            35  O6a O    28.9735  -17.2240
            36  O6a O    31.0223  -18.3973
            37  C2b C    32.6453  -16.0332
            38  C2b C    31.0108  -16.0390
            39  C6a C    30.3395  -17.2240
            40  O6a O    28.9735  -17.2240
            41  O6a O    31.0223  -18.3973
            42  C6a C    33.3225  -17.2123
            43  O6a O    32.6510  -18.3856
            44  O6a O    34.6884  -17.1949
BOND        45
            1    10  14 1
            2    11  15 2
            3    12  16 1
            4    14  17 2
            5    16  18 1
            6    18  19 1
            7    18  20 1
            8    19  21 1
            9    20  22 1
            10   21  23 1
            11   23  24 1
            12    7  10 1
            13    9  13 1
            14   15  17 1
            15   22  23 1
            16    1   2 1
            17    1   3 2
            18    1   4 1
            19    2   5 1
            20    2   6 1
            21    3   7 1
            22    3   8 1
            23    4   9 2
            24    5  10 2
            25    5  11 1
            26    6  12 1
            27    8  13 2
            28   15  25 1
            29   25  26 1
            30   25  27 1
            31   25  28 1
            32   29  30 2
            33   29  31 1
            34   30  32 1
            35   31  33 1
            36   31  34 2
            37   32  35 1
            38   32  36 2
            39   37  38 2
            40   37  42 1
            41   38  39 1
            42   42  43 1
            43   42  44 2
            44   39  40 1
            45   39  41 2


entry: D01449
name: --- - Carpipramine maleate (JAN) - Defekton (TN)
formula: C28H38N4O. C4H4O4
remark: Same as: C12896 Therapeutic category: 1179
kcf:
ATOM        41
            1   C2b C    29.2393  -18.2809
            2   C2b C    27.5406  -18.2866
            3   C6a C    29.9140  -19.4559
            4   C6a C    26.8715  -19.4675
            5   O6a O    29.2450  -20.6252
            6   O6a O    25.5102  -19.4675
            7   O6a O    27.5520  -20.6369
            8   O6a O    31.2966  -19.4546
            9   C1x C    17.7989  -21.0089
            10  C8y C    16.9638  -19.8953
            11  C8y C    17.3117  -18.5730
            12  N1y N    18.5645  -17.9466
            13  C1x C    19.1909  -21.0089
            14  C8y C    19.7477  -18.5730
            15  C8y C    20.0261  -19.9649
            16  C8x C    16.2678  -17.5986
            17  C8x C    14.9454  -17.9466
            18  C8x C    14.5974  -19.3385
            19  C8x C    15.6414  -20.3129
            20  C8x C    21.3484  -20.3825
            21  C8x C    22.3924  -19.4777
            22  C8x C    22.1140  -18.0858
            23  C8x C    20.7916  -17.6682
            24  C1b C    18.5645  -16.5546
            25  C1b C    19.7477  -15.8587
            26  C1b C    20.9560  -16.5498
            27  N1y N    22.1376  -15.8609
            28  C1x C    23.3271  -16.5412
            29  C1x C    24.5297  -15.8404
            30  C1z C    24.5241  -14.4484
            31  C1x C    23.3346  -13.7681
            32  C1x C    22.1320  -14.4690
            33  N1y N    25.7377  -13.7409
            34  C1x C    26.9553  -14.4368
            35  C1x C    28.1578  -13.7355
            36  C1x C    28.1516  -12.3436
            37  C1x C    26.9339  -11.6477
            38  C1x C    25.7315  -12.3489
            39  C5a C    25.7172  -15.7111
            40  O5a O    25.6942  -17.1110
            41  N1a N    27.0251  -15.2016
BOND        44
            1     4   6 1
            2     4   7 2
            3     1   2 2
            4     1   3 1
            5     2   4 1
            6     3   5 1
            7     3   8 2
            8    11  12 1
            9     9  13 1
            10   12  14 1
            11   10  11 1
            12   13  15 1
            13    9  10 1
            14   14  15 1
            15   11  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   10  19 2
            20   15  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   14  23 2
            25   12  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   27  32 1
            35   30  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   33  38 1
            42   30  39 1
            43   39  40 2
            44   39  41 1


entry: D01450
name: --- - Bupivacaine hydrochloride (JAN/USP) - Marcaine (TN)
formula: C18H28N2O. HCl. H2O
activity: Anesthetic [local]
remark: Therapeutic category: 1214
kcf:
ATOM        23
            1   C1y C    22.9876  -17.0670
            2   N1y N    22.9702  -18.4666
            3   C5a C    21.7746  -16.3556
            4   C1b C    21.7512  -19.1547
            5   N1b N    20.5615  -17.0496
            6   O5a O    21.7862  -14.9501
            7   C1b C    20.5498  -18.4549
            8   C8y C    19.4185  -16.3382
            9   C1b C    19.3369  -19.1487
            10  C8y C    18.1297  -17.0320
            11  C8y C    19.3602  -14.9325
            12  C1a C    19.3369  -20.5427
            13  C8x C    16.9225  -16.3206
            14  C1a C    18.1297  -18.4257
            15  C8x C    18.1471  -14.2270
            16  C8x C    16.9225  -14.9208
            17  C1a C    20.5679  -14.2445
            18  C1x C    24.1738  -19.1815
            19  C1x C    25.3947  -18.4968
            20  C1x C    25.4122  -17.0972
            21  C1x C    24.2086  -16.3822
            22  X   Cl   28.3695  -17.8451
            23  O0  O    31.5703  -17.8269
BOND        22
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 2
            11    9  12 1
            12   10  13 2
            13   10  14 1
            14   11  15 1
            15   13  16 1
            16   15  16 2
            17   11  17 1
            18    2  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22    1  21 1


entry: D01451
name: --- - Scopolamine butylbromide (JP15) - Buscopan (TN)
formula: C21H30NO4. Br
remark: Therapeutic category: 1242
kcf:
ATOM        27
            1   C1y C    12.0494  -11.2272
            2   C1y C    11.3803  -12.3445
            3   C1y C    12.9806  -10.8896
            4   O2x O    10.5027  -11.2305
            5   C1y C    12.7129  -11.8090
            6   N2y N    11.9798   -9.8306 #+
            7   C1x C    14.5471  -10.8842
            8   C1x C    14.4352  -11.8090
            9   C1b C    10.6588   -9.1614
            10  C1y C    15.7680  -12.4084
            11  O7a O    16.8153  -13.1999
            12  C7a C    17.9324  -13.1999
            13  C1c C    18.7182  -12.4142
            14  O7a O    18.4853  -14.2007
            15  C8y C    19.9924  -12.4200
            16  C1b C    18.1538  -11.4775
            17  C8x C    20.6443  -11.2738
            18  C8x C    20.6208  -13.5491
            19  O1a O    18.8172  -10.4183
            20  C8x C    21.9534  -11.3092
            21  C8x C    21.9768  -13.5374
            22  C8x C    22.6169  -12.3853
            23  C1b C     9.4190   -9.9708
            24  C1b C     8.0978   -9.3017
            25  C1a C     6.8580  -10.1111
            26  C1a C    12.8954   -8.7643
            27  X   Br    8.3824   -7.4128 #-
BOND        29
            1     3   7 1
            2     5   8 1
            3     6   9 1
            4     7  10 1
            5    10  11 1 #Down
            6    11  12 1
            7    12  13 1
            8    12  14 2
            9    13  15 1 #Down
            10   13  16 1
            11   15  17 2
            12   15  18 1
            13   16  19 1
            14   17  20 1
            15   18  21 2
            16   20  22 2
            17    2   4 1
            18    5   6 1
            19    8  10 1
            20   21  22 1
            21    9  23 1
            22   23  24 1
            23    1   2 1
            24   24  25 1
            25    1   3 1
            26    1   4 1
            27    2   5 1
            28    3   6 1
            29    6  26 1


entry: D01452
name: --- - Isopropyl unoprostone (JAN) - Rescula (TN)
formula: C25H44O5
remark: Therapeutic category: 1319
kcf:
ATOM        30
            1   C1y C     9.6567   -9.9567
            2   C1y C     9.6508  -11.3446
            3   C1y C     8.3388   -9.5368
            4   C1b C    11.0620   -8.7145
            5   C1y C     8.3562  -11.7703
            6   C1b C    10.8462  -12.0268
            7   C1x C     7.5339  -10.6622
            8   O1a O     7.8897   -8.1898
            9   C2b C    12.2518   -9.4143
            10  O1a O     7.9188  -13.1291
            11  C1b C    12.0360  -11.3446
            12  C2b C    13.6164   -9.4143
            13  C5a C    13.2255  -12.0268
            14  C1b C    14.8002   -8.7145
            15  C1b C    14.4153  -11.3446
            16  O5a O    13.2255  -13.4031
            17  C1b C    15.9781   -9.3969
            18  C1b C    15.6048  -12.0268
            19  C1b C    17.1678   -8.7088
            20  C1b C    16.8120  -11.3446
            21  C7a C    18.3516   -9.3852
            22  C1b C    17.9841  -12.0268
            23  O7a O    19.5645   -8.6678
            24  O7a O    18.3633  -10.7847
            25  C1b C    19.1913  -11.3446
            26  C1c C    20.7801   -9.3526
            27  C1b C    20.3932  -12.0532
            28  C1a C    21.6078  -11.3668
            29  C1a C    21.9838   -8.6405
            30  C1a C    20.7667  -10.7333
BOND        30
            1    15  18 1
            2    17  19 1
            3    18  20 1
            4    19  21 1
            5    20  22 1
            6    21  23 1
            7    21  24 2
            8    22  25 1
            9     5   7 1
            10    1   2 1
            11    1   3 1
            12    1   4 1 #Down
            13    2   5 1
            14    2   6 1 #Up
            15    3   7 1
            16    3   8 1 #Down
            17    4   9 1
            18    5  10 1 #Down
            19    6  11 1
            20    9  12 2
            21   11  13 1
            22   23  26 1
            23   12  14 1
            24   13  15 1
            25   13  16 2
            26   25  27 1
            27   14  17 1
            28   27  28 1
            29   26  29 1
            30   26  30 1


entry: D01453
name: --- - Caffeine (JP15) - Caffeine monohydrate - Caffeine (TN)
formula: C8H10N4O2. H2O
remark: Therapeutic category: 2115
comment: Component of Anacin (TN), Darvon compound-65 (TN), Salsocain (TN), Saridon (TN)
kcf:
ATOM        15
            1   O0  O    24.1379  -11.5446
            2   C8y C    16.6622  -10.8171
            3   C8y C    16.6622  -12.2416
            4   C8y C    17.8649  -10.1105
            5   N4y N    15.3601  -10.3850
            6   N4y N    17.8649  -12.9248
            7   N5x N    15.3601  -12.6737
            8   N4y N    19.0852  -10.8462
            9   O5x O    17.8649   -8.7325
            10  C8x C    14.5428  -11.5409
            11  C8y C    19.0852  -12.1892
            12  C1a C    17.8649  -14.3553
            13  C1a C    20.3055  -10.1632
            14  O5x O    20.3347  -12.8898
            15  C1a C    14.9204   -9.0467
BOND        15
            1     2   3 2
            2     2   4 1
            3     2   5 1
            4     3   6 1
            5     3   7 1
            6     4   8 1
            7     4   9 2
            8     5  10 1
            9     6  11 1
            10    6  12 1
            11    8  13 1
            12   11  14 2
            13    7  10 2
            14    8  11 1
            15    5  15 1


entry: D01454
name: --- - Bupranolol hydrochloride (JP15)
formula: C14H22ClNO2. HCl
remark: Therapeutic category: 2123
kcf:
ATOM        19
            1   X   Cl   29.0500  -15.1900
            2   C8x C    17.7100  -15.4700
            3   C8y C    17.7100  -16.9400
            4   C8y C    16.4500  -14.7700
            5   O2a O    18.9700  -17.6400
            6   C8y C    16.4500  -17.6400
            7   C8x C    15.2600  -15.4700
            8   C1b C    20.1600  -16.9400
            9   C8x C    15.2600  -16.9400
            10  C1c C    21.4200  -17.6400
            11  C1b C    22.6800  -16.9400
            12  O1a O    21.4200  -19.0400
            13  N1b N    23.8700  -17.6400
            14  C1d C    25.1300  -16.9400
            15  X   Cl   16.4500  -19.0400
            16  C1a C    16.4500  -13.3700
            17  C1a C    26.3307  -17.6599
            18  C1a C    25.1531  -15.5402
            19  C1a C    26.3538  -16.2601
BOND        18
            1     2   3 1
            2     2   4 2
            3     3   5 1
            4     3   6 2
            5     4   7 1
            6     5   8 1
            7     6   9 1
            8     8  10 1
            9    10  11 1
            10   10  12 1
            11   11  13 1
            12   13  14 1
            13    7   9 2
            14    6  15 1
            15    4  16 1
            16   14  17 1
            17   14  18 1
            18   14  19 1


entry: D01455
name: --- - Cibenzoline succinate (JAN) - Cifenline succinate (USAN) - Cipralan (TN) - Cibenol (TN)
formula: C18H18N2. C4H6O4
activity: Cardiac depressant [anti-arrhytmic]
remark: Therapeutic category: 2129
kcf:
ATOM        28
            1   O6a O    28.6206  -16.4110
            2   C6a C    29.8130  -17.1124
            3   C1b C    31.0755  -16.4110
            4   C1b C    32.2680  -17.1124
            5   C6a C    33.4604  -16.4110
            6   O6a O    34.7230  -17.1124
            7   O6a O    29.8130  -18.5153
            8   O6a O    33.4604  -15.0081
            9   C8x C    19.5021  -17.8163
            10  C8x C    19.5021  -19.2191
            11  C8x C    20.6946  -19.9206
            12  C8x C    21.9571  -19.2191
            13  C8y C    21.9571  -17.8163
            14  C8x C    20.6946  -17.1148
            15  C1z C    23.1496  -17.1120
            16  C1x C    22.4481  -15.9196
            17  C1y C    23.8510  -15.9196
            18  C2y C    25.0692  -15.2199
            19  N2x N    26.3859  -15.6250
            20  C1x C    27.1782  -14.4978
            21  C1x C    26.3510  -13.3960
            22  N1x N    25.0475  -13.8423
            23  C8x C    24.3420  -19.2191
            24  C8y C    24.3420  -17.8163
            25  C8x C    25.6046  -19.9206
            26  C8x C    26.7970  -19.2191
            27  C8x C    26.7970  -17.8163
            28  C8x C    25.6046  -17.1148
BOND        30
            1     2   7 2
            2     5   8 2
            3     3   4 1
            4     1   2 1
            5     4   5 1
            6     5   6 1
            7     2   3 1
            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   16  17 1
            15   17  15 1
            16   15  16 1
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   18  22 1
            23   13  15 1
            24   23  24 1
            25   23  25 2
            26   25  26 1
            27   26  27 2
            28   27  28 1
            29   24  28 2
            30   15  24 1


entry: D01456
name: --- - Tetragastrin (JAN)
formula: C37H42N6O8S
remark: Therapeutic category: 7221
kcf:
ATOM        52
            1   C1b C    26.7900  -21.2215
            2   C8y C    34.0667  -21.2002
            3   C8x C    34.0597  -22.6045
            4   C8x C    35.2723  -23.3127
            5   C8x C    36.4919  -22.6168
            6   C8x C    36.4991  -21.2124
            7   C8x C    35.2864  -20.5041
            8   C8y C    23.4351  -14.9517
            9   C8y C    24.8394  -14.9517
            10  C8x C    25.5417  -13.7356
            11  C8x C    24.8394  -12.5194
            12  C8x C    23.4351  -12.5194
            13  C8x C    22.7331  -13.7356
            14  C8y C    23.1498  -16.3210
            15  C8x C    24.3572  -17.0191
            16  N4x N    25.3942  -16.0864
            17  C8y C    15.8819  -19.1433
            18  C1b C    17.0946  -18.4413
            19  O7a O    18.3074  -19.1362
            20  C7a C    19.5201  -18.4341
            21  N1b N    20.7330  -19.1290
            22  C1c C    21.9458  -18.4270
            23  C5a C    23.1585  -19.1221
            24  N1b N    24.3715  -18.4200
            25  C1c C    25.5842  -19.1150
            26  C5a C    26.7970  -18.4129
            27  N1b N    28.0098  -19.1079
            28  C1c C    29.2226  -18.4057
            29  C5a C    30.4354  -19.1009
            30  N1b N    31.6481  -18.3987
            31  C1c C    32.8610  -19.0937
            32  C5a C    34.0737  -18.3916
            33  O7a O    19.5131  -17.0298
            34  C1b C    21.9388  -17.0227
            35  O5a O    23.1515  -20.5264
            36  C1b C    25.5772  -20.5192
            37  C1b C    29.2156  -17.0014
            38  O5a O    26.7900  -17.0085
            39  O5a O    30.4284  -20.5051
            40  C1b C    32.8540  -20.4979
            41  N1a N    35.2866  -19.0937
            42  C6a C    30.4284  -16.2992
            43  O6a O    31.6411  -16.9944
            44  O6a O    30.4213  -14.8948
            45  S2a S    26.7856  -22.6258
            46  C1a C    27.9996  -23.3316
            47  C8x C    14.6472  -18.4327
            48  C8x C    13.4365  -19.1337
            49  C8x C    13.4383  -20.5327
            50  C8x C    14.6730  -21.2435
            51  C8x C    15.8837  -20.5424
            52  O5a O    34.0738  -16.9860
BOND        55
            1    26  27 1
            2     2   3 2
            3    27  28 1
            4    14  15 2
            5    28  29 1
            6    15  16 1
            7    29  30 1
            8    16   9 1
            9    30  31 1
            10    8  14 1
            11   31  32 1
            12    3   4 1
            13    4   5 2
            14   20  33 2
            15    5   6 1
            16   22  34 1 #Up
            17   17  18 1
            18   23  35 2
            19    6   7 2
            20   25  36 1 #Down
            21   18  19 1
            22   28  37 1 #Up
            23    8   9 2
            24   26  38 2
            25   19  20 1
            26   29  39 2
            27    9  10 1
            28   31  40 1 #Down
            29   20  21 1
            30   10  11 2
            31   32  41 1
            32   34  14 1
            33   36   1 1
            34   21  22 1
            35   37  42 1
            36   11  12 1
            37   42  43 2
            38   40   2 1
            39   22  23 1
            40   42  44 1
            41   12  13 2
            42    1  45 1
            43   23  24 1
            44   45  46 1
            45   13   8 1
            46   24  25 1
            47    7   2 1
            48   25  26 1
            49   17  47 2
            50   47  48 1
            51   48  49 2
            52   49  50 1
            53   50  51 2
            54   17  51 1
            55   32  52 2


entry: D01457
name: --- - Cycotiamine hydrochloride (JAN)
formula: C13H16N4O3S. HCl
remark: Therapeutic category: 3122
kcf:
ATOM        22
            1   N5x N    17.7184  -15.0322
            2   C8y C    17.7184  -16.4367
            3   N5x N    18.9374  -17.1389
            4   C8x C    20.1495  -16.4367
            5   C8y C    20.1495  -15.0322
            6   C8y C    18.9374  -14.3299
            7   C1b C    21.3570  -14.3299
            8   N1c N    22.5697  -15.0251
            9   C2c C    23.7827  -14.3228
            10  C2y C    24.9956  -15.0181
            11  C1a C    16.5025  -17.1396
            12  C1a C    23.7796  -12.9185
            13  C1x C    25.0002  -16.4161
            14  C1x C    26.2132  -17.1111
            15  O7x O    27.4213  -16.4082
            16  C7x C    27.4169  -15.0103
            17  S2x S    26.2041  -14.3151
            18  O7x O    28.6311  -14.3041
            19  C4a C    22.5701  -16.4271
            20  O4a O    23.7726  -17.1205
            21  N1a N    18.9396  -12.9503
            22  X   Cl   30.6621  -15.7564
BOND        22
            1     3   4 2
            2     2  11 1
            3     4   5 1
            4     5   6 2
            5     6   1 1
            6     9  12 1
            7     5   7 1
            8     7   8 1
            9     1   2 2
            10    8   9 1
            11   13  14 1
            12   14  15 1
            13   15  16 1
            14   16  17 1
            15   17  10 1
            16    2   3 1
            17   16  18 2
            18    9  10 2
            19    8  19 1
            20   10  13 1
            21   19  20 2
            22    6  21 1


entry: D01459
name: --- - Mesna (JAN/USAN) - Mesnex (TN) - Uromitexan (TN)
formula: C2H5O3S2. Na
activity: Detoxifying agent
remark: Therapeutic category: 3929
kcf:
ATOM        8
            1   Z   Na   22.3410  -20.8260 #+
            2   S4a S    25.5574  -18.6269
            3   O3c O    24.1639  -18.6269
            4   C1b C    26.9509  -18.6269
            5   C1b C    27.6476  -19.8338
            6   S1a S    29.0411  -19.8338
            7   O3c O    25.5606  -17.2158
            8   O0  O    25.5658  -20.0417 #-
BOND        6
            1     2   3 2
            2     2   4 1
            3     4   5 1
            4     5   6 1
            5     2   7 2
            6     2   8 1


entry: D01460
formula: C19H23ClN2. 2HCl
remark: Therapeutic category: 4419
name:
--- 
- Homochlorcyclizine hydrochloride (JP15)
- Homochlorcyclizine dihydrochloride
- Homoclomin (TN)
- SA 97 dihydrochloride

kcf:
ATOM        24
            1   C1x C     8.8708  -12.2331
            2   C1x C     8.0261  -11.1201
            3   C1x C     8.3623   -9.7592
            4   N1y N     9.6272   -9.1793
            5   N1y N    10.2809  -12.2584
            6   C1x C    10.8846   -9.8035
            7   C1x C    11.1720  -11.1764
            8   C1a C     9.6489   -7.8002
            9   C8y C    10.2374  -14.6829
            10  C1c C    10.9590  -13.4832
            11  C8y C    12.3900  -13.5082
            12  C8x C    13.0694  -14.8041
            13  C8x C    14.4692  -14.7586
            14  C8y C    15.1903  -13.5586
            15  C8x C    14.5109  -12.3327
            16  C8x C    13.1111  -12.3082
            17  C8x C     8.8207  -14.7273
            18  C8x C     8.0989  -15.8568
            19  C8x C     8.7768  -17.0817
            20  C8x C    10.1936  -17.1073
            21  C8x C    10.9154  -15.9078
            22  X   Cl   16.5900  -13.5831
            23  X   Cl   19.9500  -13.5100
            24  X   Cl   19.9500  -13.5100
BOND        24
            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     4   8 1
            9     9  10 1
            10    5  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18    9  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23    9  21 1
            24   14  22 1


entry: D01461
name: --- - Bolandiol dipropionate (JAN/USAN)
formula: C24H36O4
activity: Anabolic
remark: Therapeutic category: 2449
kcf:
ATOM        28
            1   C1x C    22.1865  -17.5205
            2   C1y C    22.1865  -18.8916
            3   C2x C    23.3802  -19.5702
            4   C1x C    23.3802  -16.8277
            5   C1y C    24.5598  -17.5205
            6   C2y C    24.5538  -18.8916
            7   C1x C    25.7487  -19.5753
            8   C1x C    26.9353  -18.9020
            9   C1y C    25.7605  -16.8329
            10  C1y C    26.9355  -17.5337
            11  C1x C    26.9585  -14.7987
            12  C1x C    25.7721  -15.4653
            13  C1z C    28.1403  -15.4851
            14  C1y C    28.1700  -16.8486
            15  C1x C    30.5542  -16.8777
            16  C1x C    30.5012  -15.5143
            17  C1y C    29.3255  -14.8252
            18  O7a O    21.0061  -19.5702
            19  C7a C    19.8257  -18.8916
            20  C1b C    18.6381  -19.5702
            21  C1a C    17.4578  -18.8916
            22  O7a O    19.8257  -17.5205
            23  O7a O    29.3425  -13.4540
            24  C7a C    30.5199  -12.7563
            25  C1b C    31.7074  -13.4490
            26  C1a C    32.8877  -12.7563
            27  O7a O    30.5171  -11.3852
            28  C1a C    28.1530  -14.0639
BOND        31
            1     7   8 1
            2    15  16 1
            3    16  17 1
            4    17  13 1
            5    14  15 1
            6     8  10 1
            7     2  18 1 #Up
            8     9   5 1
            9    18  19 1
            10    5   4 1
            11   19  20 1
            12    4   1 1
            13   20  21 1
            14   19  22 2
            15    1   2 1
            16   17  23 1 #Up
            17    9  10 1
            18   23  24 1
            19   10  14 1
            20   24  25 1
            21   13  11 1
            22   25  26 1
            23   11  12 1
            24   24  27 2
            25   12   9 1
            26    2   3 1
            27    3   6 2
            28    5   6 1
            29    6   7 1
            30   13  28 1 #Up
            31   13  14 1


entry: D01462
name: --- - Lisuride maleate (JAN) - Eunal (TN)
formula: C20H26N4O. C4H4O4
remark: Therapeutic category: 1169 2190
kcf:
ATOM        33
            1   C8x C    13.4138  -17.5635
            2   C8x C    13.4138  -18.9301
            3   C8x C    14.6001  -16.8802
            4   C8y C    15.7794  -17.5635
            5   C1x C    18.1406  -18.9402
            6   C2y C    16.9660  -16.8853
            7   C1y C    18.1407  -17.5764
            8   N1y N    19.3265  -16.9045
            9   C1y C    18.1631  -14.8506
            10  C2x C    16.9770  -15.5222
            11  C8y C    15.7736  -18.9301
            12  C8y C    14.5968  -19.6075
            13  N4x N    14.5951  -21.0121
            14  C8x C    16.9473  -20.9684
            15  C8y C    16.9489  -19.6105
            16  N1b N    18.1742  -13.4840
            17  C5a C    19.3633  -12.8105
            18  N1c N    20.5410  -13.5033
            19  C1b C    21.7303  -12.8298
            20  C1a C    20.5045  -17.5976
            21  C1b C    20.5299  -14.8700
            22  C1x C    19.3408  -15.5435
            23  C1a C    21.7077  -15.5628
            24  C1a C    22.9081  -13.5229
            25  O5a O    19.3595  -11.4300
            26  C6a C    29.4865  -19.0284
            27  C2b C    28.8055  -17.8537
            28  O6a O    28.8117  -20.2093
            29  O6a O    30.8487  -19.0220
            30  C2b C    27.1747  -17.8598
            31  C6a C    26.4999  -19.0407
            32  O6a O    25.1376  -19.0407
            33  O6a O    27.1872  -20.2155
BOND        35
            1    10   6 2
            2     4  11 1
            3    15   5 1
            4     5   7 1
            5     6   4 1
            6    11  12 2
            7    12  13 1
            8    14  15 2
            9    15  11 1
            10   13  14 1
            11    1   2 2
            12    9  16 1 #Down
            13    2  12 1
            14   19  24 1
            15   16  17 1
            16    4   3 2
            17    3   1 1
            18   17  18 1
            19   18  19 1
            20    6   7 1
            21    8  20 1
            22    7   8 1
            23   18  21 1
            24    8  22 1
            25   22   9 1
            26   21  23 1
            27    9  10 1
            28   17  25 2
            29   26  27 1
            30   26  28 1
            31   26  29 2
            32   27  30 2
            33   30  31 1
            34   31  32 1
            35   31  33 2


entry: D01463
name: --- - Diponium bromide (JAN) - Dipenine bromide
formula: C20H38NO2. Br
kcf:
ATOM        24
            1   C1y C    12.8800  -20.2300
            2   C1y C    15.3049  -20.2300
            3   C1c C    14.0924  -19.5300
            4   C7a C    14.0924  -18.1302
            5   O7a O    12.8632  -17.4203
            6   O7a O    15.2880  -17.4398
            7   C1x C    15.7437  -21.5675
            8   C1x C    17.1461  -21.5623
            9   C1x C    17.5746  -20.2269
            10  C1x C    16.4370  -19.4068
            11  C1x C    11.7337  -19.4263
            12  C1x C    10.6150  -20.2681
            13  C1x C    11.0700  -21.5921
            14  C1x C    12.4699  -21.5685
            15  C1b C    16.4752  -18.1252
            16  C1b C    17.6666  -17.4372
            17  N1d N    18.8559  -18.1239 #+
            18  C1b C    20.0462  -17.4365
            19  C1a C    21.2361  -18.1236
            20  C1b C    18.8561  -19.5298
            21  C1a C    20.0490  -20.2185
            22  C1b C    18.8559  -16.7239
            23  C1a C    20.0462  -16.0365
            24  X   Br   17.1500  -15.9600 #-
BOND        24
            1     2   3 1
            2     1   3 1
            3     3   4 1
            4     4   5 2
            5     4   6 1
            6     2   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    2  10 1
            11    1  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    1  14 1
            16    6  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   17  20 1
            22   20  21 1
            23   17  22 1
            24   22  23 1


entry: D01464
name: --- - Flumetasone pivalate (JAN/USP) - Locorten (TN)
formula: C27H36F2O6
activity: Glucocorticoid
remark: Therapeutic category: 2646
kcf:
ATOM        35
            1   C2x C     5.0400  -17.2200
            2   C5x C     5.0400  -18.6200
            3   C2x C     6.2524  -19.3200
            4   C2y C     7.4649  -18.6200
            5   C1z C     7.4649  -17.2200
            6   C2x C     6.2524  -16.5200
            7   C1y C     8.6773  -19.3200
            8   C1x C     9.8897  -18.6200
            9   C1y C     9.8897  -17.2200
            10  C1z C     8.6773  -16.5200
            11  C1y C    11.1022  -16.5200
            12  C1z C    11.1022  -15.1200
            13  C1x C     9.8897  -14.4200
            14  C1y C     8.6773  -15.1200
            15  C1x C    12.4337  -16.9526
            16  C1y C    13.2566  -15.8200
            17  C1z C    12.4337  -14.6874
            18  O5x O     3.8276  -19.3200
            19  C1a C     7.4649  -15.8200
            20  O1a O     7.4669  -14.4212
            21  C1a C    11.1022  -13.7200
            22  C5a C    12.4337  -12.8674
            23  X   F     8.6773  -17.9200
            24  X   F     8.6773  -20.7200
            25  O1a O    13.7860  -14.3250
            26  C1a C    14.6300  -15.8200
            27  C1b C    13.6601  -12.1590
            28  O5a O    11.2464  -12.1820
            29  O7a O    14.8740  -12.8595
            30  C7a C    16.0519  -12.1791
            31  C1d C    17.2483  -12.8697
            32  O7a O    16.0517  -10.7802
            33  C1a C    18.4608  -13.5697
            34  C1a C    17.9364  -11.6772
            35  C1a C    16.5372  -14.1022
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    2  18 2
            22    5  19 1 #Up
            23   14  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26   10  23 1 #Down
            27    7  24 1 #Down
            28   17  25 1 #Down
            29   16  26 1 #Down
            30   22  27 1
            31   22  28 2
            32   27  29 1
            33   29  30 1
            34   30  31 1
            35   30  32 2
            36   31  33 1
            37   31  34 1
            38   31  35 1


entry: D01465
name: --- - Nizofenone fumarate (JAN) - Ekonal (TN)
formula: C21H21ClN4O3. C4H4O4
remark: Therapeutic category: 2190
kcf:
ATOM        37
            1   C6a C    28.8447  -18.6855
            2   C2b C    30.0564  -19.3880
            3   O6a O    27.6330  -19.3880
            4   O6a O    28.8447  -17.2866
            5   C2b C    31.2739  -18.6855
            6   C6a C    32.4856  -19.3880
            7   O6a O    33.6973  -18.6855
            8   O6a O    32.4856  -20.7869
            9   C1b C    24.8579  -15.2295
            10  N1c N    26.0706  -14.5292
            11  C8y C    23.6450  -14.5292
            12  N4y N    22.5078  -15.3466
            13  C8y C    22.5709  -16.7471
            14  N5x N    23.2189  -13.1949
            15  C8x C    21.8184  -13.1880
            16  C8x C    21.3789  -14.5177
            17  C1b C    26.0706  -13.1287
            18  C1b C    27.2836  -15.2295
            19  C1a C    27.2836  -12.4285
            20  C1a C    28.4965  -14.5292
            21  C8x C    16.5046  -17.4241
            22  C8x C    16.5046  -18.8246
            23  C8x C    17.7204  -19.5248
            24  C8y C    17.7204  -16.7238
            25  C8y C    18.9291  -17.4241
            26  C8x C    18.9231  -18.8246
            27  C5a C    20.1450  -16.7291
            28  C8y C    21.3549  -17.4344
            29  C8x C    21.3422  -18.8313
            30  C8y C    22.5456  -19.5406
            31  C8x C    23.8315  -18.8532
            32  C8x C    23.7743  -17.4563
            33  O5a O    20.1510  -15.3286
            34  N2b N    22.5328  -20.9411 #+
            35  O0  O    21.3143  -21.6327 #-
            36  O3a O    23.7400  -21.6512
            37  X   Cl   17.7070  -15.3164
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    17  19 1
            9     9  10 1
            10   18  20 1
            11    9  11 1
            12   12  13 1
            13   12  11 1
            14   11  14 2
            15   14  15 1
            16   15  16 2
            17   16  12 1
            18   28  27 1
            19   27  25 1
            20   25  24 2
            21   24  21 1
            22   21  22 2
            23   22  23 1
            24   23  26 2
            25   28  29 2
            26   29  30 1
            27   30  31 2
            28   31  32 1
            29   32  13 2
            30   13  28 1
            31   25  26 1
            32   27  33 2
            33   30  34 1
            34   10  17 1
            35   34  35 1
            36   34  36 2
            37   10  18 1
            38   24  37 1


entry: D01466
name: --- - Ethenzamide (JP15) - Ethenzamide (TN)
formula: C9H11NO2
remark: Therapeutic category: 1143
kcf:
ATOM        12
            1   C8y C    21.2101  -17.0398
            2   C8y C    21.2101  -15.6356
            3   C8x C    20.0098  -17.7331
            4   C5a C    22.4276  -17.7331
            5   C8x C    20.0098  -14.9307
            6   O2a O    22.4276  -14.9307
            7   C8x C    18.7921  -17.0398
            8   O5a O    22.4276  -19.1371
            9   C8x C    18.7921  -15.6356
            10  C1b C    23.6395  -15.6356
            11  N1a N    23.6351  -17.0295
            12  C1a C    24.8489  -14.9425
BOND        12
            1     1   3 2
            2     1   4 1
            3     2   5 2
            4     2   6 1
            5     3   7 1
            6     4  11 1
            7     4   8 2
            8     5   9 1
            9     6  10 1
            10    7   9 2
            11    1   2 1
            12   10  12 1


entry: D01467
name: --- - Roxatidine acetate hydrochloride (JP15/USAN) - Altat (TN)
formula: C19H28N2O4. HCl
activity: Antiulcerative
remark: Therapeutic category: 2325
kcf:
ATOM        26
            1   N1b N    28.6094  -19.6791
            2   C8x C    20.1194  -17.5845
            3   C8y C    20.1174  -18.9907
            4   C8x C    21.3334  -19.6961
            5   C8y C    22.5522  -18.9899
            6   C8x C    22.5473  -17.5784
            7   C8x C    21.3303  -16.8865
            8   O2a O    23.7682  -19.6933
            9   C1b C    24.9732  -18.9885
            10  C1b C    26.1854  -19.6862
            11  C1b C    27.3975  -18.9814
            12  C1b C    18.9015  -19.6944
            13  N1y N    17.6867  -18.9889
            14  C1x C    17.6985  -17.5853
            15  C1x C    16.4907  -16.8870
            16  C1x C    15.2706  -17.5777
            17  C1x C    15.2662  -18.9816
            18  C1x C    16.4817  -19.6948
            19  C5a C    29.8075  -18.9743
            20  C1b C    31.0125  -19.6719
            21  O7a O    32.2175  -18.9743
            22  C7a C    33.4225  -19.6719
            23  O7a O    34.6275  -18.9743
            24  O5a O    29.8004  -17.5790
            25  C1a C    33.4225  -21.0672
            26  X   Cl   31.3345  -22.7548
BOND        26
            1     6   7 2
            2     7   2 1
            3    13  18 1
            4    14  15 1
            5    15  16 1
            6    16  17 1
            7    17  18 1
            8     8   9 1
            9     9  10 1
            10    2   3 2
            11   10  11 1
            12   11   1 1
            13    8   5 1
            14    1  19 1
            15   19  20 1
            16    3   4 1
            17   20  21 1
            18    3  12 1
            19   21  22 1
            20    4   5 2
            21   22  23 2
            22   12  13 1
            23   19  24 2
            24   13  14 1
            25   22  25 1
            26    5   6 1


entry: D01469
name: --- - Amosulalol hydrochloride (JAN) - Lowgan (TN)
formula: C18H24N2O5S. HCl
remark: Therapeutic category: 2149
kcf:
ATOM        27
            1   C8y C     8.8900  -28.7000
            2   C8x C     8.8900  -30.1000
            3   C8x C    10.1024  -30.8000
            4   C8y C    11.3149  -30.1000
            5   C8x C    11.3149  -28.7000
            6   C8y C    10.1024  -28.0000
            7   C1a C     7.6776  -28.0000
            8   S4a S    10.1024  -26.6002
            9   N1a N    10.1024  -25.2002
            10  O3c O     8.6800  -26.6002
            11  O3c O    11.4800  -26.6002
            12  C1c C    12.5460  -30.8110
            13  C1b C    13.7512  -30.1153
            14  O1a O    12.5457  -32.1999
            15  N1b N    14.9335  -30.7981
            16  C1b C    16.1275  -30.1088
            17  C1b C    17.3154  -30.7948
            18  O2a O    18.5065  -30.1071
            19  C8y C    19.6959  -30.7939
            20  C8y C    19.6959  -32.1998
            21  C8x C    20.9084  -32.8998
            22  C8x C    22.1208  -32.1998
            23  C8x C    22.1208  -30.7939
            24  C8x C    20.9084  -30.0939
            25  O2a O    18.4641  -32.9112
            26  C1a C    17.2588  -32.2154
            27  X   Cl   24.6400  -31.5000
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     6   8 1
            9     8   9 1
            10    8  10 2
            11    8  11 2
            12    4  12 1
            13   12  13 1
            14   12  14 1
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   20  25 1
            27   25  26 1


entry: D01470
name: --- - Phenylpropanol (JAN)
formula: C9H12O
remark: Therapeutic category: 1180
kcf:
ATOM        10
            1   C8x C    22.1982  -19.5313
            2   C8x C    22.1982  -20.9330
            3   C8x C    23.4150  -21.6338
            4   C8x C    24.6247  -20.9330
            5   C8y C    24.6247  -19.5313
            6   C8x C    23.4150  -18.8305
            7   C1c C    25.8297  -18.8305
            8   O1a O    27.0402  -19.5242
            9   C1b C    25.8253  -17.4289
            10  C1a C    27.0385  -16.7233
BOND        10
            1     6   1 1
            2     5   7 1
            3     1   2 2
            4     7   8 1
            5     2   3 1
            6     3   4 2
            7     4   5 1
            8     7   9 1
            9     5   6 2
            10    9  10 1


entry: D01471
name: --- - Esatenolol (JAN)
formula: C14H22N2O3
kcf:
ATOM        19
            1   C8y C    24.1049  -18.3775
            2   C8x C    22.8991  -19.0882
            3   C8x C    24.0873  -16.9797
            4   O2a O    25.3280  -19.0532
            5   C8x C    21.6058  -18.4068
            6   C8x C    22.8641  -16.2865
            7   C1b C    26.5338  -18.3427
            8   C8y C    21.6643  -17.0030
            9   C1c C    27.7571  -19.0242
            10  C1b C    20.4526  -16.2981
            11  C1b C    28.9627  -18.3135
            12  O1a O    27.7745  -20.4222
            13  C5a C    19.2411  -17.0030
            14  N1b N    30.1744  -18.9951
            15  N1a N    18.0295  -16.2981
            16  O5a O    19.2411  -18.4068
            17  C1c C    31.3801  -18.2786
            18  C1a C    32.6033  -18.9602
            19  C1a C    31.3626  -16.8806
BOND        19
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11    9  12 1 #Down
            12   10  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18   17  19 1
            19    6   8 2


entry: D01473
name: --- - Flomoxef sodium (JP15) - Flumarin (TN) - FMOX - S 6315
formula: C16H18F2N5O7S2. Na
remark: Therapeutic category: 6133 7290
comment: semisynthetic cephalosporin: broad spectrum cephalosporin
kcf:
ATOM        33
            1   C1z C    28.5757  -14.7448
            2   C1y C    29.9570  -14.7448
            3   C5x C    28.5757  -16.1259
            4   N1y N    29.9453  -16.1202
            5   O2x O    31.1517  -14.0688
            6   C2y C    31.1400  -16.8136
            7   C1x C    32.3347  -14.7623
            8   C2y C    32.3288  -16.1319
            9   C6a C    31.1284  -18.1949
            10  C1b C    33.5177  -16.8312
            11  O6a O    29.9278  -18.8766
            12  O0  O    32.3171  -18.8883 #-
            13  S2a S    34.7239  -16.1493
            14  C8y C    35.9129  -16.8429
            15  N4y N    37.0089  -16.0034
            16  N5x N    36.3744  -18.1441
            17  N5x N    38.1499  -16.7923
            18  C1b C    37.0479  -14.6250
            19  N5x N    37.7528  -18.1132
            20  C1b C    38.2394  -13.9010
            21  C1b C    27.3633  -14.0448
            22  C5a C    26.1508  -14.7448
            23  O5a O    26.1508  -16.1259
            24  O5x O    27.3633  -16.8259
            25  C1b C    24.9711  -14.0639
            26  S2a S    23.7704  -14.7575
            27  C1c C    22.5855  -14.0736
            28  O2a O    28.5057  -13.3448
            29  C1a C    27.3628  -12.6443
            30  O1a O    39.4641  -14.5720
            31  X   F    21.3932  -14.7624
            32  X   F    22.5851  -12.6702
            33  Z   Na   33.8100  -18.9000 #+
BOND        34
            1     2   4 1
            2     2   5 1
            3     4   6 1
            4     5   7 1
            5     6   8 2
            6     6   9 1
            7     8  10 1
            8     9  11 2
            9     9  12 1
            10   10  13 1
            11   13  14 1
            12   14  15 1
            13   14  16 2
            14   15  17 1
            15   15  18 1
            16   16  19 1
            17    3   4 1
            18    7   8 1
            19   17  19 2
            20   18  20 1
            21    1   2 1
            22    1   3 1
            23    1  21 1 #Up
            24   21  22 1
            25   22  23 2
            26    3  24 2
            27   22  25 1
            28   25  26 1
            29   26  27 1
            30    1  28 1 #Down
            31   28  29 1
            32   20  30 1
            33   27  31 1
            34   27  32 1


entry: D01474
name: --- - Iodixanol (JAN/USP) - Visipaque (TN)
formula: C35H44I6N6O15
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7219
kcf:
ATOM        62
            1   C8y C    31.1245  -17.3111
            2   C8y C    31.1245  -18.7124
            3   C8y C    32.3410  -19.4131
            4   C8y C    33.5504  -18.7124
            5   C8y C    33.5504  -17.3111
            6   C8y C    32.3410  -16.6104
            7   C5a C    32.3427  -15.2091
            8   N1b N    33.5572  -14.5099
            9   O5a O    31.1299  -14.5069
            10  C1b C    34.7698  -15.2121
            11  C1c C    35.9843  -14.5130
            12  C1b C    37.1971  -15.2152
            13  O1a O    38.4116  -14.5160
            14  O1a O    35.9862  -13.1116
            15  X   I    29.9112  -16.6097
            16  X   I    34.7644  -16.6113
            17  X   I    32.3427  -20.8144
            18  N1c N    29.9081  -19.4382
            19  C5a C    22.6395  -15.2232
            20  N1b N    23.8540  -14.5240
            21  O5a O    21.4269  -14.5210
            22  C1b C    25.0591  -15.2232
            23  C1c C    26.2694  -14.5225
            24  C1b C    27.4796  -15.2232
            25  O1a O    28.6899  -14.5225
            26  O1a O    26.2694  -13.1211
            27  C8y C    22.6385  -16.6174
            28  C8y C    23.8558  -17.3180
            29  C8y C    23.8558  -18.7194
            30  C8y C    22.6393  -19.4201
            31  C8y C    21.4299  -18.7194
            32  C8y C    21.4299  -17.3180
            33  X   I    22.6376  -20.8214
            34  X   I    20.2158  -16.6184
            35  X   I    25.0692  -16.6169
            36  C5a C    20.2158  -19.4192
            37  N1b N    19.0077  -18.7124
            38  C1b C    17.7975  -19.4131
            39  C1c C    16.5872  -18.7124
            40  C1b C    15.3770  -19.4131
            41  O1a O    14.1667  -18.7124
            42  O5a O    20.2112  -20.8206
            43  O1a O    16.5872  -17.3111
            44  N1c N    25.0661  -19.4201
            45  C1b C    26.2763  -18.7265
            46  C1c C    27.4866  -19.4272
            47  C1b C    28.6969  -18.7337
            48  O1a O    27.4835  -20.8285
            49  C5a C    25.0590  -21.5844
            50  O5a O    23.8419  -22.2790
            51  C1a C    26.2690  -22.2912
            52  C5a C    34.7552  -19.4060
            53  N1b N    35.9655  -18.7053
            54  C1b C    37.1757  -19.3990
            55  C1c C    38.3860  -18.6983
            56  C1b C    39.5962  -19.3919
            57  O1a O    40.8065  -18.6912
            58  O5a O    34.8181  -20.8073
            59  O1a O    38.3829  -17.2970
            60  C5a C    29.9161  -21.6096
            61  O5a O    28.7064  -22.3170
            62  C1a C    31.1337  -22.3035
BOND        63
            1    11  12 1
            2     6   1 1
            3    12  13 1
            4    11  14 1
            5    23  24 1
            6    24  25 1
            7    23  26 1
            8    27  19 1
            9    19  20 1
            10   19  21 2
            11   20  22 1
            12   22  23 1
            13   29  30 1
            14   39  43 1
            15   28  35 1
            16   29  44 1
            17   30  31 2
            18   44  45 1
            19   31  36 1
            20   45  46 1
            21   31  32 1
            22   46  47 1
            23   36  37 1
            24   32  27 2
            25   37  38 1
            26   46  48 1
            27   27  28 1
            28   38  39 1
            29   39  40 1
            30   30  33 1
            31   40  41 1
            32   28  29 2
            33   36  42 2
            34   32  34 1
            35    6   7 1
            36   44  49 1
            37    1  15 1
            38   49  50 2
            39    1   2 2
            40   49  51 1
            41   47  18 1
            42    5  16 1
            43    4  52 1
            44    7   8 1
            45   52  53 1
            46    3  17 1
            47   53  54 1
            48    2   3 1
            49   54  55 1
            50    2  18 1
            51   55  56 1
            52    7   9 2
            53   56  57 1
            54    3   4 2
            55   52  58 2
            56    8  10 1
            57   55  59 1
            58    4   5 1
            59   18  60 1
            60   10  11 1
            61   60  61 2
            62    5   6 2
            63   60  62 1


entry: D01475
name: --- - Flurbiprofen axetil (JAN) - Ropion (TN) - FP 83
formula: C19H19FO4
remark: Therapeutic category: 1149
kcf:
ATOM        24
            1   C8x C    10.3600  -10.3600
            2   C8y C    10.3600   -8.9600
            3   C8x C     9.1000   -8.2600
            4   C8x C     7.9100   -8.9600
            5   C8x C     7.9100  -10.3600
            6   C8x C     9.1000  -11.0600
            7   C8y C    11.5500   -8.2600
            8   C8y C    12.7400   -8.9600
            9   C8x C    14.0000   -8.2600
            10  C8y C    14.0000   -6.8600
            11  C8x C    12.7400   -6.1600
            12  C8x C    11.5500   -6.8600
            13  X   F    12.7400  -10.3600
            14  C1c C    15.1900   -6.1600
            15  C7a C    16.3800   -6.8600
            16  C1a C    15.1900   -4.8300
            17  O7a O    16.3800   -8.2600
            18  O7a O    17.6400   -6.1600
            19  C1c C    18.8407   -6.8799
            20  O7a O    20.0646   -6.2000
            21  C7a C    21.2974   -6.9387
            22  C1a C    18.8178   -8.2599
            23  C1a C    22.5113   -6.2637
            24  O7a O    21.2747   -8.3300
BOND        25
            1     4   5 2
            2     5   6 1
            3     7   8 2
            4     8   9 1
            5     9  10 2
            6    10  11 1
            7    11  12 2
            8    12   7 1
            9     6   1 2
            10    8  13 1
            11   10  14 1
            12    2   7 1
            13   14  15 1
            14    1   2 1
            15   14  16 1
            16    2   3 2
            17   15  17 2
            18    3   4 1
            19   15  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   19  22 1
            24   21  23 1
            25   21  24 2


entry: D01476
name: --- - Nandrolone cyclohexylpropionate (JAN) - Sanabolicum (TN)
formula: C27H40O3
remark: Therapeutic category: 2449
kcf:
ATOM        30
            1   C1y C    24.4843  -18.4103
            2   C1y C    23.3029  -19.1003
            3   C1z C    24.5018  -17.0184
            4   C1x C    26.8937  -18.4337
            5   C1y C    22.1392  -18.3926
            6   C1x C    23.3029  -20.4921
            7   C1y C    25.7182  -16.3401
            8   C1x C    23.3263  -16.3226
            9   C1a C    24.4843  -15.6266
            10  C1x C    26.9111  -17.0418
            11  C1y C    20.9521  -19.0886
            12  C1x C    22.1451  -17.0067
            13  C1x C    22.1275  -21.1822
            14  O7a O    25.7065  -14.9659
            15  C2y C    20.9463  -20.4804
            16  C1x C    19.7709  -18.3869
            17  C7a C    26.8877  -14.2699
            18  C2x C    19.7709  -21.1763
            19  C1x C    18.5837  -19.0886
            20  C1b C    28.0574  -14.9425
            21  O7a O    26.8820  -12.8781
            22  C5x C    18.5837  -20.4804
            23  C1b C    29.2445  -14.2641
            24  O5x O    17.3966  -21.1705
            25  C1y C    30.4199  -14.9542
            26  C1x C    30.4840  -16.3167
            27  C1x C    31.6071  -14.2758
            28  C1x C    31.5954  -16.9893
            29  C1x C    32.7708  -14.9716
            30  C1x C    32.7766  -16.3284
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1 #Up
            14   11  15 1
            15   11  16 1
            16   14  17 1
            17   15  18 2
            18   16  19 1
            19   17  20 1
            20   17  21 2
            21   18  22 1
            22   20  23 1
            23   22  24 2
            24   23  25 1
            25   25  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30    7  10 1
            31    8  12 1
            32   13  15 1
            33   19  22 1
            34   29  30 1


entry: D01477
name: --- - Opipramol hydrochloride (JAN/USAN) - Insidon (TN)
formula: C23H29N3O. 2HCl
activity: Antidepressant ; Antipsychotic
remark: Therapeutic category: 1179
kcf:
ATOM        29
            1   N1y N    27.5817  -16.5301
            2   C8y C    26.8204  -15.5288
            3   C8y C    29.0398  -16.5243
            4   C1b C    27.5875  -17.9882
            5   C8y C    26.8264  -14.1701
            6   C8x C    25.6434  -16.2256
            7   C8y C    29.9418  -15.6986
            8   C8x C    29.3034  -17.7248
            9   C1b C    26.3227  -18.7203
            10  C2x C    28.4191  -13.1980
            11  C8x C    25.6434  -13.4792
            12  C8x C    24.4489  -15.5404
            13  C2x C    29.9358  -14.0999
            14  C8x C    31.1129  -16.0675
            15  C8x C    30.4745  -18.0936
            16  C1b C    25.0519  -17.9941
            17  C8x C    24.4546  -14.1643
            18  C8x C    31.3764  -17.2563
            19  N1y N    23.7930  -18.7261
            20  C1x C    22.5340  -17.9941
            21  C1x C    21.2485  -18.6911
            22  N1y N    21.3143  -20.0921
            23  C1b C    20.0989  -20.7891
            24  C1x C    22.5255  -20.7962
            25  C1x C    23.8109  -20.0994
            26  C1b C    18.8877  -20.0848
            27  O1a O    17.6723  -20.7818
            28  X   Cl   31.0385  -20.8933
            29  X   Cl   31.0385  -20.8933
BOND        30
            1     3   8 1
            2     4   9 1
            3     5  10 1
            4     5  11 1
            5     6  12 2
            6     7  13 1
            7     7  14 1
            8     8  15 2
            9     9  16 1
            10   11  17 2
            11   14  18 2
            12   16  19 1
            13   19  20 1
            14   19  25 1
            15   10  13 2
            16   12  17 1
            17   15  18 1
            18   20  21 1
            19   21  22 1
            20   22  23 1
            21    1   2 1
            22   22  24 1
            23    1   3 1
            24   24  25 1
            25    1   4 1
            26   23  26 1
            27    2   5 2
            28   26  27 1
            29    2   6 1
            30    3   7 2


entry: D01478
name: --- - Ebastine (JAN/USAN) - Kestine (TN)
formula: C32H39NO2
activity: Antihistaminic
remark: Therapeutic category: 4490
kcf:
ATOM        35
            1   C8y C    34.2938  -13.6276
            2   C8x C    35.5095  -14.3273
            3   C8x C    36.7234  -13.6244
            4   C8y C    36.7215  -12.2217
            5   C8x C    35.5058  -11.5220
            6   C8x C    34.2919  -12.2249
            7   C1d C    37.9408  -11.5356
            8   C8x C    20.9617  -18.5185
            9   C8x C    20.9617  -19.9179
            10  C8x C    22.1765  -20.6176
            11  C8x C    23.3843  -19.9179
            12  C8y C    23.3843  -18.5185
            13  C8x C    22.1765  -17.8188
            14  C1c C    24.5968  -17.8196
            15  C8y C    25.8081  -18.5204
            16  O2a O    24.5978  -16.4202
            17  C8x C    25.8017  -19.9178
            18  C8x C    27.0130  -20.6183
            19  C8x C    28.2255  -19.9196
            20  C8x C    28.2265  -18.5202
            21  C8x C    27.0150  -17.8195
            22  C1y C    25.8103  -15.7215
            23  C1x C    27.0199  -16.4210
            24  C1x C    28.2324  -15.7223
            25  N1y N    28.2335  -14.3229
            26  C1x C    27.0220  -13.6222
            27  C1x C    25.8096  -14.3210
            28  C1b C    29.4460  -13.6240
            29  C1b C    30.6574  -14.3246
            30  C1b C    31.8700  -13.6259
            31  C5a C    33.0813  -14.3265
            32  O5a O    33.0802  -15.7259
            33  C1a C    39.1533  -10.8356
            34  C1a C    38.6402  -12.7623
            35  C1a C    37.2535  -10.3299
BOND        38
            1     5   6 1
            2     6   1 2
            3     4   7 1
            4     1   2 1
            5    11  12 1
            6    12  13 2
            7    13   8 1
            8    15  17 2
            9    17  18 1
            10   18  19 2
            11   19  20 1
            12   20  21 2
            13   21  15 1
            14   16  22 1
            15   12  14 1
            16   14  15 1
            17    8   9 2
            18   14  16 1
            19   22  23 1
            20   23  24 1
            21   24  25 1
            22   25  26 1
            23   26  27 1
            24   27  22 1
            25    9  10 1
            26   25  28 1
            27   10  11 2
            28   28  29 1
            29   29  30 1
            30    2   3 2
            31   30  31 1
            32   31   1 1
            33    3   4 1
            34   31  32 2
            35    4   5 2
            36    7  33 1
            37    7  34 1
            38    7  35 1


entry: D01479
name: --- - Ambroxol hydrochloride (JAN) - Hustless (TN)
formula: C13H18Br2N2O. HCl
remark: Therapeutic category: 2239
kcf:
ATOM        19
            1   C8y C    20.0844  -16.9289
            2   C8x C    20.0844  -18.3292
            3   C8y C    21.3000  -19.0293
            4   C8y C    22.5085  -18.3292
            5   C8y C    22.5085  -16.9289
            6   C8x C    21.3000  -16.2287
            7   X   Br   18.8720  -16.2281
            8   X   Br   21.3017  -20.4296
            9   N1a N    23.7216  -19.0285
            10  C1b C    23.7216  -16.2296
            11  N1b N    24.9338  -16.9308
            12  C1y C    26.1324  -16.2400
            13  C1x C    27.3274  -16.9314
            14  C1x C    28.5405  -16.2325
            15  C1y C    28.5417  -14.8325
            16  C1x C    27.3468  -14.1411
            17  C1x C    26.1337  -14.8400
            18  O1a O    29.7651  -14.1275
            19  X   Cl   32.0505  -17.4946
BOND        19
            1     4   9 1
            2     2   3 1
            3     5  10 1
            4     3   4 2
            5    10  11 1
            6     4   5 1
            7     5   6 2
            8     6   1 1
            9     1   7 1
            10    3   8 1
            11    1   2 2
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   15  18 1 #Up


entry: D01480
name: --- - Isoconazole nitrate (JAN) - Adestan-G (TN)
formula: C18H14Cl4N2O. HNO3
remark: Therapeutic category: 2529 2655
kcf:
ATOM        29
            1   N2b N    29.9288  -17.7682 #+
            2   O3a O    29.9917  -16.3742
            3   O1b O    28.7251  -18.4713
            4   O0  O    31.1395  -18.4592 #-
            5   C8y C    21.1579  -16.7705
            6   C1c C    21.1637  -15.3721
            7   C8y C    19.9402  -17.4638
            8   C8x C    22.3698  -17.4697
            9   C1b C    22.3814  -14.6729
            10  O2a O    19.9518  -14.6612
            11  C8x C    19.9343  -18.8622
            12  X   Cl   18.7282  -16.7588
            13  C8x C    22.4340  -18.8738
            14  N4y N    23.5933  -15.3838
            15  C1b C    18.7341  -15.3604
            16  C8y C    21.1463  -19.5730
            17  C8x C    24.8810  -14.8245
            18  C8x C    23.7332  -16.7762
            19  C8y C    17.5221  -14.6555
            20  X   Cl   21.1404  -20.9714
            21  C8x C    25.8075  -15.8616
            22  N5x N    25.1024  -17.0734
            23  C8y C    16.3160  -15.3547
            24  C8y C    17.5337  -13.2571
            25  C8x C    15.1041  -14.6496
            26  X   Cl   16.3102  -16.7529
            27  C8x C    16.3276  -12.5520
            28  C8x C    15.1100  -13.2454
            29  X   Cl   18.7457  -12.5686
BOND        30
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     5   6 1
            5     5   7 2
            6     5   8 1
            7     6   9 1
            8     6  10 1
            9     7  11 1
            10    7  12 1
            11    8  13 2
            12    9  14 1
            13   10  15 1
            14   11  16 2
            15   14  17 1
            16   14  18 1
            17   15  19 1
            18   16  20 1
            19   17  21 2
            20   18  22 2
            21   19  23 1
            22   19  24 2
            23   23  25 2
            24   23  26 1
            25   24  27 1
            26   25  28 1
            27   13  16 1
            28   21  22 1
            29   27  28 2
            30   24  29 1


entry: D01481
name: --- - Dihydrocodeine phosphate (JP15) - Dihydro (TN)
formula: C18H23NO3. H3PO4
remark: Therapeutic category: 2242 8115
comment: Component of Huscode (TN), Sekicode (TN)
kcf:
ATOM        27
            1   C1z C     7.1291  -11.7332
            2   C8y C     7.1349  -10.4399
            3   C1y C     8.2478  -12.3917
            4   C1y C     6.0047  -12.3917
            5   C1x C     8.0556  -10.8244
            6   C8y C     6.0280   -9.7816
            7   C8y C     8.2653   -9.8049
            8   C1y C     9.3839  -11.7507
            9   C1x C     8.2536  -13.6910
            10  O2x O     4.7521  -11.0749
            11  C1y C     6.0047  -13.6910
            12  C1x C    10.4850  -10.8127
            13  C8y C     6.0337   -8.4881
            14  C1x C     9.3897  -10.4516
            15  C8x C     8.2768   -8.5112
            16  N1y N    10.5084  -12.4091
            17  C1x C     7.1291  -14.3376
            18  C8x C     7.1641   -7.8471
            19  O2a O     4.9151   -7.8298
            20  O1a O     4.8799  -14.3415
            21  C1a C     3.7063   -8.5145
            22  C1a C    11.9044  -12.4091
            23  P1b P    16.2129  -11.4022
            24  O1c O    17.5248  -11.4141
            25  O1c O    14.9839  -11.4141
            26  O1c O    16.2720  -12.8330
            27  O3b O    16.2482   -9.7756
BOND        30
            1     4  10 1 #Down
            2     4  11 1
            3     5  12 1
            4     6  13 2
            5     7  14 1
            6     7  15 1
            7     8  16 1 #Up
            8     9  17 1
            9    13  18 1
            10   13  19 1
            11    6  10 1
            12    8  14 1
            13   11  17 1
            14   12  16 1
            15   15  18 2
            16   11  20 1 #Down
            17    1   2 1
            18    1   3 1
            19    1   4 1
            20    1   5 1 #Up
            21    2   6 1
            22    2   7 2
            23    3   8 1
            24    3   9 1
            25   19  21 1
            26   16  22 1
            27   23  24 1
            28   23  25 1
            29   23  26 1
            30   23  27 2


entry: D01482
name: --- - Pipamperone hydrochloride (JAN)
formula: C21H32FN3O2. 2Cl
remark: Therapeutic category: 1179
kcf:
ATOM        29
            1   C1z C    26.3900  -16.0300
            2   C1x C    25.2000  -15.3300
            3   C1x C    23.9400  -16.0300
            4   N2y N    23.9400  -17.4300 #+
            5   C1x C    25.2000  -18.1300
            6   C1x C    26.3900  -17.4300
            7   C1b C    22.7500  -18.1300
            8   C1b C    21.5600  -17.4300
            9   C1b C    20.3000  -18.1300
            10  C5a C    19.1100  -17.4300
            11  C8y C    17.9200  -18.1300
            12  O5a O    19.1100  -16.0300
            13  C8x C    16.7300  -17.4300
            14  C8x C    15.4700  -18.1300
            15  C8y C    15.4700  -19.5300
            16  C8x C    16.7300  -20.2300
            17  C8x C    17.9200  -19.5300
            18  X   F    14.2800  -20.1600
            19  N2y N    27.5800  -15.3300 #+
            20  C1x C    28.8400  -16.0300
            21  C1x C    30.0300  -15.3300
            22  C1x C    30.0300  -13.9300
            23  C1x C    28.8400  -13.2300
            24  C1x C    27.5800  -13.9300
            25  C5a C    27.0900  -17.2200
            26  N1a N    28.4900  -17.2200
            27  O5a O    26.3900  -18.4100
            28  X   Cl   27.3000  -12.1800 #-
            29  X   Cl   23.5900  -14.1400 #-
BOND        29
            1     6   1 1
            2     4   7 1
            3    11  13 2
            4    13  14 1
            5    14  15 2
            6    15  16 1
            7    16  17 2
            8    17  11 1
            9    15  18 1
            10    7   8 1
            11    1  19 1
            12    8   9 1
            13    1   2 1
            14    9  10 1
            15    2   3 1
            16   19  20 1
            17   20  21 1
            18   21  22 1
            19   22  23 1
            20   23  24 1
            21   24  19 1
            22   10  11 1
            23    3   4 1
            24   10  12 2
            25    4   5 1
            26    5   6 1
            27   25  26 1
            28   25   1 1
            29   25  27 2


entry: D01483
name: --- - Fominoben hydrochloride (JAN) - Noleptan (TN)
formula: C21H24ClN3O3. HCl
remark: Therapeutic category: 2229
kcf:
ATOM        29
            1   C8x C     3.7100  -11.5500
            2   C8y C     3.7100  -10.1500
            3   C8x C     4.9000   -9.4500
            4   C8y C     6.1600  -10.1500
            5   C8y C     6.1600  -11.5500
            6   C8x C     4.9000  -12.2500
            7   X   Cl    2.5200   -9.4500
            8   N1b N     7.3500  -12.2500
            9   C1b C     7.3500   -9.4500
            10  C5a C     7.3500  -13.6500
            11  C8y C     8.5400  -14.3500
            12  O5a O     6.1600  -14.3500
            13  C8x C     9.7300  -13.6500
            14  C8x C    10.9900  -14.3500
            15  C8x C    10.9900  -15.7500
            16  C8x C     9.8000  -16.4500
            17  C8x C     8.5400  -15.7500
            18  N1c N     8.5400  -10.1500
            19  C1b C     9.7300   -9.4500
            20  C1a C     8.5400  -11.5500
            21  C5a C    10.9200  -10.1500
            22  N1y N    12.1100   -9.4500
            23  O5a O    10.9200  -11.5500
            24  C1x C    12.1100   -8.0500
            25  C1x C    13.3700   -7.3500
            26  O2x O    14.5600   -8.0500
            27  C1x C    14.5600   -9.4500
            28  C1x C    13.3700  -10.1500
            29  X   Cl   13.9300  -13.5100
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     4   9 1
            10    8  10 1
            11   10  11 1
            12   10  12 2
            13   11  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   11  17 1
            19    9  18 1
            20   18  19 1
            21   18  20 1
            22   19  21 1
            23   21  22 1
            24   21  23 2
            25   22  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   22  28 1


entry: D01484
name: --- - Tinoridine hydrochloride (JAN)
formula: C17H20N2O2S. HCl
remark: Therapeutic category: 1148
kcf:
ATOM        23
            1   C8x C    20.3042  -27.0375
            2   C8x C    20.3042  -27.8625
            3   C8x C    21.0204  -28.2750
            4   C8x C    21.7324  -27.8625
            5   C8y C    21.7324  -27.0375
            6   C8x C    21.0204  -26.6250
            7   C1b C    22.4417  -26.6250
            8   N1y N    23.1542  -27.0333
            9   C1x C    23.1568  -27.8545
            10  C1x C    23.8693  -28.2629
            11  C1x C    23.8640  -26.6205
            12  C8y C    24.5765  -27.0288
            13  C8y C    24.5767  -27.8517
            14  C8y C    25.3594  -28.1058
            15  C8y C    25.8429  -27.4399
            16  S2x S    25.3591  -26.7743
            17  N1a N    26.6679  -27.4397
            18  C7a C    25.6146  -28.8904
            19  O7a O    25.0627  -29.5036
            20  O7a O    26.4216  -29.0617
            21  C1b C    26.6768  -29.8462
            22  C1a C    27.4838  -30.0175
            23  X   Cl   29.1917  -27.7875
BOND        24
            1    10  13 1
            2    12  11 1
            3    11   8 1
            4     4   5 1
            5     5   6 2
            6     6   1 1
            7     5   7 1
            8    12  13 2
            9    13  14 1
            10   14  15 2
            11   15  16 1
            12   16  12 1
            13   15  17 1
            14    7   8 1
            15   14  18 1
            16    1   2 2
            17   18  19 2
            18    2   3 1
            19   18  20 1
            20    3   4 2
            21   20  21 1
            22    8   9 1
            23   21  22 1
            24    9  10 1


entry: D01485
name: --- - Propericiazine (JAN) - Neuleptil (TN)
formula: C21H23N3OS
remark: Therapeutic category: 1172
kcf:
ATOM        26
            1   C8x C    18.4483  -18.6354
            2   C8x C    18.4483  -20.0377
            3   C8x C    19.6657  -20.7389
            4   C8x C    19.6657  -17.9342
            5   C8y C    20.8759  -18.6354
            6   C8y C    20.8700  -20.0377
            7   S2x S    22.0814  -20.7440
            8   C8y C    23.2922  -20.0443
            9   C8x C    24.4971  -20.7547
            10  C8x C    25.7147  -20.0663
            11  C8y C    25.6574  -18.6677
            12  N1y N    22.0935  -17.9395
            13  C8y C    23.2990  -18.6486
            14  C8x C    24.5158  -17.9592
            15  C1b C    22.1049  -16.5408
            16  C1b C    23.3219  -15.8515
            17  N1y N    24.5537  -13.7664
            18  C1b C    23.3358  -14.4533
            19  C1x C    25.7540  -14.4757
            20  C1x C    27.0417  -13.7888
            21  C1y C    26.9858  -12.3907
            22  C1x C    25.7818  -11.6794
            23  C1x C    24.5641  -12.3664
            24  O1a O    28.2071  -11.7016
            25  C3b C    26.8806  -17.9535
            26  N3a N    28.0700  -17.2200
BOND        29
            1     1   2 1
            2     2   3 2
            3     5   6 2
            4     6   7 1
            5    12  13 1
            6    13  14 1
            7    16  15 1
            8    15  12 1
            9     7   8 1
            10   12   5 1
            11    3   6 1
            12   17  18 1
            13   18  16 1
            14    5   4 1
            15    4   1 2
            16   13   8 2
            17    8   9 1
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  17 1
            24    9  10 2
            25   21  24 1
            26   10  11 1
            27   11  14 2
            28   11  25 1
            29   25  26 3


entry: D01486
name: --- - Rolitetracycline nitrate (JAN/USAN)
formula: (C27H33N3O8)2. 2HNO3. 3H2O
activity: Antibacterial
remark: Same as: C12933 Therapeutic category: 6152
kcf:
ATOM        87
            1   N2b N    25.8680   -4.9706 #+
            2   O1b O    24.6527   -5.6596
            3   O3a O    25.9321   -3.5611
            4   O0  O    27.0705   -5.6654 #-
            5   C8x C     4.5913   -5.7148
            6   C8x C     4.5913   -7.1561
            7   C8y C     5.8001   -7.8535
            8   C8x C     5.8001   -5.0174
            9   C8y C     7.0090   -5.7148
            10  C8y C     7.0090   -7.1561
            11  C5x C     8.2178   -7.8535
            12  C1z C     8.2178   -5.0174
            13  C1y C     9.4267   -5.7613
            14  C2y C     9.4267   -7.1561
            15  C2y C    10.6356   -7.8535
            16  C1x C    10.6820   -5.0639
            17  C1y C    11.8444   -5.7613
            18  C1z C    11.8444   -7.1561
            19  C5x C    13.0533   -7.8535
            20  C2y C    14.2621   -7.2026
            21  C2y C    14.2621   -5.8078
            22  C1y C    13.0997   -5.0639
            23  C5a C    15.4710   -7.9001
            24  N1b N    16.6799   -7.2026
            25  C1b C    17.8887   -7.9001
            26  N1y N    19.0975   -7.2026
            27  C1x C    20.3994   -7.7606
            28  C1x C    21.3293   -6.7377
            29  C1x C    20.6319   -5.4824
            30  C1x C    19.2370   -5.8078
            31  N1c N    13.0997   -3.6690
            32  C1a C    14.3086   -3.0182
            33  C1a C    11.8909   -2.9716
            34  C1a C     8.7758   -3.5289
            35  O1a O     7.5205   -3.5289
            36  O1a O     5.8001   -9.2484
            37  O5x O     8.2178   -9.2484
            38  O1a O    10.6356   -9.2484
            39  O5x O    13.0533   -9.2949
            40  O5a O    15.4710   -9.2949
            41  O1a O    15.5175   -5.1104
            42  O1a O    11.8444   -8.5509
            43  O0  O    26.5300   -8.8900
            44  N2b N    25.8680   -4.9706 #+
            45  O1b O    24.6527   -5.6596
            46  O3a O    25.9321   -3.5611
            47  O0  O    27.0705   -5.6654 #-
            48  C8x C     4.5913   -5.7148
            49  C8x C     5.8001   -5.0174
            50  C8y C     7.0090   -5.7148
            51  C8y C     7.0090   -7.1561
            52  C5x C     8.2178   -7.8535
            53  C2y C     9.4267   -7.1561
            54  C1y C     9.4267   -5.7613
            55  C1x C    10.6820   -5.0639
            56  C1y C    11.8444   -5.7613
            57  C1z C    11.8444   -7.1561
            58  C2y C    10.6356   -7.8535
            59  O1a O    10.6356   -9.2484
            60  C5x C    13.0533   -7.8535
            61  O5x O    13.0533   -9.2949
            62  C2y C    14.2621   -7.2026
            63  C2y C    14.2621   -5.8078
            64  O1a O    15.5175   -5.1104
            65  C1y C    13.0997   -5.0639
            66  N1c N    13.0997   -3.6690
            67  C1a C    14.3086   -3.0182
            68  C1a C    11.8909   -2.9716
            69  C5a C    15.4710   -7.9001
            70  O5a O    15.4710   -9.2949
            71  N1b N    16.6799   -7.2026
            72  C1b C    17.8887   -7.9001
            73  N1y N    19.0975   -7.2026
            74  C1x C    20.3994   -7.7606
            75  C1x C    21.3293   -6.7377
            76  C1x C    20.6319   -5.4824
            77  C1x C    19.2370   -5.8078
            78  O1a O    11.8444   -8.5509
            79  C1z C     8.2178   -5.0174
            80  C1a C     8.7758   -3.5289
            81  O1a O     7.5205   -3.5289
            82  O5x O     8.2178   -9.2484
            83  C8y C     5.8001   -7.8535
            84  C8x C     4.5913   -7.1561
            85  O1a O     5.8001   -9.2484
            86  O0  O    26.5300   -8.8900
            87  O0  O    26.5300   -8.8900
BOND        90
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4    44  45 1
            5    44  46 2
            6    44  47 1
            7     9   8 2
            8    25  26 1
            9     8   5 1
            10   13  14 1
            11   14  15 2
            12   26  27 1
            13   27  28 1
            14   28  29 1
            15   29  30 1
            16   30  26 1
            17   15  18 1
            18   22  31 1 #Down
            19   17  16 1
            20   31  32 1
            21   16  13 1
            22   31  33 1
            23    5   6 2
            24    6   7 1
            25   12  34 1 #Down
            26    9  10 1
            27   12  35 1 #Up
            28   10  11 1
            29    7  36 1
            30   11  14 1
            31   11  37 2
            32   17  18 1
            33   15  38 1
            34   18  19 1
            35   19  39 2
            36   19  20 1
            37   23  40 2
            38   20  21 2
            39   21  41 1
            40   21  22 1
            41   18  42 1 #Down
            42   22  17 1
            43   13  12 1
            44   20  23 1
            45   12   9 1
            46   23  24 1
            47    7  10 2
            48   24  25 1
            49   50  49 2
            50   72  73 1
            51   49  48 1
            52   54  53 1
            53   53  58 2
            54   73  74 1
            55   74  75 1
            56   75  76 1
            57   76  77 1
            58   77  73 1
            59   58  57 1
            60   65  66 1 #Down
            61   56  55 1
            62   66  67 1
            63   55  54 1
            64   66  68 1
            65   48  84 2
            66   84  83 1
            67   79  80 1 #Down
            68   50  51 1
            69   79  81 1 #Up
            70   51  52 1
            71   83  85 1
            72   52  53 1
            73   52  82 2
            74   56  57 1
            75   58  59 1
            76   57  60 1
            77   60  61 2
            78   60  62 1
            79   69  70 2
            80   62  63 2
            81   63  64 1
            82   63  65 1
            83   57  78 1 #Down
            84   65  56 1
            85   54  79 1
            86   62  69 1
            87   79  50 1
            88   69  71 1
            89   83  51 2
            90   71  72 1


entry: D01487
name: --- - Spiclomazine hydrochloride (JAN)
formula: C22H24ClN3OS2. HCl
kcf:
ATOM        30
            1   N1x N    24.5803  -12.2037
            2   C1z C    24.5741  -13.6015
            3   S2x S    25.9017  -14.0394
            4   C1x C    26.7281  -12.9123
            5   C5x C    25.9117  -11.7777
            6   C8x C    16.0315  -19.8476
            7   C8x C    16.0315  -21.2522
            8   C8x C    17.2508  -21.9546
            9   C8x C    17.2508  -19.1453
            10  C8y C    18.4631  -19.8476
            11  C8y C    18.4571  -21.2522
            12  S2x S    19.6705  -21.9597
            13  C8y C    20.8833  -21.2589
            14  C8x C    22.0901  -21.9704
            15  C8x C    23.3098  -21.2808
            16  C8y C    23.3224  -19.8800
            17  N1y N    19.6825  -19.1504
            18  C8y C    20.8899  -19.8609
            19  C8x C    22.1090  -19.1703
            20  C1b C    19.6940  -17.7495
            21  C1b C    20.9129  -17.0590
            22  C1b C    20.9271  -15.6586
            23  N1y N    22.1468  -14.9704
            24  C1x C    23.3464  -15.6792
            25  C1x C    24.5600  -14.9947
            26  C1x C    23.3745  -12.8927
            27  C1x C    22.0909  -13.5772
            28  O5x O    26.3516  -10.4439
            29  X   Cl   24.5305  -19.1941
            30  X   Cl   28.6896  -19.1297
BOND        33
            1     1   2 1
            2     2   3 1
            3    18  13 2
            4    13  14 1
            5    14  15 2
            6    15  16 1
            7    16  19 2
            8     6   7 1
            9     7   8 2
            10    8  11 1
            11   10   9 1
            12    9   6 2
            13   17  18 1
            14   18  19 1
            15   21  20 1
            16   20  17 1
            17    3   4 1
            18    4   5 1
            19   23  22 1
            20   22  21 1
            21    5   1 1
            22   10  11 2
            23   11  12 1
            24   12  13 1
            25   17  10 1
            26   23  24 1
            27   24  25 1
            28   25   2 1
            29    2  26 1
            30   26  27 1
            31   27  23 1
            32    5  28 2
            33   16  29 1


entry: D01488
name: --- - Calcium glycerophosphate (JAN) - Calcium glycerophosphate (TN)
formula: C3H7O6P. Ca
remark: Therapeutic category: 3212
kcf:
ATOM        11
            1   O1a O    15.6554  -12.7378
            2   C1b C    16.8656  -12.0371
            3   C1c C    18.0758  -12.7378
            4   C1b C    19.2860  -12.0371
            5   O1a O    20.4962  -12.7378
            6   O2b O    18.0758  -14.1390
            7   P1b P    18.0688  -15.5403
            8   O0  O    19.4701  -15.5403 #-
            9   O3b O    16.6675  -15.5403
            10  O0  O    18.0617  -16.9416 #-
            11  Z   Ca   21.6002  -16.7718 #2+
BOND        9
            1     3   6 1
            2     2   3 1
            3     6   7 1
            4     7   8 1
            5     3   4 1
            6     7   9 2
            7     1   2 1
            8     7  10 1
            9     4   5 1


entry: D01489
name: --- - Sulbenicillin sodium (JP15) - Lilacillin (TN)
formula: C16H16N2O7S2. 2Na
remark: Therapeutic category: 1317
kcf:
ATOM        29
            1   C1y C    13.8955  -14.5851
            2   C5x C    13.8955  -15.9706
            3   N1y N    15.2810  -15.9706
            4   C1y C    15.2810  -14.5851
            5   C1y C    16.5973  -16.3862
            6   C1z C    17.4284  -15.2779
            7   S2x S    16.5973  -14.1695
            8   C1a C    18.3983  -16.2477
            9   C1a C    18.3983  -14.3080
            10  C6a C    17.0821  -17.7717
            11  O0  O    18.4675  -17.7717 #-
            12  O6a O    16.2508  -18.8802
            13  N1b N    12.7179  -13.8923
            14  C5a C    11.5402  -14.5851
            15  O5x O    12.7179  -16.6634
            16  O5a O    11.5402  -15.9706
            17  C1c C    10.2933  -13.8923
            18  S4a S     9.0814  -14.6189
            19  C8y C    10.2697  -12.4679
            20  C8x C    11.5127  -11.7222
            21  C8x C    11.4890  -10.3005
            22  C8x C    10.2459   -9.6103
            23  C8x C     9.0028  -10.3559
            24  C8x C     9.0266  -11.7777
            25  O3c O     9.0814  -16.0189
            26  O3c O     9.0814  -13.2189
            27  O0  O     7.6814  -14.6189 #-
            28  Z   Na   19.8800  -17.8500 #+
            29  Z   Na    5.6000  -14.6300 #+
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   17  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   18  25 2
            28   18  26 2
            29   18  27 1


entry: D01490
name: --- - Isoaminile citrate (JAN)
formula: C16H24N2. C6H8O7
remark: Therapeutic category: 2229
kcf:
ATOM        31
            1   C1d C     3.7984    0.4242
            2   C1b C     3.0846    0.0139
            3   C1b C     4.5122    0.0174
            4   C6a C     4.2053    1.1415
            5   O1a O     3.3811    1.1415
            6   C6a C     2.3742    0.4208
            7   C6a C     4.5053   -0.8068
            8   O6a O     3.7880    1.8587
            9   O6a O     5.0329    1.1415
            10  O6a O     1.6605    0.0070
            11  O6a O     2.3673    1.2449
            12  O6a O     5.2191   -1.2206
            13  O6a O     3.7880   -1.2171
            14  C1c C    -2.2375    0.2917
            15  C1d C    -1.4125    0.2917
            16  C8y C    -1.4167   -0.5333
            17  C3b C    -0.5875    0.2917
            18  C1b C    -1.4167    1.1167
            19  C8x C    -2.1332   -0.9422
            20  C8x C    -2.1374   -1.7672
            21  C8x C    -1.4250   -2.1833
            22  C8x C    -0.7084   -1.7744
            23  C8x C    -0.7043   -0.9494
            24  C1c C    -0.7043    1.5328
            25  N1c N    -0.7085    2.3578
            26  C1a C     0.0123    1.1239
            27  C1a C     0.0039    2.7739
            28  C1a C    -1.4250    2.7666
            29  C1a C    -2.6500    1.0061
            30  C1a C    -2.6500   -0.4228
            31  N3a N     0.2375    0.2917
BOND        30
            1    15  16 1
            2     1   3 1
            3    15  17 1
            4     1   4 1
            5    15  18 1
            6     1   5 1
            7     2   6 1
            8     3   7 1
            9     4   8 1
            10    4   9 2
            11   16  19 2
            12   19  20 1
            13   20  21 2
            14   21  22 1
            15   22  23 2
            16   23  16 1
            17    6  10 1
            18   18  24 1
            19    6  11 2
            20   24  25 1
            21    7  12 1
            22   24  26 1
            23    7  13 2
            24   25  27 1
            25   25  28 1
            26   14  29 1
            27   14  15 1
            28   14  30 1
            29    1   2 1
            30   17  31 3


entry: D01491
name: --- - Butropium bromide (JP15) - Coliopan (TN)
formula: C28H38NO4. Br
remark: Therapeutic category: 1242
kcf:
ATOM        34
            1   C1x C    14.3738  -18.8808
            2   C1x C    14.7019  -17.7091
            3   C1y C    15.5455  -18.5996
            4   C1y C    15.8736  -17.4279
            5   N2y N    14.6082  -16.1156 #+
            6   C1x C    17.4202  -18.5996
            7   C1x C    17.1390  -17.4279
            8   C1y C    18.4513  -19.1620
            9   O7a O    19.5293  -20.0525
            10  C7a C    20.7479  -20.0525
            11  C1c C    21.3572  -18.9745
            12  O7a O    21.3572  -21.1773
            13  C8y C    22.5758  -18.9745
            14  C1b C    20.7479  -17.9434
            15  O1a O    21.3572  -16.8655
            16  C8x C    23.2820  -20.1982
            17  C8x C    24.6820  -20.1985
            18  C8x C    25.3822  -18.9862
            19  C8x C    24.6761  -17.7625
            20  C8x C    23.2761  -17.7622
            21  C1a C    13.8591  -14.9314
            22  C1b C    13.3789  -16.7283
            23  C8y C    12.2062  -15.9518
            24  C8x C    12.2062  -14.5518
            25  C8x C    10.9938  -13.8518
            26  C8y C     9.7813  -14.5518
            27  C8x C     9.7813  -15.9518
            28  C8x C    10.9938  -16.6518
            29  O2a O     8.5864  -13.8619
            30  C1b C     7.3926  -14.5513
            31  C1b C     6.2045  -13.8654
            32  C1b C     5.0136  -14.5531
            33  C1a C     3.8240  -13.8663
            34  X   Br   18.4100  -15.1200 #-
BOND        36
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     8   9 1 #Down
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   11  14 1 #Down
            14   14  15 1
            15    4   5 1
            16    7   8 1
            17   13  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   13  20 1
            23    5  21 1
            24    5  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   26  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1


entry: D01492
name: --- - Bucumolol hydrochloride (JP15)
formula: C17H23NO4. HCl
remark: Therapeutic category: 2123
kcf:
ATOM        23
            1   X   Cl   29.6100  -17.0800
            2   C8y C    19.6000  -15.7500
            3   O2a O    19.6000  -14.3500
            4   C1b C    20.7900  -13.7200
            5   C1c C    21.9800  -14.4200
            6   C1b C    23.2400  -13.7200
            7   N1b N    24.4300  -14.4200
            8   C1d C    25.6200  -13.7200
            9   O1a O    21.9800  -15.8200
            10  C1a C    26.8800  -14.4200
            11  C1a C    25.6200  -12.3200
            12  C1a C    26.8800  -13.0200
            13  C8y C    15.9600  -16.4500
            14  C8x C    15.9600  -17.8500
            15  C8x C    17.1500  -18.5500
            16  O7x O    17.1500  -15.7500
            17  C8y C    18.3400  -16.4500
            18  C8y C    18.3400  -17.8500
            19  C8y C    19.5300  -18.5500
            20  C8x C    20.7900  -17.9200
            21  C8x C    20.7900  -16.5200
            22  O7x O    14.7000  -15.7500
            23  C1a C    19.5300  -20.0200
BOND        23
            1     8  12 1
            2     6   7 1
            3     3   4 1
            4     7   8 1
            5    13  14 1
            6    14  15 2
            7    15  18 1
            8    17  16 1
            9    16  13 1
            10    5   9 1
            11    4   5 1
            12    8  10 1
            13    2   3 1
            14   17  18 2
            15   18  19 1
            16   19  20 2
            17   20  21 1
            18   21   2 2
            19    2  17 1
            20    8  11 1
            21   13  22 2
            22    5   6 1
            23   19  23 1


entry: D01493
name: --- - Nitrogen mustard N-oxide hydrochloride (JAN)
formula: C5H11Cl2NO. HCl
remark: Therapeutic category: 4211
kcf:
ATOM        10
            1   C1b C     5.3292  -18.6208
            2   X   Cl    4.6126  -19.0297
            3   C1b C     6.0415  -19.0369
            4   N1d N     6.7581  -18.6280 #+
            5   C1b C     7.4705  -19.0442
            6   C1b C     8.1870  -18.6353
            7   X   Cl    8.8994  -19.0514
            8   O0  O     7.4667  -18.2083 #-
            9   C1a C     6.0375  -18.2125
            10  X   Cl   10.4708  -18.5833
BOND        8
            1     4   5 1
            2     5   6 1
            3     1   3 1
            4     6   7 1
            5     4   8 1
            6     3   4 1
            7     4   9 1
            8     1   2 1


entry: D01495
name: --- - Tipepidine hibenzate (JP15) - Asverin (TN)
formula: C14H9O4. C15H18NS2
remark: Therapeutic category: 2249
kcf:
ATOM        36
            1   C8x C    14.4542  -26.7125
            2   C8x C    14.4542  -27.5375
            3   C8x C    15.1704  -27.9500
            4   C8x C    15.8824  -27.5375
            5   C8y C    15.8824  -26.7125
            6   C8y C    15.1704  -26.3000
            7   C5a C    16.5971  -26.3005
            8   C8y C    17.3113  -26.7136
            9   C8x C    17.3074  -27.5374
            10  C8x C    18.0216  -27.9504
            11  C8y C    18.7364  -27.5385
            12  C8x C    18.7370  -26.7135
            13  C8x C    18.0228  -26.3004
            14  C6a C    15.1714  -25.4750
            15  O0  O    15.8864  -25.0634 #-
            16  O6a O    14.4574  -25.0616
            17  O5a O    16.5978  -25.4755
            18  O1a O    19.4505  -27.9515
            19  C1x C     9.2250  -25.3958
            20  C1x C     9.2250  -26.2208
            21  C1x C     9.9412  -26.6333
            22  C2y C    10.6532  -26.2208
            23  C1x C    10.6532  -25.3958
            24  N2y N     9.9412  -24.9833 #+
            25  C2c C    11.3680  -26.6328
            26  C8y C    11.3686  -27.4578
            27  C8y C    12.0822  -26.2197
            28  C8x C    12.8393  -26.5564
            29  C8x C    13.3910  -25.9428
            30  C8x C    12.9778  -25.2287
            31  S2x S    12.1710  -25.4008
            32  C8x C    10.6972  -27.9450
            33  C8x C    10.9528  -28.7295
            34  C8x C    11.7777  -28.7287
            35  S2x S    12.0321  -27.9440
            36  C1a C     9.9333  -24.1583
BOND        39
            1     7  17 2
            2     7   8 1
            3    11  18 1
            4     1   2 2
            5     2   3 1
            6     3   4 2
            7     4   5 1
            8     5   6 2
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13   8 1
            15    6   1 1
            16    6  14 1
            17   14  15 1
            18    5   7 1
            19   14  16 2
            20   21  22 1
            21   22  25 2
            22   22  23 1
            23   25  26 1
            24   23  24 1
            25   25  27 1
            26   24  19 1
            27   27  28 2
            28   28  29 1
            29   29  30 2
            30   30  31 1
            31   31  27 1
            32   19  20 1
            33   20  21 1
            34   26  32 2
            35   32  33 1
            36   33  34 2
            37   34  35 1
            38   35  26 1
            39   24  36 1


entry: D01496
name: --- - Oxymetebanol (JAN) - Metebanyl (TN)
formula: C19H27NO4
remark: Therapeutic category: 8119 8211
kcf:
ATOM        24
            1   C1z C    -1.0749  -32.1093
            2   C8y C    -1.0783  -31.3334
            3   C1z C    -0.4128  -32.4989
            4   C1x C    -1.7508  -32.4920
            5   C1x C    -0.4956  -31.5472
            6   C8y C    -0.4059  -30.9472
            7   C1y C     0.2596  -32.1127
            8   C1x C    -0.4163  -33.2713
            9   O1a O     0.2561  -33.0058
            10  C1y C    -1.7577  -33.2610
            11  C1x C     0.9630  -31.5472
            12  C1x C     0.2630  -31.3369
            13  C8x C    -0.4059  -30.1679
            14  N1y N     0.9320  -32.5024
            15  C1x C    -1.0887  -33.6541
            16  C8x C    -1.0749  -29.7817
            17  C1a C     1.7527  -32.0989
            18  O1a O    -2.4268  -33.6400
            19  C8y C    -1.7542  -30.9487
            20  C8y C    -1.7542  -30.1679
            21  O2a O    -2.4303  -29.7776
            22  C1a C    -3.1065  -30.1679
            23  C1a C    -3.1065  -30.9487
            24  O2a O    -2.4303  -31.3391
BOND        27
            1     3   7 1
            2     3   8 1
            3     3   9 1 #Up
            4     4  10 1
            5     5  11 1
            6     6  12 1
            7     6  13 1
            8     7  14 1 #Up
            9     8  15 1
            10   20  16 1
            11   14  17 1
            12    7  12 1
            13   10  15 1
            14   11  14 1
            15   13  16 2
            16   10  18 1 #Up
            17    1   2 1
            18    1   3 1
            19    1   4 1
            20    1   5 1 #Up
            21    2  19 1
            22    2   6 2
            23   19  20 2
            24   20  21 1
            25   21  22 1
            26   23  24 1
            27   24  19 1


entry: D01497
name: --- - Improsulfan tosilate (JAN)
formula: C8H20NO6S2. C7H7O3S
remark: Therapeutic category: 4213
kcf:
ATOM        28
            1   C1a C     4.9792  -34.6875
            2   S4a S     5.6917  -34.2750
            3   O2a O     6.4042  -34.6833
            4   C1b C     7.1167  -34.2708
            5   C1b C     7.8292  -34.6792
            6   C1b C     8.5417  -34.2667
            7   N1b N     9.2542  -34.6750 #+
            8   C1b C     9.9667  -34.2625
            9   C1b C    10.6792  -34.6708
            10  C1b C    11.3917  -34.2583
            11  O3c O     6.2750  -33.6875
            12  O3c O     5.1042  -33.6875
            13  O2a O    12.1066  -34.6700
            14  S4a S    12.8206  -34.2566
            15  C1a C    13.5356  -34.6683
            16  O3c O    13.4000  -33.6667
            17  O3c O    12.2292  -33.6667
            18  C8y C    15.6411  -34.0315
            19  C8x C    14.9204  -34.4453
            20  C8x C    16.3583  -34.4453
            21  S4a S    15.6307  -33.2039
            22  C8x C    14.9204  -35.2728
            23  C8x C    16.3583  -35.2728
            24  O3c O    14.8031  -33.2039
            25  O3c O    16.4618  -33.2039
            26  O0  O    15.6273  -32.3763 #-
            27  C8y C    15.6411  -35.6935
            28  C1a C    15.6445  -36.5211
BOND        27
            1    13  14 1
            2     6   7 1
            3    14  15 1
            4    14  16 2
            5     7   8 1
            6    14  17 2
            7     3   4 1
            8     8   9 1
            9     1   2 1
            10    9  10 1
            11    4   5 1
            12    2  11 2
            13    2  12 2
            14    5   6 1
            15   10  13 1
            16    2   3 1
            17   18  19 1
            18   18  20 2
            19   18  21 1
            20   19  22 2
            21   20  23 1
            22   21  24 2
            23   21  25 2
            24   21  26 1
            25   22  27 1
            26   27  28 1
            27   23  27 2


entry: D01499
name: --- - Pivmecillinam hydrochloride (JP15) - Melysin (TN)
formula: C21H33N3O5S. HCl
remark: Therapeutic category: 6121
comment: semisynthetic penicillin: moderate spectrum penicillin
kcf:
ATOM        31
            1   C1y C    12.9500  -20.9300
            2   C5x C    12.9500  -22.3300
            3   N1y N    14.3500  -22.3300
            4   C1y C    14.3500  -20.9300
            5   C1y C    15.6800  -22.7500
            6   C1z C    16.5200  -21.6300
            7   S2x S    15.6800  -20.5100
            8   C1a C    17.5000  -22.6100
            9   C1a C    17.5000  -20.6500
            10  C7a C    16.1700  -24.0800
            11  O7a O    17.5700  -24.0800
            12  O7a O    15.3300  -25.2700
            13  N2b N    11.7600  -20.2300
            14  C2b C    10.5700  -20.9300
            15  O5x O    11.7600  -23.0300
            16  N1y N     9.3100  -20.2300
            17  C1b C    18.2700  -25.3400
            18  O7a O    19.6700  -25.3400
            19  C7a C    20.3700  -24.1500
            20  O7a O    19.6700  -22.9600
            21  C1d C    21.7700  -24.1500
            22  C1a C    23.1700  -24.1500
            23  C1a C    21.7700  -22.7500
            24  C1a C    21.7700  -25.5500
            25  C1x C     9.3100  -18.8300
            26  C1x C     8.1900  -17.9200
            27  C1x C     6.8600  -18.2700
            28  C1x C     6.2300  -19.5300
            29  C1x C     6.8600  -20.7900
            30  C1x C     8.1900  -21.0700
            31  X   Cl   22.0500  -20.7900
BOND        32
            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 2
            16    2  15 2
            17   14  16 1
            18   11  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   19  21 1
            23   21  22 1
            24   21  23 1
            25   21  24 1
            26   27  28 1
            27   28  29 1
            28   26  27 1
            29   25  26 1
            30   29  30 1
            31   30  16 1
            32   25  16 1


entry: D01500
name: --- - Trimebutine maleate (JP15) - Cerekinon (TN)
formula: C22H30NO5. C4H3O4
remark: Therapeutic category: 2399
kcf:
ATOM        36
            1   C8y C    10.8083  -51.5708
            2   C8x C    10.8083  -52.3958
            3   C8y C    10.0921  -52.8083
            4   C8y C     9.3801  -52.3958
            5   C8y C     9.3801  -51.5708
            6   C8x C    10.0921  -51.1583
            7   O2a O     8.6654  -52.8078
            8   C1a C     7.9512  -52.3948
            9   O2a O    10.0911  -53.6333
            10  C1a C     9.3761  -54.0449
            11  O2a O     8.6653  -51.1588
            12  C1a C     8.6647  -50.3338
            13  C7a C    11.5226  -51.1579
            14  O7a O    12.2375  -51.5667
            15  C1b C    12.9500  -51.1542
            16  C1d C    13.6625  -51.5667
            17  O7a O    11.5206  -50.3329
            18  C8y C    14.3792  -51.9750
            19  C1b C    13.2516  -52.2821
            20  N1c N    14.0720  -50.8505 #+
            21  C1a C    13.6566  -50.1377
            22  C1a C    14.8970  -50.8471
            23  C8x C    15.0911  -51.5585
            24  C8x C    15.8078  -51.9668
            25  C8x C    15.8125  -52.7917
            26  C8x C    15.1005  -53.2082
            27  C8x C    14.3839  -52.7998
            28  C1a C    13.2583  -53.1042
            29  C6a C    19.7699  -51.9841
            30  C2b C    19.3941  -51.3358
            31  O0  O    19.3975  -52.6358 #-
            32  O6a O    20.5217  -51.9806
            33  C2b C    18.4941  -51.3392
            34  C6a C    18.1217  -51.9909
            35  O6a O    17.3699  -51.9909
            36  O6a O    18.5010  -52.6392
BOND        36
            1     1   2 2
            2    16  18 1
            3     2   3 1
            4    16  19 1
            5     4   7 1
            6    16  20 1
            7     3   4 2
            8    20  21 1
            9     7   8 1
            10   20  22 1
            11    5  11 1
            12   11  12 1
            13    4   5 1
            14   18  23 2
            15   23  24 1
            16   24  25 2
            17   25  26 1
            18   26  27 2
            19   27  18 1
            20    1  13 1
            21   19  28 1
            22    3   9 1
            23   13  14 1
            24    5   6 2
            25   14  15 1
            26    9  10 1
            27   15  16 1
            28    6   1 1
            29   13  17 2
            30   29  30 1
            31   29  31 1
            32   29  32 2
            33   30  33 2
            34   33  34 1
            35   34  35 1
            36   34  36 2


entry: D01501
name: --- - Isoniazid calcium pyruvinate (JAN)
formula: (C9H8N3O3)2. Ca
kcf:
ATOM        31
            1   C8y C    24.1859  -51.4539
            2   C5a C    24.9031  -51.8677
            3   C8x C    23.4721  -51.8677
            4   C8x C    24.1859  -50.6263
            5   N1b N    25.6204  -51.4539
            6   O5a O    24.9031  -52.6953
            7   C8x C    22.7514  -51.4539
            8   C8x C    23.4721  -50.2091
            9   N2b N    26.3411  -51.8677
            10  N5x N    22.7514  -50.6263
            11  C2c C    27.0546  -51.4535
            12  C6a C    27.7701  -51.8643
            13  C1a C    27.0526  -50.6285
            14  O6a O    27.7720  -52.6893
            15  O0  O    28.4836  -51.4501 #-
            16  C8y C    24.1859  -54.8289
            17  C5a C    24.9031  -55.2427
            18  C8x C    23.4721  -55.2427
            19  C8x C    24.1859  -54.0013
            20  N1b N    25.6204  -54.8289
            21  O5a O    24.9031  -56.0703
            22  C8x C    22.7514  -54.8289
            23  C8x C    23.4721  -53.5841
            24  N2b N    26.3411  -55.2427
            25  N5x N    22.7514  -54.0013
            26  C2c C    27.0546  -54.8285
            27  C6a C    27.7701  -55.2393
            28  C1a C    27.0526  -54.0035
            29  O6a O    27.7720  -56.0643
            30  O0  O    28.4836  -54.8251 #-
            31  Z   Ca   30.4250  -53.1792 #2+
BOND        30
            1     1   3 2
            2    12  15 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 2
            10    8  10 1
            11    9  11 2
            12   16  17 1
            13   16  18 2
            14   16  19 1
            15   17  20 1
            16   17  21 2
            17   18  22 1
            18   19  23 2
            19   20  24 1
            20   22  25 2
            21   23  25 1
            22   24  26 2
            23   11  12 1
            24   26  27 1
            25   26  28 1
            26   11  13 1
            27   27  29 2
            28    1   2 1
            29   27  30 1
            30   12  14 2


entry: D01502
name: --- - Silver diammine fluoride (JAN) - Saforide (TN)
formula: 2NH3. Ag. F
remark: Therapeutic category: 2730 2790
kcf:
ATOM        4
            1   N0  N    20.9750  -16.4117
            2   N0  N    21.0167  -17.9417
            3   Z   Ag   23.7767  -17.2467 #+
            4   X   F    26.2683  -17.2467 #-
BOND        0


entry: D01503
name: --- - Antimony sodium tartrate (JAN/USP) - Stibnal (TN)
formula: C8H4O12Sb2. 2Na
activity: Antischistosomal
remark: Therapeutic category: 6429
kcf:
ATOM        24
            1   C1y C    22.6192  -19.8364
            2   C7x C    23.9941  -19.8447
            3   O7x O    24.4286  -18.5411 #-
            4   Z   Sb   23.3195  -17.3738 #3+
            5   O2x O    22.2005  -18.5277 #-
            6   C7x C    24.0119  -14.9136
            7   C1y C    22.6397  -14.9093
            8   O2x O    22.2102  -16.2189 #-
            9   O7x O    24.4335  -16.2184 #-
            10  C7x C    18.8327  -19.8316
            11  C1y C    20.2076  -19.8399
            12  O2x O    20.6421  -18.5362 #-
            13  Z   Sb   19.5329  -17.3690 #3+
            14  O7x O    18.4140  -18.5228 #-
            15  C1y C    20.2254  -14.9088
            16  C7x C    18.8462  -14.9046
            17  O7x O    18.4236  -16.2140 #-
            18  O2x O    20.6470  -16.2206 #-
            19  O7x O    24.8155  -13.8066
            20  O7x O    18.0494  -13.7928
            21  O7x O    18.0186  -20.9360
            22  O7x O    24.7875  -20.9591
            23  Z   Na   26.4797  -17.2772 #+
            24  Z   Na   15.9624  -17.4185 #+
BOND        26
            1     4   5 1
            2     5   1 1
            3    10  11 1
            4    11  12 1
            5    12  13 1
            6    13  14 1
            7    14  10 1
            8     1   2 1
            9     6   7 1
            10   15  16 1
            11   16  17 1
            12   17  13 1
            13   13  18 1
            14   18  15 1
            15   15   7 1
            16   11   1 1
            17    7   8 1
            18    6  19 2
            19    8   4 1
            20   16  20 2
            21    4   9 1
            22   10  21 2
            23    9   6 1
            24    2  22 2
            25    2   3 1
            26    3   4 1


entry: D01504
name: --- - Bufetolol hydrochloride (JP15) - Adobiol (TN)
formula: C18H29NO4. HCl
remark: Therapeutic category: 2123
kcf:
ATOM        24
            1   C8y C    19.7695  -15.7602
            2   C8y C    19.7695  -14.3282
            3   C8x C    18.5430  -16.4704
            4   O2a O    21.0079  -13.6181
            5   C8x C    18.5430  -13.6181
            6   C8x C    17.3046  -15.7602
            7   C1b C    22.2462  -14.3282
            8   C8x C    17.3046  -14.3282
            9   C1c C    23.4728  -13.6241
            10  C1b C    24.7111  -14.3341
            11  O1a O    23.4728  -12.1978
            12  N1b N    25.9492  -13.6241
            13  C1d C    27.1758  -14.3341
            14  C1a C    28.3379  -14.8974
            15  C1a C    26.6829  -15.3963
            16  C1a C    27.7686  -13.0840
            17  O2a O    20.9859  -16.4613
            18  C1b C    22.2014  -15.7586
            19  C1y C    23.4180  -16.4598
            20  O2x O    23.4180  -17.8598
            21  C1x C    24.7495  -18.2924
            22  C1x C    25.5724  -17.1598
            23  C1x C    24.7495  -16.0272
            24  X   Cl   28.0767  -17.2793
BOND        24
            1     5   8 1
            2     7   9 1
            3     9  10 1
            4     9  11 1
            5    10  12 1
            6    12  13 1
            7    13  14 1
            8    13  15 1
            9    13  16 1
            10    6   8 2
            11    1  17 1
            12   17  18 1
            13    1   2 1
            14   18  19 1
            15    1   3 2
            16    2   4 1
            17    2   5 2
            18    3   6 1
            19    4   7 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   19  23 1


entry: D01505
name: --- - Talipexole hydrochloride (JAN) - Domin (TN)
formula: C10H15N3S. 2HCl
remark: Therapeutic category: 1169
kcf:
ATOM        16
            1   C1x C    14.5392  -19.9276
            2   C1x C    13.7904  -19.5812
            3   N1y N    14.7319  -20.7359
            4   C1x C    14.2189  -21.3912
            5   C1x C    13.3888  -21.3971
            6   S2x S    12.0427  -20.8364
            7   C8y C    11.7067  -20.0825
            8   N5x N    12.3282  -19.5293
            9   C8y C    13.0449  -19.9474
            10  C8y C    12.8665  -20.7557
            11  N1a N    10.8965  -19.9026
            12  C1b C    15.4500  -21.1500
            13  C2b C    16.1667  -20.7333
            14  C2a C    16.8833  -21.1500
            15  X   Cl   18.4125  -21.1792
            16  X   Cl   18.4125  -19.8458
BOND        15
            1     1   3 1
            2     6   7 1
            3     7   8 2
            4     8   9 1
            5     9  10 2
            6    10   6 1
            7     3   4 1
            8     7  11 1
            9     3  12 1
            10   10   5 1
            11   12  13 1
            12    4   5 1
            13   13  14 2
            14    1   2 1
            15    2   9 1


entry: D01506
name: --- - Dimemorfan phosphate (JP15) - Astomin (TN)
formula: C18H25N. H3PO4
remark: Therapeutic category: 2229
kcf:
ATOM        24
            1   C1z C    26.4314  -16.0970
            2   C8y C    26.4256  -14.7709
            3   C1y C    27.5650  -16.7629
            4   C1x C    25.2813  -16.7512
            5   C1x C    27.4250  -15.1395
            6   C8y C    27.5767  -14.1107
            7   C1y C    28.7092  -16.1027
            8   C1x C    27.5591  -18.0831
            9   C1x C    25.2696  -18.0657
            10  C1x C    29.9127  -15.1395
            11  C1x C    28.7149  -14.7768
            12  C8x C    27.5767  -12.7789
            13  N1y N    29.8602  -16.7688
            14  C1x C    26.4080  -18.7375
            15  C8x C    26.4314  -12.1187
            16  C8x C    25.2756  -14.1133
            17  C8y C    25.2756  -12.7789
            18  C1a C    24.1192  -12.1074
            19  C1a C    31.2602  -16.7688
            20  P1b P    34.8355  -15.2358
            21  O3b O    34.8284  -13.8407
            22  O1c O    36.2306  -15.2358
            23  O1c O    34.8284  -16.6308
            24  O1c O    33.4404  -15.2288
BOND        26
            1    17  15 1
            2     7  11 1
            3     9  14 1
            4    10  13 1
            5    12  15 2
            6     1   2 1
            7     1   3 1
            8     1   4 1
            9     1   5 1 #Up
            10    2  16 1
            11    2   6 2
            12   16  17 2
            13   17  18 1
            14    3   7 1
            15    3   8 1
            16    4   9 1
            17    5  10 1
            18    6  11 1
            19    6  12 1
            20    7  13 1 #Up
            21    8  14 1
            22   13  19 1
            23   20  21 2
            24   20  22 1
            25   20  23 1
            26   20  24 1


entry: D01507
name: --- - Tolperisone hydrochloride (JP15) - Muscalm (TN)
formula: C16H23NO. HCl
remark: Therapeutic category: 1249
kcf:
ATOM        19
            1   C8x C    -3.2583  -29.2333
            2   C8y C    -3.2583  -30.0625
            3   C8x C    -2.5380  -30.4792
            4   C8x C    -1.8218  -30.0625
            5   C8y C    -1.8218  -29.2333
            6   C8x C    -2.5380  -28.8208
            7   C5a C    -1.1083  -28.8208
            8   C1c C    -0.3958  -29.2292
            9   C1b C     0.3208  -28.8167
            10  N1y N     1.0375  -29.2250
            11  C1x C     1.0401  -30.0504
            12  C1x C     1.7568  -30.4629
            13  C1x C     2.4708  -30.0458
            14  C1x C     2.4682  -29.2205
            15  C1x C     1.7515  -28.8121
            16  C1a C    -0.3940  -30.0583
            17  O5a O    -1.1110  -27.9917
            18  C1a C    -3.9768  -30.4795
            19  X   Cl    4.7583  -29.4417
BOND        19
            1     8   9 1
            2     2   3 1
            3     9  10 1
            4     3   4 2
            5     4   5 1
            6     5   6 2
            7     6   1 1
            8    10  11 1
            9    11  12 1
            10   12  13 1
            11   13  14 1
            12   14  15 1
            13   15  10 1
            14    5   7 1
            15    8  16 1
            16    7  17 2
            17    7   8 1
            18    2  18 1
            19    1   2 2


entry: D01509
name: --- - Bisdequalinium diacetate (JAN)
formula: C40H58N4. (C2H3O2)2
kcf:
ATOM        52
            1   C8x C    17.3965  -16.6730
            2   C8x C    17.3965  -18.0250
            3   C8x C    18.5717  -18.7011
            4   C8x C    18.5717  -15.9969
            5   C8y C    19.7398  -16.6730
            6   C8y C    19.7338  -18.0250
            7   N5y N    20.9032  -18.7061 #+
            8   C8y C    22.0785  -18.0354
            9   C8x C    22.0844  -16.6833
            10  C8y C    20.9150  -16.0022
            11  C1a C    23.2477  -18.7165
            12  N1x N    20.9209  -14.6501
            13  C1x C    20.8973  -20.0582
            14  C1x C    22.0864  -13.9618
            15  C1x C    23.2555  -14.6378
            16  C1x C    24.4243  -13.9618
            17  C1x C    25.5933  -14.6309
            18  C1x C    26.7624  -13.9548
            19  C1x C    22.0653  -20.7292
            20  C1x C    23.2343  -20.0531
            21  C1x C    24.4032  -20.7292
            22  C1x C    25.5722  -20.0531
            23  C1x C    28.1144  -13.9548
            24  C1x C    29.2833  -14.6238
            25  C1x C    30.4523  -13.9477
            26  C1x C    31.6213  -14.6167
            27  C1x C    32.7902  -13.9406
            28  N1x N    33.9592  -14.6097
            29  C8y C    33.9636  -15.9618
            30  C8x C    32.7978  -16.6334
            31  C8y C    32.8024  -17.9855
            32  N5y N    33.9768  -18.6576 #+
            33  C8y C    35.1424  -16.6258
            34  C8y C    35.1418  -17.9755
            35  C8x C    36.3118  -18.6509
            36  C8x C    37.4825  -17.9765
            37  C8x C    37.4830  -16.6268
            38  C8x C    36.3130  -15.9515
            39  C1a C    31.6322  -18.6654
            40  C1x C    33.9836  -20.0168
            41  C1x C    32.8113  -20.6869
            42  C1x C    31.6425  -20.0109
            43  C1x C    30.4734  -20.6940
            44  C1x C    29.3044  -20.0180
            45  O6a O    18.9196  -19.9641
            46  C6a C    18.9125  -21.3584
            47  O0  O    20.1165  -22.0616 #-
            48  C1a C    17.7016  -22.0494
            49  O6a O    35.5579  -19.7752
            50  C6a C    35.5649  -21.1695
            51  O0  O    34.3609  -21.8727 #-
            52  C1a C    36.7759  -21.8606
BOND        54
            1     5   4 2
            2    24  25 1
            3     8  11 1
            4    25  26 1
            5     4   1 1
            6    26  27 1
            7    10  12 1
            8    27  28 1
            9    28  29 1
            10    7  13 1
            11   12  14 1
            12   29  30 2
            13   30  31 1
            14   31  32 2
            15   32  34 1
            16   33  29 1
            17   14  15 1
            18    1   2 2
            19   15  16 1
            20    2   3 1
            21   16  17 1
            22   33  34 1
            23   34  35 2
            24   35  36 1
            25   36  37 2
            26   37  38 1
            27   38  33 2
            28    3   6 2
            29   31  39 1
            30   17  18 1
            31   32  40 1
            32    5   6 1
            33   40  41 1
            34   13  19 1
            35   41  42 1
            36    6   7 1
            37   42  43 1
            38   19  20 1
            39   43  44 1
            40   22  44 1
            41    7   8 2
            42   20  21 1
            43    8   9 1
            44   21  22 1
            45    9  10 2
            46   18  23 1
            47   10   5 1
            48   23  24 1
            49   45  46 2
            50   46  47 1
            51   46  48 1
            52   49  50 2
            53   50  51 1
            54   50  52 1


entry: D01510
formula: C29H34FO8S. Na
remark: Therapeutic category: 1315 2454
name:
--- 
- Dexamethasone metasulfobenzoate sodium (JAN)
- Dexamethazone metasulfobenzoate sodium
- Dexapos
- Santeson (TN)

kcf:
ATOM        40
            1   C2x C    22.4440  -19.5349
            2   C5x C    22.4440  -20.8673
            3   C2x C    23.5978  -21.5334
            4   C2y C    24.7516  -20.8673
            5   C1z C    24.7516  -19.5349
            6   C2x C    23.5978  -18.8688
            7   C1x C    25.9054  -21.5334
            8   C1x C    27.0591  -20.8673
            9   C1y C    27.0591  -19.5349
            10  C1z C    25.9054  -18.8688
            11  C1y C    28.2130  -18.8688
            12  C1z C    28.2130  -17.5364
            13  C1x C    27.0591  -16.8703
            14  C1y C    25.9054  -17.5364
            15  C1x C    30.5206  -18.8688
            16  C1y C    30.5206  -17.5364
            17  C1z C    29.3668  -16.8703
            18  C1a C    24.7516  -18.2026
            19  O1a O    24.7535  -16.8715
            20  C1a C    28.2130  -16.2042
            21  C1a C    31.6622  -16.8773
            22  C5a C    29.3668  -14.1056
            23  X   F    25.9054  -20.2010
            24  O1a O    30.5206  -15.9985
            25  O5x O    21.2903  -21.5334
            26  O5a O    30.5246  -13.4372
            27  C1b C    28.2169  -13.4416
            28  O2a O    27.0811  -14.0975
            29  C1b C    25.9074  -13.4196
            30  C8y C    24.7074  -14.1126
            31  C8x C    23.5331  -13.4351
            32  C8y C    22.3431  -14.1227
            33  C8x C    22.3436  -15.4969
            34  C8x C    23.5179  -16.1743
            35  C8x C    24.7079  -15.4868
            36  S4a S    21.1283  -13.4218
            37  O0  O    19.9158  -12.7218 #-
            38  O3c O    20.4235  -14.6427
            39  O3c O    21.8232  -12.2180
            40  Z   Na   17.8500  -12.7400 #+
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 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 #Down
            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 2
            35   31  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   30  35 1
            40   32  36 1
            41   36  37 1
            42   36  38 2
            43   36  39 2


entry: D01512
name: --- - Befunolol hydrochloride (JAN) - Bentos (TN)
formula: C16H22NO4. Cl
remark: Therapeutic category: 1319
kcf:
ATOM        22
            1   C8y C    19.0415  -16.9543
            2   C8x C    17.8283  -17.6541
            3   C8x C    16.6166  -15.5538
            4   C8x C    16.6191  -16.9540
            5   O2a O    20.2547  -17.6543
            6   C8y C    19.0405  -15.5510
            7   C8y C    17.8298  -14.8522
            8   C8x C    18.1204  -13.4846
            9   C8y C    19.5107  -13.3387
            10  O2x O    20.0794  -14.6157
            11  C5a C    20.2110  -12.1257
            12  O5a O    19.5107  -10.9127
            13  C1a C    21.6116  -12.1256
            14  C1b C    21.4662  -16.9515
            15  C1c C    22.6806  -17.6494
            16  C1b C    23.8921  -16.9466
            17  N1b N    25.1065  -17.6444 #+
            18  C1c C    26.3180  -16.9416
            19  C1a C    27.5324  -17.6394
            20  C1a C    26.3152  -15.5410
            21  O1a O    22.6834  -19.0500
            22  X   Cl   25.9060  -20.1513 #-
BOND        22
            1    10   6 1
            2     3   4 2
            3     9  11 1
            4     1   2 2
            5    11  12 2
            6     1   5 1
            7    11  13 1
            8     2   4 1
            9     5  14 1
            10    3   7 1
            11   14  15 1
            12    6   1 1
            13   15  16 1
            14   16  17 1
            15   17  18 1
            16    6   7 2
            17   18  19 1
            18    7   8 1
            19   18  20 1
            20    8   9 2
            21   15  21 1
            22    9  10 1


entry: D01513
name: --- - Alminoprofen (JAN) - Minalfen (TN)
formula: C13H17NO2
remark: Therapeutic category: 1149
kcf:
ATOM        16
            1   C8y C    21.8124  -16.6569
            2   C8x C    21.8124  -18.0570
            3   C8x C    20.5969  -18.7571
            4   C8y C    19.3886  -18.0570
            5   C8x C    19.3886  -16.6569
            6   C8x C    20.5969  -15.9568
            7   N1b N    23.0247  -15.9563
            8   C1b C    24.2374  -16.6557
            9   C2c C    25.4497  -15.9550
            10  C1a C    26.6627  -16.6545
            11  C2a C    25.4490  -14.5548
            12  C1c C    18.1754  -18.7563
            13  C1a C    18.1744  -20.1564
            14  C6a C    16.9635  -18.0553
            15  O6a O    15.7504  -18.7544
            16  O6a O    16.9645  -16.6552
BOND        16
            1     7   8 1
            2     2   3 1
            3     8   9 1
            4     3   4 2
            5     9  10 1
            6     4   5 1
            7     9  11 2
            8     5   6 2
            9     4  12 1
            10    6   1 1
            11   12  13 1
            12   12  14 1
            13    1   7 1
            14   14  15 1
            15    1   2 2
            16   14  16 2


entry: D01514
name: --- - Etizolam (JP15) - Sedekopan (TN)
formula: C17H15ClN4S
remark: Therapeutic category: 1179
kcf:
ATOM        23
            1   C2y C    32.3910  -16.5222
            2   C8y C    31.5532  -15.4102
            3   C8y C    31.8931  -14.0554
            4   N4y N    33.1554  -13.4822
            5   N2x N    33.7958  -16.5524
            6   C8y C    34.4061  -14.1085
            7   C1x C    34.6877  -15.4776
            8   S2x S    30.7095  -13.3135
            9   C8y C    29.6383  -14.2100
            10  C8x C    30.1596  -15.3659
            11  C8y C    31.6701  -17.7110
            12  C8x C    30.2798  -17.7110
            13  C8x C    29.5847  -18.9150
            14  C8x C    30.2798  -20.1191
            15  C8x C    31.6701  -20.1191
            16  C8y C    32.3653  -18.9150
            17  X   Cl   33.7695  -18.9151
            18  C1b C    28.4343  -13.5148
            19  C1a C    27.2318  -14.2091
            20  C8y C    33.1554  -12.0219
            21  N5x N    35.3883  -13.1125
            22  N5x N    34.7447  -11.8007
            23  C1a C    32.1002  -11.1732
BOND        26
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 1
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    1  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   11  16 2
            19   16  17 1
            20    9  18 1
            21   18  19 1
            22    4  20 1
            23    6  21 2
            24   21  22 1
            25   22  20 2
            26   20  23 1


entry: D01515
name: --- - Iproheptine Hydrochloride (JAN)
formula: C11H26N. Cl
remark: Therapeutic category: 4420
kcf:
ATOM        13
            1   C1a C    -3.7250  -21.3750
            2   C1c C    -3.0125  -20.9625
            3   C1b C    -2.3000  -21.3750
            4   C1b C    -1.5875  -20.9625
            5   C1b C    -0.8750  -21.3750
            6   C1c C    -0.1625  -20.9625
            7   C1a C     0.5500  -21.3750
            8   C1a C    -3.0125  -20.1375
            9   N1b N    -0.1625  -20.1375 #+
            10  C1c C    -0.8770  -19.7250
            11  C1a C    -0.8770  -18.9000
            12  C1a C    -1.5914  -20.1375
            13  X   Cl    1.2792  -20.1667 #-
BOND        11
            1     2   3 1
            2     6   7 1
            3     2   8 1
            4     3   4 1
            5     6   9 1
            6     1   2 1
            7     9  10 1
            8     4   5 1
            9    10  11 1
            10   10  12 1
            11    5   6 1


entry: D01517
name: --- - Ceftezole sodium (JAN) - Celoslin (TN) - Falomesin (TN) - CTZ
formula: C13H11N8O4S3. Na
remark: Therapeutic category: 6132
comment: semisynthetic cephalosporin: narrow spectrum cephalosporin
kcf:
ATOM        29
            1   C1y C    28.9687  -14.5749
            2   N1y N    28.9687  -15.9706
            3   C2y C    30.1776  -16.6683
            4   C2y C    31.3863  -15.9706
            5   C1x C    31.3863  -14.5749
            6   S2x S    30.1776  -13.8770
            7   C1y C    27.5729  -14.5749
            8   C5x C    27.5729  -15.9706
            9   N1b N    26.3643  -13.8770
            10  C5a C    25.1554  -14.5749
            11  O5a O    25.1554  -15.9706
            12  O5x O    26.3643  -16.6683
            13  C1b C    23.9466  -13.8770
            14  C1b C    32.6135  -16.6795
            15  C6a C    30.1776  -18.0639
            16  O6a O    28.9519  -18.7716
            17  O0  O    31.3693  -18.7521 #-
            18  N4y N    22.7185  -14.5865
            19  S2a S    33.8271  -15.9790
            20  C8y C    35.0355  -16.6770
            21  N5x N    35.4593  -18.0051
            22  N5x N    36.8560  -18.0165
            23  C8x C    37.2984  -16.6917
            24  S2x S    36.1752  -15.8615
            25  C8x C    21.5669  -13.7756
            26  N5x N    20.4353  -14.6205
            27  N5x N    20.8890  -15.9579
            28  N5x N    22.3011  -15.9398
            29  Z   Na   32.8294  -18.6897 #+
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   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 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   18  28 1


entry: D01518
name: --- - Alfacalcidol (JAN) - Alsiodol (TN)
formula: C27H44O2
remark: Therapeutic category: 3112
kcf:
ATOM        29
            1   C1x C    15.2526  -18.7706
            2   C1y C    15.2526  -20.1421
            3   C1x C    16.4432  -20.8278
            4   C2y C    17.6269  -20.1421
            5   C2y C    17.6269  -18.7706
            6   C1y C    16.4432  -18.0849
            7   C1x C    18.8246  -16.6788
            8   C1x C    18.8246  -18.0503
            9   C2y C    20.0152  -18.7361
            10  C1x C    20.0152  -15.9931
            11  C1z C    21.1988  -16.6788
            12  C1y C    21.1930  -18.0503
            13  C1x C    23.5684  -18.0605
            14  C1x C    23.5744  -16.6890
            15  C1y C    22.3896  -15.9983
            16  C1c C    22.3954  -14.6268
            17  C1b C    23.5764  -13.9429
            18  C2b C    18.8324  -20.7961
            19  C1a C    21.2086  -13.9392
            20  C2b C    19.9853  -20.0889
            21  O1a O    16.4449  -16.7134
            22  O1a O    14.0652  -20.8283
            23  C2a C    17.6194  -17.3923
            24  C1a C    21.1867  -15.3074
            25  C1b C    24.7608  -14.6216
            26  C1b C    25.9453  -13.9359
            27  C1c C    27.1297  -14.6147
            28  C1a C    28.3152  -13.9253
            29  C1a C    27.1341  -15.9861
BOND        31
            1     9  12 1
            2     9  20 2
            3    11  10 1
            4    20  18 1
            5    10   7 1
            6     4   5 1
            7     5   6 1
            8    16  19 1 #Down
            9     6   1 1
            10    1   2 1
            11   11  12 1
            12   13  14 1
            13   18   4 2
            14   14  15 1
            15    6  21 1 #Down
            16   15  11 1
            17    2  22 1 #Up
            18   12  13 1
            19    5  23 2
            20    2   3 1
            21   11  24 1 #Up
            22   15  16 1
            23   17  25 1
            24    3   4 1
            25   25  26 1
            26   16  17 1
            27   26  27 1
            28    7   8 1
            29   27  28 1
            30    8   9 1
            31   27  29 1


entry: D01519
formula: C16H22N2O3
remark: Therapeutic category: 1219 1239
name:
--- 
- Ethyl piperidinoacetylaminobenzoate (JAN)
- Ethyl p-(2-piperidinoacetamido)benzoate
- Nichicaine (TN)
- Sulcain (TN)

kcf:
ATOM        21
            1   C1x C    14.4832  -17.0470
            2   C1x C    14.4832  -15.6442
            3   C1x C    15.7009  -14.9428
            4   N1y N    16.9116  -15.6442
            5   C1x C    16.9116  -17.0470
            6   C1x C    15.7009  -17.7484
            7   C1b C    18.1177  -14.9498
            8   C5a C    19.3292  -15.6512
            9   N1b N    20.5407  -14.9569
            10  C8y C    21.7522  -15.6583
            11  C8x C    22.9654  -14.9598
            12  C8x C    24.1769  -15.6612
            13  C8y C    24.1752  -17.0611
            14  C8x C    22.9620  -17.7596
            15  C8x C    21.7505  -17.0582
            16  C7a C    25.3867  -17.7625
            17  O7a O    26.5982  -17.0683
            18  C1b C    27.8097  -17.7697
            19  C1a C    29.0212  -17.0752
            20  O5a O    19.3261  -17.0540
            21  O7a O    25.3836  -19.1653
BOND        22
            1     4   5 1
            2     5   6 1
            3     6   1 1
            4     4   7 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   2 1
            12   13  16 1
            13    7   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 1
            20    8  20 2
            21    9  10 1
            22   16  21 2


entry: D01520
name: --- - Levomepromazine hydrochloride (JAN/USAN) - Nozinan (TN)
formula: C19H24N2OS. HCl
activity: Analgesic [central nervous system depressant]
remark: Therapeutic category: 1172
kcf:
ATOM        24
            1   S2x S    22.4684  -23.2234
            2   N1y N    22.4684  -20.4199
            3   C8y C    23.6782  -21.1208
            4   C8y C    23.6723  -22.5226
            5   C8x C    24.8832  -23.2285
            6   C8x C    26.1001  -22.5330
            7   C8y C    26.1060  -21.1312
            8   C8x C    24.8951  -20.4252
            9   C8y C    21.2515  -22.5226
            10  C8y C    21.2515  -21.1208
            11  C8x C    20.0374  -20.4199
            12  C8x C    18.8236  -21.1208
            13  C8x C    18.8236  -22.5226
            14  C8x C    20.0374  -23.2234
            15  C1b C    22.4621  -19.0252
            16  C1c C    23.6728  -18.3243
            17  C1b C    23.6728  -16.9295
            18  N1c N    24.8834  -16.2286
            19  C1a C    24.8834  -14.8340
            20  C1a C    24.8871  -19.0243
            21  C1a C    26.0977  -16.9288
            22  O2a O    27.3240  -20.4348
            23  C1a C    28.5257  -21.1356
            24  X   Cl   32.5418  -20.6190
BOND        25
            1     3   2 1
            2     2  10 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 2
            10    2  15 1
            11    4   5 1
            12   15  16 1
            13    5   6 2
            14   16  17 1
            15    6   7 1
            16   17  18 1
            17    7   8 2
            18   18  19 1
            19    8   3 1
            20   16  20 1 #Up
            21   18  21 1
            22    9   1 1
            23    1   4 1
            24    7  22 1
            25   22  23 1


entry: D01521
name: --- - Pipethanate hydrochloride (JAN) - Glymor(TN)
formula: C21H26NO3. Cl
remark: Therapeutic category: 2329 2399
comment: Component of Irricolon M (TN), Geschwur (TN), Irricolon M (TN)
kcf:
ATOM        26
            1   C8x C     5.7500  -53.3583
            2   C8x C     5.7500  -54.1833
            3   C8x C     6.4662  -54.5958
            4   C8x C     7.1782  -54.1833
            5   C8y C     7.1782  -53.3583
            6   C8x C     6.4662  -52.9458
            7   C1d C     7.8930  -52.9464
            8   C8y C     8.6071  -53.3594
            9   C8x C     8.6033  -54.1832
            10  C8x C     9.3174  -54.5963
            11  C8x C    10.0322  -54.1843
            12  C8x C    10.0328  -53.3593
            13  C8x C     9.3186  -52.9463
            14  C7a C     7.8936  -52.1214
            15  O7a O     8.6084  -51.7094
            16  O7a O     7.1794  -51.7083
            17  C1b C     8.6090  -50.8844
            18  C1b C     9.3238  -50.4724
            19  N2y N     9.3244  -49.6474 #+
            20  C1x C    10.0396  -49.2397
            21  C1x C    10.0402  -48.4147
            22  C1x C     9.3260  -48.0017
            23  C1x C     8.6113  -48.4137
            24  C1x C     8.6106  -49.2387
            25  O1a O     7.8875  -53.7708
            26  X   Cl   10.9625  -49.6083 #-
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    14  16 2
            9    15  17 1
            10    7   8 1
            11   17  18 1
            12    1   2 2
            13   18  19 1
            14    2   3 1
            15    3   4 2
            16    4   5 1
            17    5   6 2
            18    8   9 2
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  19 1
            25    9  10 1
            26    7  25 1
            27   10  11 2


entry: D01522
name: --- - Tiapride hydrochloride (JAN) - Gramalil (TN)
formula: C15H25N2O4S. Cl
remark: Therapeutic category: 1190
kcf:
ATOM        23
            1   S4a S     1.9871   -6.0166
            2   C1a C     1.1680   -6.0166
            3   O3c O     1.9871   -5.1974
            4   O3c O     1.9836   -6.8390
            5   C8y C     2.8162   -6.0132
            6   C8x C     3.2277   -6.7316
            7   C8x C     4.0568   -6.7282
            8   C8x C     3.2219   -5.2943
            9   C8y C     4.0510   -5.2910
            10  C8y C     4.4648   -6.0065
            11  O2a O     5.2898   -6.0075
            12  C5a C     4.4665   -4.5764
            13  N1b N     5.2915   -4.5774
            14  O5a O     4.0507   -3.8573
            15  C1a C     5.7015   -6.7266
            16  C1b C     5.7049   -3.8634
            17  C1b C     6.5299   -3.8644
            18  N1c N     6.9432   -3.1505 #+
            19  C1b C     7.7682   -3.1515
            20  C1a C     8.1816   -2.4375
            21  C1b C     6.5316   -2.4355
            22  C1a C     6.9450   -1.7215
            23  X   Cl    6.8417   -5.0833 #-
BOND        22
            1     9   8 2
            2     8   5 1
            3     1   5 1
            4     1   2 1
            5    12  14 2
            6     1   3 2
            7     9  10 1
            8    10  11 1
            9    11  15 1
            10   13  16 1
            11   16  17 1
            12   13  12 1
            13   17  18 1
            14   12   9 1
            15   18  19 1
            16    1   4 2
            17   19  20 1
            18    5   6 2
            19   18  21 1
            20    6   7 1
            21   21  22 1
            22    7  10 2


entry: D01523
name: --- - Arbekacin sulfate (JP15) - Habekacin (TN)
formula: C22H44N6O10. H2SO4
remark: Therapeutic category: 6119
kcf:
ATOM        43
            1   O1d O    32.3166  -17.1850
            2   S4a S    33.7115  -17.1850
            3   O3c O    33.7745  -18.5798
            4   O1d O    35.1063  -17.1850
            5   O3c O    33.7745  -15.7902
            6   O2a O    24.0155  -13.9248
            7   C1y C    25.2255  -13.2121
            8   O2x O    26.4372  -13.9099
            9   C1y C    27.6402  -13.1972
            10  C1x C    27.6305  -11.7953
            11  C1x C    26.4178  -11.1063
            12  C1y C    25.2078  -11.8120
            13  C1b C    28.8600  -13.8931
            14  N1a N    28.8696  -15.2949
            15  N1a N    23.9859  -11.1266
            16  C1y C    24.0348  -15.3265
            17  C1y C    25.2588  -16.0079
            18  C1x C    25.2759  -17.4121
            19  C1y C    24.0723  -18.1290
            20  C1y C    22.8483  -17.4405
            21  C1y C    22.8276  -16.0425
            22  N1a N    26.4648  -15.2951
            23  N1b N    24.0899  -19.5307
            24  O1a O    21.6027  -15.3627
            25  O2a O    21.6431  -18.1620
            26  C1y C    20.4333  -18.8666
            27  C1y C    20.4422  -20.2677
            28  C1y C    19.2325  -20.9793
            29  C1y C    18.0208  -20.2829
            30  C1y C    18.0120  -18.8820
            31  O2x O    19.2147  -18.1773
            32  O1a O    21.6616  -20.9644
            33  O1a O    16.8102  -20.9950
            34  C1b C    16.7925  -18.1922
            35  N1a N    19.2413  -22.3812
            36  O1a O    15.5819  -18.8972
            37  C5a C    25.2962  -20.2265
            38  C1c C    26.5079  -19.5290
            39  C1b C    27.7125  -20.2265
            40  C1b C    28.9242  -19.5290
            41  N1a N    30.1358  -20.2265
            42  O5a O    25.2957  -21.6284
            43  O1a O    26.5079  -18.1271
BOND        44
            1     2   3 2
            2     2   4 1
            3     1   2 1
            4     2   5 2
            5     9  10 1
            6    17  22 1 #Up
            7    10  11 1
            8    19  23 1 #Up
            9    11  12 1
            10   21  24 1 #Up
            11   12   7 1
            12   20  25 1 #Down
            13   16   6 1 #Down
            14   26  25 1 #Down
            15    9  13 1 #Up
            16    7   6 1 #Down
            17   13  14 1
            18   12  15 1 #Down
            19   26  27 1
            20   27  28 1
            21   28  29 1
            22   29  30 1
            23   30  31 1
            24   31  26 1
            25   27  32 1 #Down
            26   29  33 1 #Down
            27   30  34 1 #Up
            28   28  35 1 #Up
            29    7   8 1
            30   34  36 1
            31    8   9 1
            32   23  37 1
            33   16  17 1
            34   37  38 1
            35   17  18 1
            36   38  39 1
            37   18  19 1
            38   39  40 1
            39   19  20 1
            40   40  41 1
            41   20  21 1
            42   37  42 2
            43   21  16 1
            44   38  43 1 #Up


entry: D01524
name: --- - Alloclamide hydrochloride (JAN)
formula: C16H23ClN2O2. HCl
remark: Therapeutic category: 2229
kcf:
ATOM        22
            1   C8y C    18.4755  -16.3001
            2   C8x C    18.4755  -17.7015
            3   C8x C    17.2589  -18.4022
            4   C8y C    16.0494  -17.7015
            5   C8x C    16.0494  -16.3001
            6   C8y C    17.2589  -15.5994
            7   C5a C    19.6858  -15.5994
            8   N1b N    20.8961  -16.2929
            9   C1b C    22.1065  -15.5922
            10  C1b C    23.3168  -16.2860
            11  N1c N    24.5271  -15.5853
            12  C1b C    25.7374  -16.2788
            13  O5a O    19.6828  -14.1979
            14  C1b C    24.5240  -14.1838
            15  C1a C    25.7362  -13.4804
            16  C1a C    26.9489  -15.5742
            17  O2a O    17.2572  -14.1979
            18  C1b C    18.4701  -13.4957
            19  C2b C    18.4682  -12.0943
            20  C2a C    19.6811  -11.3920
            21  X   Cl   14.8354  -18.4014
            22  X   Cl   25.9786  -18.3348
BOND        21
            1     3   4 2
            2    10  11 1
            3     4   5 1
            4    11  12 1
            5     5   6 2
            6     7  13 2
            7     6   1 1
            8    11  14 1
            9    14  15 1
            10    1   7 1
            11   12  16 1
            12    6  17 1
            13    7   8 1
            14   17  18 1
            15    1   2 2
            16   18  19 1
            17    8   9 1
            18   19  20 2
            19    2   3 1
            20    4  21 1
            21    9  10 1


entry: D01525
name: --- - Carbazochrome sodium sulfonate (JP15) - Auzei (TN)
formula: C10H11N4O5S. Na
remark: Therapeutic category: 3321
kcf:
ATOM        21
            1   C5x C    24.7069  -15.0967
            2   C2y C    24.7069  -16.4966
            3   C2x C    25.9221  -17.1965
            4   C2x C    25.9221  -14.3968
            5   C2y C    27.1303  -15.0967
            6   C2y C    27.1943  -16.5000
            7   C1x C    28.4572  -16.9393
            8   C1y C    29.2866  -15.8073
            9   N1y N    28.4667  -14.6686
            10  C1a C    28.9048  -13.3391
            11  S4a S    30.6864  -15.8131
            12  O3c O    30.6741  -17.2106
            13  O3c O    30.6741  -14.4108
            14  O0  O    32.0809  -15.8107 #-
            15  N2b N    23.4949  -17.1970
            16  O5x O    23.4949  -14.3961
            17  N1b N    22.2823  -16.4978
            18  C5a C    21.0703  -17.1984
            19  N1a N    19.8576  -16.4989
            20  O5a O    21.0710  -18.5982
            21  Z   Na   34.3291  -15.8036 #+
BOND        21
            1     5   4 2
            2     9  10 1
            3     4   1 1
            4     8  11 1
            5    11  12 2
            6    11  13 2
            7     1   2 1
            8    11  14 1
            9     2   3 1
            10    2  15 2
            11    3   6 2
            12    1  16 2
            13    5   6 1
            14   15  17 1
            15    6   7 1
            16   17  18 1
            17    7   8 1
            18   18  19 1
            19    8   9 1
            20   18  20 2
            21    9   5 1


entry: D01526
name: --- - Sulfisomidine (JAN) - Sulfisomidine (TN)
formula: C12H14N4O2S
remark: Therapeutic category: 2633
kcf:
ATOM        19
            1   C8x C    30.5011  -17.7772
            2   C8y C    30.5011  -19.1773
            3   C8x C    29.2858  -19.8773
            4   C8x C    28.0775  -19.1773
            5   C8y C    28.0775  -17.7772
            6   C8x C    29.2858  -17.0772
            7   S4a S    26.8645  -17.0783
            8   N1b N    25.6527  -17.7791
            9   O3c O    25.6576  -16.3703
            10  O3c O    28.0829  -16.3772
            11  C8y C    24.4396  -17.0800
            12  C8x C    23.2312  -17.7812
            13  C8y C    22.0184  -17.0822
            14  N5x N    22.0172  -15.6821
            15  C8y C    23.2292  -14.9811
            16  N5x N    24.4422  -15.6803
            17  C1a C    23.2282  -13.5811
            18  C1a C    20.8064  -17.7830
            19  N1a N    31.7133  -19.8780
BOND        20
            1     3   4 2
            2     7  10 2
            3     4   5 1
            4     8  11 1
            5     5   6 2
            6     6   1 1
            7     5   7 1
            8     1   2 2
            9    11  12 2
            10   12  13 1
            11   13  14 2
            12   14  15 1
            13   15  16 2
            14   16  11 1
            15    7   8 1
            16   15  17 1
            17    2   3 1
            18   13  18 1
            19    7   9 2
            20    2  19 1


entry: D01528
name: --- - Cefroxadine (USAN) - Cefthan-DS (TN) - CXD
formula: C16H19N3O5S
activity: Antibacterial
remark: Same as: C12979 Therapeutic category: 6132
comment: semisynthetic cephalosporin: narrow spectrum cephalosporin
kcf:
ATOM        25
            1   C1y C    29.5869  -14.8856
            2   N1y N    29.5869  -16.2841
            3   C2y C    30.7981  -16.9832
            4   C2y C    32.0093  -16.2841
            5   C1x C    32.0093  -14.8856
            6   S2x S    30.7981  -14.1863
            7   C1y C    28.1883  -14.8856
            8   C5x C    28.1883  -16.2841
            9   N1b N    26.9774  -14.1863
            10  C5a C    25.7660  -14.8856
            11  O5a O    25.7660  -16.2841
            12  O5x O    26.9774  -16.9832
            13  C1c C    24.5549  -14.1863
            14  O2a O    33.2391  -16.9943
            15  C6a C    30.7981  -18.3815
            16  O6a O    29.5701  -19.0907
            17  O6a O    31.9923  -19.0712
            18  C2y C    23.3242  -14.8972
            19  C1x C    22.1144  -14.1987
            20  C2x C    20.9048  -14.8972
            21  C2x C    20.9048  -16.2938
            22  C1x C    22.1144  -16.9924
            23  C2x C    23.3242  -16.2938
            24  N1a N    24.5549  -12.7831
            25  C1a C    34.4529  -16.2937
BOND        27
            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   20  21 2
            23   21  22 1
            24   22  23 1
            25   18  23 2
            26   13  24 1 #Up
            27   14  25 1


entry: D01529
name: --- - Gefarnate (JAN) - Gefanil (TN)
formula: C27H44O2
remark: Therapeutic category: 2329
kcf:
ATOM        29
            1   C2c C    19.6197  -11.6200
            2   C2b C    20.8322  -12.3200
            3   C1b C    22.0446  -11.6200
            4   C1b C    23.2570  -12.3200
            5   C2c C    24.4695  -11.6200
            6   C2b C    25.6819  -12.3200
            7   C1b C    26.8944  -11.6200
            8   O7a O    28.1068  -12.3200
            9   C7a C    29.3192  -11.6200
            10  C1b C    30.5317  -12.3200
            11  C1b C    31.7441  -11.6200
            12  C2b C    32.9565  -12.3200
            13  C2c C    34.1690  -11.6200
            14  C1b C    35.3814  -12.3200
            15  C1b C    36.5938  -11.6200
            16  C2b C    37.8063  -12.3200
            17  C2c C    39.0187  -11.6200
            18  C1a C    40.2311  -12.3200
            19  O7a O    29.3192  -10.2200
            20  C1a C    24.4695  -10.2203
            21  C1a C    19.6197  -10.2201
            22  C1a C    18.3926  -12.3286
            23  C1a C    34.1690  -10.2200
            24  C1a C    39.0187  -10.2203
            25  C1b C    30.5317  -12.3200
            26  C1b C    31.7441  -11.6200
            27  C2b C    32.9565  -12.3200
            28  C2c C    34.1690  -11.6200
            29  C1a C    34.1690  -10.2200
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9    14  15 1
            10   15  16 1
            11   16  17 2
            12   17  18 1
            13    9  19 2
            14    5  20 1
            15    1  21 1
            16    1  22 1
            17   17  24 1
            18    9  10 1
            19   10  11 1
            20   11  12 1
            21   12  13 2
            22   13  23 1
            23   13  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 2
            27   28  29 1
            28   28  14 1


entry: D01531
name: --- - Pipemidic acid trihydrate (JP15) - Karunomazin (TN) - PPA
formula: C14H17N5O3. 3H2O
remark: Therapeutic category: 6241
kcf:
ATOM        25
            1   N5x N    19.7420  -18.1466
            2   C8y C    19.7420  -19.5478
            3   N5x N    20.9525  -20.2450
            4   C8x C    20.9525  -17.4423
            5   C8y C    22.1629  -18.1466
            6   C8y C    22.1570  -19.5478
            7   N4y N    23.3685  -20.2503
            8   C8x C    24.5860  -19.5582
            9   C8y C    24.5921  -18.1569
            10  C8y C    23.3805  -17.4476
            11  O5x O    23.3864  -16.0461
            12  C6a C    25.8095  -17.4579
            13  O6a O    27.0211  -18.1672
            14  O6a O    25.8156  -16.0564
            15  N1y N    18.5279  -20.2457
            16  C1b C    23.3626  -21.6446
            17  C1a C    22.1521  -22.3365
            18  C1x C    17.3193  -19.5396
            19  C1x C    16.1051  -20.2372
            20  N1x N    16.1024  -21.6377
            21  C1x C    17.3137  -22.3404
            22  C1x C    18.5279  -21.6426
            23  O0  O    31.7128  -19.3648
            24  O0  O    31.7128  -19.3648
            25  O0  O    31.7128  -19.3648
BOND        24
            1     9  12 1
            2    12  13 1
            3     1   2 1
            4    12  14 2
            5     2   3 2
            6     2  15 1
            7     3   6 1
            8     7  16 1
            9     5   4 1
            10   16  17 1
            11    5   6 2
            12    6   7 1
            13    7   8 1
            14    8   9 2
            15    9  10 1
            16   15  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  15 1
            22   10   5 1
            23    4   1 2
            24   10  11 2


entry: D01532
name: --- - Bevonium methylsulfate (JAN) - Bevonium methyl sulfate - Bevonium metiylsulfate
formula: C22H28NO3. CH3SO4
kcf:
ATOM        32
            1   C8x C    19.8890  -18.4372
            2   C8x C    19.8890  -19.8393
            3   C8x C    21.1062  -20.5404
            4   C8x C    22.3162  -19.8393
            5   C8y C    22.3162  -18.4372
            6   C8x C    21.1062  -17.7363
            7   C1d C    23.5310  -17.7373
            8   C8y C    24.7447  -18.4391
            9   C7a C    23.5320  -16.3352
            10  C8x C    24.7381  -19.8391
            11  C8x C    25.9518  -20.5412
            12  C8x C    27.1664  -19.8410
            13  C8x C    27.1674  -18.4389
            14  C8x C    25.9538  -17.7371
            15  O7a O    24.7467  -15.6351
            16  O7a O    22.3184  -15.6333
            17  C1b C    24.7478  -14.2330
            18  C1y C    25.9625  -13.5329
            19  N2y N    27.1708  -14.2381 #+
            20  C1x C    28.3855  -13.5380
            21  C1x C    28.3866  -12.1359
            22  C1x C    27.1730  -11.4342
            23  C1x C    25.9583  -12.1341
            24  C1a C    25.9505  -14.9253
            25  C1a C    28.3793  -14.9322
            26  O1a O    22.3185  -17.0373
            27  S4a S    32.9136  -18.6860
            28  O3c O    32.9136  -17.2842
            29  O3c O    32.9136  -20.0877
            30  O2a O    31.5118  -18.6860
            31  O0  O    34.3152  -18.6860 #-
            32  C1a C    30.8311  -17.5066
BOND        33
            1     5   7 1
            2     9  15 1
            3     9  16 2
            4     7   8 1
            5    15  17 1
            6     1   2 2
            7    17  18 1
            8     7   9 1
            9     2   3 1
            10    3   4 2
            11    4   5 1
            12    5   6 2
            13   18  19 1
            14   19  20 1
            15   20  21 1
            16   21  22 1
            17   22  23 1
            18   23  18 1
            19    6   1 1
            20   19  24 1
            21    8  10 2
            22   19  25 1
            23   10  11 1
            24   11  12 2
            25   12  13 1
            26   13  14 2
            27   14   8 1
            28    7  26 1
            29   27  28 2
            30   27  29 2
            31   27  30 1
            32   27  31 1
            33   30  32 1


entry: D01533
name: --- - Mestanolone (JAN) - Mesanolon (TN)
formula: C20H32O2
remark: Therapeutic category: 2449
kcf:
ATOM        22
            1   C1x C    22.1433  -19.7324
            2   C5x C    22.1433  -21.1007
            3   C1x C    23.3312  -21.7849
            4   C1x C    23.3312  -19.0482
            5   C1z C    24.5121  -19.7324
            6   C1y C    24.5063  -21.1007
            7   C1x C    25.6884  -21.7899
            8   C1x C    26.8762  -21.1108
            9   C1y C    25.7000  -19.0534
            10  C1y C    26.8762  -19.7453
            11  C1x C    26.8986  -17.0160
            12  C1x C    25.7113  -17.6885
            13  C1z C    28.0751  -17.7079
            14  C1y C    28.0585  -19.0685
            15  C1x C    30.4151  -19.0972
            16  C1x C    30.4316  -17.7365
            17  C1z C    29.2616  -17.0420
            18  O1a O    29.2780  -15.3937
            19  C1a C    28.0658  -16.3393
            20  C1a C    24.4998  -18.3641
            21  C1a C    30.4432  -16.3461
            22  O5x O    20.9586  -21.7855
BOND        25
            1    11  12 1
            2    12   9 1
            3     2   3 1
            4     3   6 1
            5     5   6 1
            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   17  18 1 #Up
            15    9   5 1
            16   13  19 1 #Up
            17    5   4 1
            18    4   1 1
            19    5  20 1 #Up
            20    1   2 1
            21    9  10 1
            22   10  14 1
            23   17  21 1 #Down
            24   13  11 1
            25    2  22 2


entry: D01534
formula: C23H36O3
activity: Antineoplastic
remark: Therapeutic category: 2469
name:
--- 
- Drostanolone propionate (JAN)
- Dromostanolone propionate (USAN)
- Drolban (TN)
- Masteron (TN)

kcf:
ATOM        26
            1   C1y C    25.3301  -17.1013
            2   C5x C    25.3301  -18.4734
            3   C1x C    26.5212  -19.1595
            4   C1x C    26.5212  -16.4152
            5   C1z C    27.7054  -17.1013
            6   C1y C    27.6996  -18.4734
            7   C1x C    28.8849  -19.1645
            8   C1x C    30.0761  -18.4836
            9   C1y C    28.8966  -16.4202
            10  C1y C    30.0761  -17.1143
            11  C1x C    30.0986  -14.3772
            12  C1x C    28.9079  -15.0518
            13  C1z C    31.2783  -15.0713
            14  C1y C    31.2617  -16.4355
            15  C1x C    33.6949  -16.4641
            16  C1x C    33.6414  -15.0999
            17  C1y C    32.4682  -14.4033
            18  C1a C    31.2690  -13.6986
            19  C1a C    27.6931  -15.7292
            20  C1a C    24.1420  -16.4145
            21  O5x O    24.1420  -19.1600
            22  O7a O    32.4846  -13.0313
            23  C7a C    33.6813  -12.3597
            24  C1b C    34.8612  -13.0601
            25  O7a O    33.6980  -10.9876
            26  C1a C    36.0577  -12.3885
BOND        29
            1     5   6 1
            2     6   7 1
            3     7   8 1
            4    13  14 1
            5    15  16 1
            6    16  17 1
            7    17  13 1
            8    14  15 1
            9     8  10 1
            10   13  18 1 #Up
            11    9   5 1
            12    5  19 1 #Up
            13    5   4 1
            14    1  20 1 #Down
            15    4   1 1
            16    2  21 2
            17   17  22 1 #Up
            18    1   2 1
            19   22  23 1
            20    9  10 1
            21   23  24 1
            22   10  14 1
            23   23  25 2
            24   13  11 1
            25   24  26 1
            26   11  12 1
            27   12   9 1
            28    2   3 1
            29    3   6 1


entry: D01535
name: --- - Sizofiran (JAN) - Sonifilan (TN)
formula: (C24H40O20)n
remark: Therapeutic category: 4299
kcf:
ATOM        46
            1   C1b C    25.6526  -16.2770
            2   C1y C    27.9946  -18.9785
            3   C1y C    29.1609  -18.3024
            4   O2a O    27.9946  -21.3463
            5   C1y C    26.8228  -18.3024
            6   C1y C    29.1609  -16.9559
            7   O1a O    30.3272  -18.9785
            8   C1y C    26.3439  -22.0225
            9   C1y C    26.8228  -16.9559
            10  O1a O    25.6565  -18.9785
            11  O2a O    30.3272  -16.2855
            12  O2x O    27.9946  -16.2855
            13  O2x O    25.1832  -21.3463
            14  C1y C    26.3439  -23.3689
            15  C1y C    30.3272  -14.4544
            16  C1y C    24.0114  -22.0225
            17  C1y C    25.1832  -24.0451
            18  O1a O    27.5157  -24.0451
            19  C1y C    29.1554  -13.7783
            20  C1y C    31.4879  -13.7783
            21  C1y C    24.0114  -23.3689
            22  C1b C    22.8451  -21.3463
            23  O1a O    25.1832  -25.3915
            24  C1y C    29.1554  -12.4317
            25  O1a O    27.9891  -14.4544
            26  C1x C    31.4879  -12.4317
            27  O1a O    32.6540  -14.4544
            28  O1a O    22.8451  -24.0451
            29  O1a O    21.6788  -22.0225
            30  O2x O    30.3272  -11.7557
            31  C1b C    27.9891  -11.7557
            32  Z   *    35.7225  -10.6357
            33  O1a O    26.8171  -12.4317
            34  O2a O    25.5854  -14.9291
            35  C1y C    24.4194  -14.2526
            36  O2x O    24.4261  -12.9119
            37  C1y C    23.2602  -12.2354
            38  C1y C    22.0913  -12.9071
            39  C1y C    22.0885  -14.2551
            40  C1y C    23.2545  -14.9313
            41  C1b C    23.2630  -10.8875
            42  O1a O    24.4317  -10.2159
            43  O1a O    20.9254  -12.2307
            44  O1a O    20.9198  -14.9266
            45  O1a O    23.2558  -16.2793
            46  Z   *    18.2070  -25.4278
BOND        49
            1    13  16 1
            2    14  17 1
            3    14  18 1 #Down
            4    15  19 1
            5    15  20 1
            6    16  21 1
            7    16  22 1 #Up
            8    17  23 1 #Up
            9    19  24 1
            10   19  25 1 #Down
            11   20  26 1
            12   20  27 1 #Down
            13   21  28 1 #Down
            14   22  29 1
            15   24  30 1
            16   24  31 1 #Up
            17   26  32 1
            18   31  33 1
            19    9  12 1
            20   17  21 1
            21   26  30 1
            22    9   1 1 #Up
            23    1  34 1
            24    2   3 1
            25   35  34 1 #Up
            26    2   4 1 #Up
            27    2   5 1
            28    3   6 1
            29    3   7 1 #Down
            30    8   4 1 #Up
            31   35  36 1
            32   36  37 1
            33   37  38 1
            34   38  39 1
            35   39  40 1
            36   40  35 1
            37    5   9 1
            38   37  41 1 #Up
            39    5  10 1 #Down
            40   41  42 1
            41    6  11 1 #Up
            42   38  43 1 #Down
            43    6  12 1
            44   39  44 1 #Up
            45    8  13 1
            46   40  45 1 #Down
            47    8  14 1
            48   23  46 1
            49   15  11 1 #Up


entry: D01536
name: --- - Hypromellose phthtalate (JP15/NF) - HP 55
formula: (C36H44O18)n
activity: Pharmaceutic aid [coating agent]
kcf:
ATOM        56
            1   Z   *    36.7237  -12.9613
            2   C1x C    29.4446  -12.9470
            3   O2x O    28.2604  -12.2613
            4   C1y C    29.4446  -14.3124
            5   C1y C    27.0772  -12.9470
            6   C1y C    28.2604  -14.9980
            7   O7a O    30.6337  -14.9980
            8   C1y C    27.0772  -14.3124
            9   C1b C    25.9114  -12.2613
            10  O2a O    28.2604  -16.3634
            11  O2a O    24.7157  -14.9921
            12  O2a O    24.8625  -13.1468
            13  C1y C    23.5254  -15.6778
            14  O2x O    22.3362  -14.9921
            15  C1y C    23.5254  -17.0432
            16  C1y C    21.1588  -15.6778
            17  C1y C    22.3362  -17.7288
            18  O2a O    24.7157  -17.7288
            19  C1y C    21.1588  -17.0432
            20  C1b C    19.9802  -14.9921
            21  O7a O    22.3362  -19.0944
            22  O1a O    19.9802  -17.7288
            23  O2a O    18.9430  -15.8705
            24  C7a C    30.6361  -16.4234
            25  C8y C    31.8755  -17.1338
            26  O7a O    29.4063  -17.1380
            27  C8y C    31.8703  -18.5566
            28  C8x C    33.1026  -19.2672
            29  C8x C    34.3396  -18.5525
            30  C8x C    34.3371  -17.1272
            31  C8x C    33.0976  -16.4166
            32  C1d C    17.5989  -15.3945
            33  C7a C    22.3244  -20.5184
            34  O7a O    21.0802  -21.2207
            35  C8y C    23.5494  -21.2414
            36  C8y C    23.5326  -22.6630
            37  C8x C    24.7648  -23.3859
            38  C8x C    26.0718  -22.6836
            39  C8x C    26.0137  -21.2583
            40  C8x C    24.7887  -20.5355
            41  C6a C    22.2961  -23.3619
            42  O6a O    21.0653  -22.6367
            43  O6a O    22.3515  -24.7872
            44  C1d C    23.5208  -12.6562
            45  C6a C    30.6313  -19.2680
            46  O6a O    29.4011  -18.5542
            47  O6a O    30.6300  -20.6934
            48  C1a C    27.0293  -17.0760
            49  C1a C    24.7023  -19.1495
            50  C1a C    16.4399  -16.2193
            51  C1a C    22.3603  -13.4856
            52  O1a O    16.2138  -15.0148
            53  O1a O    22.1999  -12.1192
            54  C1a C    17.5899  -13.9916
            55  C1a C    23.5073  -11.2539
            56  Z   *    12.7412  -17.7157
BOND        59
            1    28  29 2
            2    29  30 1
            3    30  31 2
            4    31  25 1
            5     5   9 1 #Up
            6    23  32 1
            7     6  10 1 #Up
            8     8  11 1 #Down
            9     9  12 1
            10   21  33 1
            11   13  11 1 #Up
            12   33  34 2
            13   13  14 1
            14   33  35 1
            15   13  15 1
            16   14  16 1
            17   15  17 1
            18   15  18 1 #Down
            19   16  19 1
            20   35  36 2
            21   36  37 1
            22   37  38 2
            23   38  39 1
            24   39  40 2
            25   40  35 1
            26   16  20 1 #Up
            27   36  41 1
            28   17  21 1 #Up
            29   41  42 1
            30   19  22 1 #Down
            31   41  43 2
            32   20  23 1
            33   12  44 1
            34    6   8 1
            35   17  19 1
            36    7  24 1
            37    2   1 1
            38   27  45 1
            39   24  25 1
            40   45  46 1
            41    2   3 1
            42   45  47 2
            43   24  26 2
            44   10  48 1
            45    2   4 1
            46   18  49 1
            47    3   5 1
            48   32  50 1
            49    4   6 1
            50   44  51 1
            51    4   7 1 #Down
            52   32  52 1
            53    5   8 1
            54   44  53 1
            55   32  54 1
            56   25  27 2
            57   44  55 1
            58   27  28 1
            59   22  56 1


entry: D01537
name: --- - Xaliproden hydrochloride (JAN) - SR 57746A
formula: C24H22F3N. HCl
kcf:
ATOM        29
            1   C8x C    17.4881  -21.4860
            2   C8x C    17.4881  -22.8903
            3   C8x C    18.7080  -23.5961
            4   C8x C    18.7080  -20.7873
            5   C8y C    19.9210  -21.4860
            6   C8y C    19.9151  -22.8903
            7   C8x C    21.1291  -23.6012
            8   C8x C    22.3492  -22.9007
            9   C8y C    22.3553  -21.4963
            10  C8x C    21.1411  -20.7926
            11  C1b C    23.5683  -20.8029
            12  C1b C    24.7823  -21.5066
            13  N1y N    26.0025  -20.8132
            14  C1x C    27.2167  -21.5169
            15  C1x C    25.9384  -19.4160
            16  C1x C    27.2214  -18.7224
            17  C2y C    28.4286  -19.4261
            18  C2x C    28.4227  -20.8234
            19  C8y C    29.6416  -18.7327
            20  C8x C    30.8421  -19.4346
            21  C8x C    32.0553  -18.7410
            22  C8x C    32.0612  -17.3438
            23  C8y C    30.8540  -16.6400
            24  C8x C    29.6410  -17.3336
            25  C1d C    30.8599  -15.2428
            26  X   F    32.2512  -15.2406
            27  X   F    29.4567  -15.2406
            28  X   F    30.8780  -13.8457
            29  X   Cl   30.8540  -22.0223
BOND        31
            1     4   1 1
            2    14  18 1
            3     5   6 1
            4    13  15 1
            5    15  16 1
            6     6   7 1
            7    16  17 1
            8     7   8 2
            9    17  18 2
            10    8   9 1
            11   17  19 1
            12    9  10 2
            13   10   5 1
            14    9  11 1
            15    1   2 2
            16   11  12 1
            17   19  20 2
            18   20  21 1
            19   21  22 2
            20   22  23 1
            21   23  24 2
            22   24  19 1
            23    2   3 1
            24   23  25 1
            25    3   6 2
            26   25  26 1
            27   12  13 1
            28   25  27 1
            29    5   4 2
            30   25  28 1
            31   13  14 1


entry: D01538
name: --- - Valethamate bromide (JAN) - Shinmetane (TN)
formula: C19H32NO2. Br
remark: Therapeutic category: 1231
kcf:
ATOM        23
            1   C1c C    22.4593  -18.0626
            2   C1c C    21.2273  -17.3839
            3   C8y C    22.4802  -19.4567
            4   C7a C    23.6543  -17.3431
            5   C1b C    20.0400  -18.1053
            6   C1a C    21.1983  -15.9876
            7   C8x C    21.2870  -20.1683
            8   C8x C    23.6992  -20.1366
            9   O7a O    24.8754  -18.0149
            10  O7a O    23.6254  -15.9468
            11  C1a C    18.8141  -17.4365
            12  C8x C    21.3029  -21.5655
            13  C8x C    23.7151  -21.5339
            14  C1b C    26.0706  -17.2955
            15  C8x C    22.5220  -22.2453
            16  C1b C    27.2945  -17.9722
            17  N1d N    28.4897  -17.2528 #+
            18  C1b C    29.7138  -17.9296
            19  C1b C    28.4608  -15.8566
            20  C1a C    28.4982  -18.7503
            21  C1a C    30.9088  -17.2100
            22  C1a C    27.2448  -15.1817
            23  X   Br   30.5452  -14.9889 #-
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   12  15 2
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   13  15 1


entry: D01539
name: --- - Lauromacrogol (JP15) - Laureth 4 (USAN) - Laureth 9 (USAN) - Brij 30 (TN)
formula: C12H26O(C2H4O)n
activity: Pharmaceutic aid [surfactant]; Spermaticide
remark: Same as: C12995 Therapeutic category: 7122
comment:
Laureth 4 is an average of n=4 Laureth 9 is an average of n=9 Component of Absorptive ointment [DR:D05354]

kcf:
ATOM        16
            1   C1a C    16.5900  -19.4116
            2   C1b C    17.8016  -18.7101
            3   C1b C    19.0131  -19.4116
            4   C1b C    20.2247  -18.7101
            5   C1b C    21.4363  -19.4116
            6   C1b C    22.6479  -18.7101
            7   C1b C    23.8594  -19.4116
            8   C1b C    25.0710  -18.7101
            9   C1b C    26.2826  -19.4116
            10  C1b C    27.4942  -18.7101
            11  C1b C    28.7057  -19.4116
            12  C1b C    29.9173  -18.7101
            13  O2a O    31.8289  -19.4116
            14  C1b C    33.0405  -18.7101
            15  C1b C    34.2520  -19.4116
            16  O1a O    36.3736  -18.6401
BOND        15
            1     8   9 1
            2     4   5 1
            3     9  10 1
            4     2   3 1
            5    10  11 1
            6     5   6 1
            7    11  12 1
            8     1   2 1
            9    12  13 1
            10    6   7 1
            11   13  14 1
            12    3   4 1
            13   14  15 1
            14    7   8 1
            15   15  16 1


entry: D01540
name: --- - Dimeticone (JAN) - Dimethicone (NF) - Dimethicone 350 (USAN) - Sentry dimethicone (TN)
formula: C4H12Si(C2H6OSi)n
activity: Lubricant and hydrophobing agent; Prosthetic aid [soft tissue]
remark: Therapeutic category: 2318
comment:
Dimethicone 350 is a poly(dimethylsiloxane) fluid with a viscosity of 350 centistokes at 25 degrees celsius.

kcf:
ATOM        9
            1   Z   Si   27.7200  -15.3300
            2   O2a O    29.1200  -15.3300
            3   C1a C    27.7200  -13.9300
            4   C1a C    27.7200  -16.7300
            5   Z   Si   24.9200  -15.3300
            6   C1a C    31.2900  -15.3300
            7   C1a C    23.5200  -15.3300
            8   C1a C    24.9200  -13.9300
            9   C1a C    24.9200  -16.7300
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     5   7 1
            7     5   8 1
            8     5   9 1


entry: D01541
name: --- - Cellulose acetate phthalate (JP15) - Cellacefate (NF)
formula: (C32H32O18)n
activity: Pharmaceutic aid [tablet coating agent]
kcf:
ATOM        52
            1   Z   *    37.6341  -11.2475
            2   C1x C    31.3679  -11.2839
            3   O2x O    30.2130  -10.6130
            4   C1y C    31.3679  -12.6197
            5   C1y C    29.0521  -11.2839
            6   C1y C    30.2130  -13.2907
            7   O7a O    32.5347  -13.2907
            8   C1y C    29.0521  -12.6197
            9   C1b C    27.9087  -10.6130
            10  O1a O    30.2130  -14.6264
            11  O2a O    27.9030  -13.2847
            12  C1y C    26.7421  -13.9557
            13  O2x O    25.5754  -13.2847
            14  C1y C    26.7421  -15.2914
            15  C1y C    24.4203  -13.9557
            16  C1y C    25.5754  -15.9623
            17  O1a O    27.9030  -15.9623
            18  C1y C    24.4203  -15.2914
            19  C1b C    23.2711  -13.2847
            20  O7a O    25.5754  -17.2983
            21  O1a O    23.2711  -15.9623
            22  C7a C    32.5370  -15.0288
            23  C8y C    33.7469  -15.7244
            24  O7a O    31.3295  -15.7286
            25  C8y C    33.7417  -17.1174
            26  C8x C    34.9516  -17.8132
            27  C8x C    36.1589  -17.1134
            28  C8x C    36.1566  -15.7178
            29  C8x C    34.9467  -15.0220
            30  C7a C    25.5633  -18.6925
            31  O7a O    24.3488  -19.3800
            32  C8y C    26.7661  -19.4007
            33  C8y C    26.7494  -20.7927
            34  C8x C    27.9520  -21.5008
            35  C8x C    29.1666  -20.8133
            36  C8x C    29.1785  -19.4176
            37  C8x C    27.9759  -18.7096
            38  C6a C    25.5353  -21.4767
            39  O6a O    24.3340  -20.7664
            40  O6a O    25.5206  -22.8724
            41  C6a C    32.5323  -17.8141
            42  O6a O    31.3243  -17.1151
            43  O6a O    32.5310  -19.2097
            44  Z   *    16.6097  -15.9424
            45  O7a O    22.0253  -13.9960
            46  C7a C    20.8365  -13.3018
            47  C1a C    19.6392  -13.9854
            48  O7a O    20.8434  -11.9001
            49  O7a O    26.6964  -11.3019
            50  C7a C    25.4551  -10.5743
            51  C1a C    24.2588  -11.2547
            52  O7a O    25.4642   -9.1701
BOND        55
            1     3   5 1
            2     4   6 1
            3     4   7 1 #Down
            4     5   8 1
            5    23  25 2
            6    25  26 1
            7    26  27 2
            8    27  28 1
            9    28  29 2
            10   29  23 1
            11    5   9 1 #Up
            12    6  10 1 #Up
            13   20  30 1
            14    8  11 1 #Down
            15   30  31 2
            16   30  32 1
            17   12  11 1 #Up
            18   12  13 1
            19   12  14 1
            20   13  15 1
            21   14  16 1
            22   32  33 2
            23   33  34 1
            24   34  35 2
            25   35  36 1
            26   36  37 2
            27   37  32 1
            28   14  17 1 #Down
            29   33  38 1
            30   15  18 1
            31   38  39 1
            32   15  19 1 #Up
            33   38  40 2
            34   16  20 1 #Up
            35   18  21 1 #Down
            36    6   8 1
            37   25  41 1
            38   16  18 1
            39   41  42 1
            40   41  43 2
            41    7  22 1
            42    2   1 1
            43   22  23 1
            44    2   3 1
            45   22  24 2
            46    2   4 1
            47   21  44 1
            48   19  45 1
            49   45  46 1
            50   46  47 1
            51   46  48 2
            52    9  49 1
            53   49  50 1
            54   50  51 1
            55   50  52 2


entry: D01542
formula: C18H36O2(C2H4O)n
activity: Pharmaceutic aid [surfactant]; Pharmaceutic aid [emulsifying agent]
remark: Therapeutic category: 2646
name:
--- 
- Polyoxyl 40 stearate (JP15/NF)
- Polyoxyl 8 stearate (USAN)
- Polyoxyl 50 stearate
- Emersal (TN)
- Myrj 53 (TN)

kcf:
ATOM        23
            1   C1a C    -0.4958    1.3708
            2   C1b C     0.2167    1.7833
            3   C1b C     0.9292    1.3750
            4   C1b C     1.6417    1.7875
            5   C1b C     2.3542    1.3792
            6   C1b C     3.0667    1.7917
            7   C1b C     3.7792    1.3833
            8   C1b C     4.4917    1.7958
            9   C1b C     5.2042    1.3875
            10  C1b C     5.9167    1.8000
            11  C1b C     6.6292    1.3917
            12  C1b C     7.3417    1.8042
            13  C1b C     8.0542    1.3958
            14  C1b C     8.7667    1.8083
            15  C1b C     9.4792    1.4000
            16  C1b C    10.1917    1.8125
            17  C1b C    10.9042    1.4042
            18  C7a C    11.6167    1.8167
            19  O7a O    12.6167    1.4083
            20  C1b C    13.3292    1.8208
            21  C1b C    14.0417    1.4125
            22  O1a O    15.0875    1.8250
            23  O7a O    11.6149    2.6417
BOND        22
            1    11  12 1
            2     1   2 1
            3    12  13 1
            4     6   7 1
            5    13  14 1
            6     3   4 1
            7    14  15 1
            8     7   8 1
            9    15  16 1
            10   16  17 1
            11    8   9 1
            12   17  18 1
            13    4   5 1
            14   18  19 1
            15    9  10 1
            16   19  20 1
            17    2   3 1
            18   20  21 1
            19   10  11 1
            20   21  22 1
            21    5   6 1
            22   18  23 2


entry: D01543
name: --- - Nylidrin hydrochloride (JAN) - Arlidin (TN)
formula: C19H26NO2. Cl
remark: Therapeutic category: 2172
kcf:
ATOM        23
            1   C8y C    29.8960  -16.6238
            2   C8x C    31.1072  -17.3250
            3   C8x C    32.3200  -16.6266
            4   C8x C    32.3217  -15.2271
            5   C8x C    31.1106  -14.5259
            6   C8x C    29.8977  -15.2242
            7   C8x C    18.9954  -17.3462
            8   C8y C    18.9954  -18.7486
            9   C8x C    20.2129  -19.4498
            10  C8x C    21.4232  -18.7486
            11  C8y C    21.4232  -17.3462
            12  C8x C    20.2129  -16.6450
            13  C1c C    22.6289  -16.6450
            14  C1c C    23.8401  -17.3391
            15  N1b N    25.0513  -16.6379 #+
            16  C1c C    26.2625  -17.3321
            17  C1b C    27.4736  -16.6309
            18  C1b C    28.6848  -17.3250
            19  O1a O    17.7773  -19.4427
            20  O1a O    22.6220  -15.2426
            21  C1a C    23.8432  -18.7415
            22  C1a C    26.2655  -18.7345
            23  X   Cl   26.6380  -15.1860 #-
BOND        23
            1    10  11 1
            2    11  12 2
            3    12   7 1
            4     5   6 2
            5    11  13 1
            6     6   1 1
            7    13  14 1
            8    14  15 1
            9    15  16 1
            10    1   2 2
            11   16  17 1
            12    2   3 1
            13   17  18 1
            14   18   1 1
            15    3   4 2
            16    8  19 1
            17    4   5 1
            18   13  20 1
            19    7   8 2
            20   14  21 1
            21    8   9 1
            22   16  22 1
            23    9  10 2


entry: D01544
formula: C6H12O6. C2H3O2. Na
remark: Therapeutic category: 2359
name:
--- 
- Carmellose sodium (JP15)
- Carboxymethylcellulose sodium (USP)
- Celluvisc (TN)
- C.M.C. (TN)

activity:
Pharmaceutic aid [suspending agent]; Phaemaceutic aid [tablet excipient]; Pharmaceutic aid [viscosity-inclreasing agent]

kcf:
ATOM        17
            1   C4a C    21.7650  -12.7237
            2   C1c C    20.5546  -12.0229
            3   C1c C    19.3441  -12.7237
            4   C1c C    18.1337  -12.0229
            5   C1c C    16.9232  -12.7237
            6   C1b C    15.7128  -12.0229
            7   O1a O    14.5023  -12.7237
            8   O4a O    21.7650  -14.1253
            9   O1a O    20.5546  -10.6214
            10  O1a O    19.3441  -14.1253
            11  O1a O    18.1337  -10.6214
            12  O1a O    16.9232  -14.1253
            13  C6a C    25.3900  -11.9354
            14  C1a C    26.6041  -12.6381
            15  O0  O    24.1820  -12.6381 #-
            16  O6a O    25.3900  -10.5356
            17  Z   Na   29.2137  -12.6934 #+
BOND        14
            1     2   3 1
            2     1   8 2
            3     2   9 1
            4     3   4 1
            5     3  10 1
            6     4  11 1
            7     4   5 1
            8     5  12 1
            9     1   2 1
            10    5   6 1
            11    6   7 1
            12   13  14 1
            13   13  15 1
            14   13  16 2


entry: D01545
name: --- - Aceclofenac (JAN) - Aceclofenac (TN)
formula: C16H13Cl2NO4
remark: Therapeutic category: 1149
kcf:
ATOM        23
            1   C8x C     4.2700   -9.5900
            2   C8x C     4.2700  -10.9900
            3   C8y C     5.4824  -11.6900
            4   C8y C     6.6949  -10.9900
            5   C8y C     6.6949   -9.5900
            6   C8x C     5.4824   -8.8900
            7   N1b N     7.9260  -11.7010
            8   C8y C     7.9257  -13.0899
            9   X   Cl    5.4824  -13.0898
            10  X   Cl    7.9260   -8.8790
            11  C8x C     6.7014  -13.7966
            12  C8x C     6.7012  -15.1966
            13  C8x C     7.9135  -15.8967
            14  C8x C     9.1379  -15.1901
            15  C8y C     9.1381  -13.7901
            16  C1b C    10.3743  -13.0762
            17  C7a C    11.5819  -13.7733
            18  O7a O    12.7631  -13.0912
            19  O7a O    11.5824  -15.1896
            20  C1b C    13.9576  -13.7809
            21  C6a C    15.1454  -13.0951
            22  O6a O    16.3365  -13.7829
            23  O6a O    15.1455  -11.6902
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     3   9 1
            10    5  10 1
            11    8  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    8  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2


entry: D01546
name: --- - Dosulepin hydrochloride (JAN) - Dothiepin hydrochloride (USAN) - Dosulepin (TN)
formula: C19H21NS. HCl
activity: Antidepressant
remark: Therapeutic category: 1179
kcf:
ATOM        22
            1   C1x C    12.0152  -14.6073
            2   C8y C    11.1708  -13.4947
            3   C8y C    11.5069  -12.1342
            4   C2y C    12.7714  -11.5545
            5   S2x S    13.4248  -14.6326
            6   C8y C    14.0283  -12.1785
            7   C8y C    14.3156  -13.5510
            8   C8x C    10.4970  -11.1631
            9   C8x C     9.1514  -11.5523
            10  C8x C     8.8153  -12.9128
            11  C8x C     9.8251  -13.8836
            12  C8x C    15.6504  -13.9893
            13  C8x C    16.6975  -13.0523
            14  C8x C    16.4104  -11.6798
            15  C8x C    15.0753  -11.2415
            16  C2b C    12.7231  -10.1758
            17  C1b C    13.9504   -9.4928
            18  C1b C    15.1220  -10.1942
            19  N1c N    16.3475   -9.5123
            20  C1a C    17.5856  -10.2529
            21  C1a C    16.3696   -8.1403
            22  X   Cl   19.6726  -12.7729
BOND        23
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    4  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1


entry: D01547
name: --- - Zaltoprofen (JP15) - Peon (TN) - CN 100
formula: C17H14O3S
remark: Therapeutic category: 1149
kcf:
ATOM        21
            1   S2x S    23.0504  -19.2510
            2   C8y C    24.3018  -19.2159
            3   C8y C    22.1775  -18.4128
            4   C8y C    25.2970  -18.3198
            5   C8x C    24.6394  -20.6246
            6   C8y C    22.1775  -17.0625
            7   C8x C    20.9959  -19.0880
            8   C1x C    25.2506  -16.9869
            9   C8x C    26.6299  -18.6981
            10  C8x C    25.9721  -21.0029
            11  C5x C    23.6034  -16.1023
            12  C8x C    21.0133  -16.3700
            13  C8x C    19.8202  -18.4012
            14  C8y C    26.9732  -20.0425
            15  C8x C    19.8318  -17.0392
            16  O5x O    23.6038  -14.7115
            17  C1c C    28.3122  -20.4248
            18  C6a C    28.6506  -21.7754
            19  O6a O    29.9896  -22.1577
            20  O6a O    27.6502  -22.7439
            21  C1a C    29.3126  -19.4561
BOND        23
            1     3   7 1
            2     4   8 1
            3     4   9 1
            4     5  10 2
            5     6  11 1
            6     6  12 1
            7     7  13 2
            8     9  14 2
            9    12  15 2
            10    8  11 1
            11   10  14 1
            12   13  15 1
            13   11  16 2
            14    1   2 1
            15   14  17 1
            16    1   3 1
            17   17  18 1
            18    2   4 2
            19   18  19 1
            20    2   5 1
            21   18  20 2
            22    3   6 2
            23   17  21 1


entry: D01548
name: --- - Mosapramine hydrochloride (JAN) - Cremin (TN)
formula: C28H35ClN4O. 2HCl
remark: Therapeutic category: 1179
kcf:
ATOM        36
            1   C1z C    21.3539  -18.4436
            2   N1y N    27.4079  -14.9864
            3   C1b C    27.4708  -16.3821
            4   C8y C    28.6622  -14.9514
            5   C8y C    26.5330  -14.1462
            6   C8y C    29.5897  -14.0530
            7   C8x C    29.0006  -16.3631
            8   C8y C    26.5330  -12.7929
            9   C8x C    25.3488  -14.8229
            10  C1x C    29.6131  -12.7171
            11  C8x C    30.9956  -14.4322
            12  C8x C    30.3364  -16.7422
            13  C1x C    27.9622  -11.8304
            14  C8x C    25.3662  -12.0987
            15  C8y C    24.1703  -14.1346
            16  C8x C    31.3397  -15.7796
            17  C8x C    24.1820  -12.7695
            18  C1b C    26.1887  -17.0738
            19  C1b C    24.9835  -16.3699
            20  N1y N    23.7714  -17.0616
            21  C1x C    22.5745  -16.3587
            22  C1x C    21.3622  -17.0505
            23  C1x C    22.5604  -19.1501
            24  C1x C    23.7726  -18.4583
            25  X   Cl   22.9568  -14.8243
            26  C1y C    19.5270  -19.7828
            27  N1y N    20.9160  -19.7821
            28  C5x C    20.2201  -17.6453
            29  N1x N    19.0970  -18.4622
            30  C1x C    18.8211  -20.9840
            31  C1x C    19.5106  -22.2001
            32  C1x C    20.9085  -22.2111
            33  C1x C    21.6171  -21.0059
            34  O5x O    20.2095  -16.2498
            35  X   Cl   28.5370  -19.9967
            36  X   Cl   28.5370  -19.9967
BOND        39
            1     4   7 1
            2    20  21 1
            3    21  22 1
            4    22   1 1
            5     1  23 1
            6    23  24 1
            7    24  20 1
            8     5   8 2
            9     5   9 1
            10    6  10 1
            11    6  11 1
            12    7  12 2
            13    8  13 1
            14    8  14 1
            15    9  15 2
            16   11  16 2
            17   14  17 2
            18   15  25 1
            19   10  13 1
            20   12  16 1
            21   15  17 1
            22    3  18 1
            23    2   3 1
            24   26  27 1
            25   28  29 1
            26   29  26 1
            27   18  19 1
            28   19  20 1
            29    2   4 1
            30    2   5 1
            31   26  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   33  27 1
            36    1  28 1
            37   27   1 1
            38    4   6 2
            39   28  34 2


entry: D01549
name: --- - Imidapril hydrochloride (JAN) - Tanatril (TN)
formula: C20H27N3O6. HCl
activity: Antihypertensive
remark: Therapeutic category: 2144
kcf:
ATOM        30
            1   N1y N    26.6037  -17.8471
            2   C1y C    26.7377  -16.4486
            3   C5a C    25.3916  -18.5638
            4   C5x C    27.8914  -18.4007
            5   C1x C    28.1013  -16.1398
            6   C6a C    26.2541  -15.3065
            7   C1c C    24.1737  -17.8763
            8   O5a O    25.4092  -19.9682
            9   N1y N    28.8180  -17.3460
            10  O6a O    24.7739  -15.3356
            11  O6a O    26.9650  -14.0537
            12  N1b N    22.9734  -18.5930
            13  C1a C    24.1563  -16.4719
            14  C1c C    21.7497  -17.8995
            15  C1b C    20.5435  -18.6163
            16  C7a C    21.7381  -16.0811
            17  C1b C    19.3197  -17.9287
            18  O7a O    20.5143  -15.3935
            19  O7a O    22.9326  -15.3702
            20  C8y C    18.1135  -18.6454
            21  C1b C    20.4969  -13.9950
            22  C8x C    16.8898  -17.9578
            23  C8x C    18.1311  -20.0439
            24  C1a C    19.2731  -13.3014
            25  C8x C    15.6836  -18.6746
            26  C8x C    16.9248  -20.7608
            27  C8x C    15.7010  -20.0732
            28  C1a C    30.2060  -17.4746
            29  O5x O    28.1983  -19.7607
            30  X   Cl   32.4390  -19.1831
BOND        30
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1 #Down
            5     3   7 1
            6     3   8 2
            7     4   9 1
            8     6  10 1
            9     6  11 2
            10    7  12 1
            11    7  13 1 #Up
            12   12  14 1
            13   14  15 1
            14   14  16 1 #Up
            15   15  17 1
            16   16  18 1
            17   16  19 2
            18   17  20 1
            19   18  21 1
            20   20  22 1
            21   20  23 2
            22   21  24 1
            23   22  25 2
            24   23  26 1
            25   25  27 1
            26    5   9 1
            27   26  27 2
            28    9  28 1
            29    4  29 2
            30    1   2 1


entry: D01550
name: --- - Liranaftate (JAN) - Zefnart (TN)
formula: C18H20N2O2S
remark: Therapeutic category: 2659
kcf:
ATOM        23
            1   C1x C    31.7323  -16.9596
            2   C8x C    20.8495  -17.6799
            3   C8y C    20.8495  -19.0759
            4   N5x N    22.0613  -19.7738
            5   C8y C    23.2661  -19.0759
            6   C8x C    23.2661  -17.6799
            7   C8x C    22.0613  -16.9819
            8   N1c N    24.4756  -19.7728
            9   C1a C    24.4766  -21.1688
            10  C2c C    25.6839  -19.0740
            11  O2a O    26.8934  -19.7711
            12  S0  S    25.6829  -17.6780
            13  C8y C    28.1019  -19.0721
            14  C8x C    29.3055  -19.7718
            15  C8x C    29.3035  -16.9799
            16  C8x C    28.0950  -17.6787
            17  C8y C    30.5079  -17.6723
            18  C8y C    30.5130  -19.0891
            19  C1x C    31.7423  -19.7931
            20  C1x C    32.9667  -19.0804
            21  C1x C    32.9618  -17.6636
            22  O2a O    19.6408  -19.7744
            23  C1a C    18.4315  -19.0769
BOND        25
            1    10  11 1
            2     4   5 2
            3    10  12 2
            4     5   6 1
            5    11  13 1
            6     6   7 2
            7     7   2 1
            8    13  14 2
            9    14  18 1
            10   17  15 1
            11   15  16 2
            12   16  13 1
            13    5   8 1
            14    8   9 1
            15    2   3 2
            16    8  10 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21   1 1
            22    1  17 1
            23    3   4 1
            24    3  22 1
            25   22  23 1


entry: D01551
name: --- - Beraprost sodium (JAN/USAN) - Procylin (TN)
formula: C24H29O5. Na
activity: Platelet aggregation inhibitor
remark: Therapeutic category: 3399
comment: platelet aggregation inhibitor
kcf:
ATOM        30
            1   C8y C    25.1008  -16.4402
            2   C8y C    25.8270  -17.6743
            3   C8x C    27.2590  -17.6623
            4   C8x C    27.9646  -16.4163
            5   C8x C    27.2382  -15.1822
            6   C8y C    25.8063  -15.1942
            7   C1y C    25.1299  -18.9157
            8   C1y C    23.8169  -18.4955
            9   C1y C    25.1241  -20.3047
            10  O2x O    23.8052  -17.0716
            11  C1x C    23.0114  -19.6220
            12  C1y C    23.8343  -20.7366
            13  C2b C    26.3263  -20.9876
            14  O1a O    23.3909  -22.0906
            15  C2b C    27.5169  -20.3047
            16  C1c C    28.7074  -20.9876
            17  C1c C    29.8980  -20.3047
            18  O1a O    28.7074  -22.3590
            19  C1b C    31.0885  -20.9876
            20  C3b C    32.2966  -20.3047
            21  C1a C    29.8980  -18.9084
            22  C1b C    25.0981  -13.9908
            23  C3b C    33.4996  -19.5995
            24  C1a C    34.7041  -18.8934
            25  C1b C    23.7300  -14.0025
            26  C1b C    23.0185  -12.7943
            27  C6a C    21.6300  -12.8063
            28  O0  O    20.9212  -11.6027 #-
            29  O6a O    20.9389  -14.0275
            30  Z   Na   18.1180  -11.6200 #+
BOND        31
            1     7   9 1
            2     7   2 1 #Down
            3     8  10 1 #Down
            4     8  11 1
            5     9  12 1
            6     9  13 1 #Up
            7    12  14 1 #Down
            8    13  15 2
            9    15  16 1
            10   16  17 1
            11   16  18 1 #Down
            12   17  19 1
            13   19  20 1
            14   10   1 1
            15   11  12 1
            16    5   6 2
            17   17  21 1
            18    6   1 1
            19    6  22 1
            20    1   2 2
            21    2   3 1
            22    3   4 2
            23    4   5 1
            24   20  23 3
            25    7   8 1
            26   23  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2


entry: D01552
name: --- - Edaravone (JAN) - Radicut (TN)
formula: C10H10N2O
remark: Same as: C13008 Therapeutic category: 1190
comment: free radical scavenger
kcf:
ATOM        13
            1   N1y N    30.6339  -15.5305
            2   C8y C    29.4278  -14.8294
            3   C5x C    31.7883  -14.7005
            4   N2x N    31.0277  -16.8662
            5   C8x C    29.4278  -13.4391
            6   C8x C    28.2218  -15.5305
            7   C1x C    32.8929  -15.5943
            8   O5x O    31.7623  -13.2795
            9   C2y C    32.4248  -16.9047
            10  C8x C    28.2218  -12.7439
            11  C8x C    27.0157  -14.8294
            12  C1a C    33.2137  -18.0662
            13  C8x C    27.0157  -13.4391
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 2
            10    6  11 1
            11    9  12 1
            12   10  13 1
            13    7   9 1
            14   11  13 2


entry: D01553
name: --- - Manidipine hydrochloride (JAN) - Calslot (TN)
formula: C35H38N4O6. 2HCl
remark: Therapeutic category: 2149
kcf:
ATOM        47
            1   C8x C    14.4900  -17.9200
            2   C8x C    14.4900  -16.5200
            3   C8y C    15.7500  -15.8200
            4   C8x C    16.9400  -16.5200
            5   C8y C    16.9400  -17.9200
            6   C8x C    15.7500  -18.6200
            7   C1y C    15.7500  -14.4200
            8   C2y C    14.4900  -13.7200
            9   C2y C    14.4900  -12.3200
            10  N1x N    15.7500  -11.6200
            11  C2y C    16.9400  -12.3200
            12  C2y C    16.9400  -13.7200
            13  C7a C    18.1300  -14.4200
            14  O7a O    19.3900  -13.7200
            15  C1b C    20.5800  -14.4200
            16  C1b C    21.7700  -13.7200
            17  N1y N    23.0300  -14.4200
            18  C1x C    24.2200  -13.7200
            19  C1x C    25.4100  -14.4200
            20  N1y N    25.4100  -15.8200
            21  C1x C    24.2200  -16.5200
            22  C1x C    23.0300  -15.8200
            23  O7a O    18.1300  -15.8200
            24  C1c C    26.6700  -16.5200
            25  C8y C    27.8600  -15.8200
            26  C8y C    26.6700  -17.9200
            27  C8x C    27.8600  -18.6200
            28  C8x C    27.8600  -20.0200
            29  C8x C    26.6000  -20.7200
            30  C8x C    25.4100  -20.0200
            31  C8x C    25.4100  -18.6200
            32  C8x C    27.8600  -14.4200
            33  C8x C    29.0500  -13.7200
            34  C8x C    30.2400  -14.4200
            35  C8x C    30.2400  -15.8200
            36  C8x C    29.0500  -16.5200
            37  C1a C    18.1300  -11.6200
            38  C1a C    13.3000  -11.6200
            39  C7a C    13.3000  -14.4200
            40  O7a O    13.3000  -15.8200
            41  O7a O    12.1100  -13.7200
            42  C1a C    10.8500  -14.4200
            43  N2b N    18.1300  -18.6200 #+
            44  O3a O    19.3900  -17.9200
            45  O0  O    18.2000  -20.0200 #-
            46  X   Cl   33.4600  -16.3800
            47  X   Cl   33.4600  -18.5500
BOND        49
            1    21  22 1
            2    22  17 1
            3     7   8 1
            4    13  23 2
            5     8   9 2
            6    20  24 1
            7     9  10 1
            8    24  25 1
            9    10  11 1
            10   24  26 1
            11   11  12 2
            12   12   7 1
            13    4   5 1
            14   12  13 1
            15    5   6 2
            16   26  27 2
            17   27  28 1
            18   28  29 2
            19   29  30 1
            20   30  31 2
            21   31  26 1
            22   13  14 1
            23    6   1 1
            24   14  15 1
            25   15  16 1
            26   25  32 2
            27   32  33 1
            28   33  34 2
            29   34  35 1
            30   35  36 2
            31   36  25 1
            32    3   7 1
            33   11  37 1
            34   16  17 1
            35    9  38 1
            36    8  39 1
            37   39  40 2
            38    1   2 2
            39   39  41 1
            40    2   3 1
            41   41  42 1
            42    3   4 2
            43    5  43 1
            44   17  18 1
            45   43  44 2
            46   18  19 1
            47   43  45 1
            48   19  20 1
            49   20  21 1


entry: D01554
name: --- - Pilsicainide hydrochloride (JAN) - Sunrythm (TN) - SUN 1165 (TN)
formula: C17H24N2O. HCl
remark: Therapeutic category: 2129
kcf:
ATOM        21
            1   C8y C    25.6856  -18.2365
            2   C8y C    26.8949  -18.9366
            3   C8x C    28.1058  -18.2394
            4   C8x C    28.1075  -16.8420
            5   C8x C    26.8982  -16.1419
            6   C8y C    25.6873  -16.8391
            7   N1y N    22.0546  -21.7434
            8   C1z C    22.0487  -20.3445
            9   C1x C    23.3831  -22.1706
            10  C1x C    20.7202  -22.1823
            11  C1x C    23.3773  -19.9056
            12  C1x C    20.7143  -19.9114
            13  C1x C    24.2025  -21.0351
            14  C1x C    19.8891  -21.0528
            15  C1b C    22.0482  -18.9443
            16  C5a C    23.2605  -18.2436
            17  O5a O    23.2602  -16.8434
            18  N1b N    24.4734  -18.9434
            19  C1a C    24.4754  -16.1377
            20  C1a C    26.8932  -20.3369
            21  X   Cl   30.9794  -19.9496
BOND        22
            1     6   1 1
            2     7   8 1
            3     7   9 1
            4     7  10 1
            5     8  11 1
            6     8  12 1
            7     9  13 1
            8    10  14 1
            9    11  13 1
            10   12  14 1
            11    8  15 1
            12   15  16 1
            13    1   2 2
            14   16  17 2
            15    2   3 1
            16   16  18 1
            17   18   1 1
            18    3   4 2
            19    6  19 1
            20    4   5 1
            21    2  20 1
            22    5   6 2


entry: D01555
name: --- - Ioversol (JAN/USP) - Optiray (TN)
formula: C18H24I3N3O9
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7219
kcf:
ATOM        33
            1   C5a C    24.2999  -13.9594
            2   N1b N    25.5147  -13.2600
            3   O5a O    23.0869  -13.2570
            4   C1b C    26.7203  -13.9594
            5   C1c C    27.9309  -13.2585
            6   C1b C    29.1415  -13.9594
            7   O1a O    30.3522  -13.2585
            8   O1a O    27.9309  -11.8567
            9   C8y C    24.2989  -15.3540
            10  C8y C    25.5166  -16.0549
            11  C8y C    25.5166  -17.4567
            12  C8y C    24.2997  -18.1576
            13  C8y C    23.0899  -17.4567
            14  C8y C    23.0899  -16.0549
            15  X   I    24.2980  -19.5593
            16  X   I    21.8754  -15.3550
            17  X   I    26.7303  -15.3535
            18  C5a C    21.8754  -18.1567
            19  N1b N    20.6670  -17.4497
            20  C1b C    19.4564  -18.1506
            21  C1c C    18.2457  -17.4497
            22  C1b C    17.0351  -18.1506
            23  O1a O    15.8245  -17.4497
            24  O5a O    21.9408  -19.5585
            25  O1a O    18.2457  -16.0479
            26  N1c N    26.7272  -18.1576
            27  C1b C    27.9379  -17.4638
            28  C1b C    29.1485  -18.1647
            29  C5a C    26.7201  -19.5524
            30  O5a O    25.5027  -20.2471
            31  C1b C    27.9306  -20.2594
            32  O1a O    30.3634  -17.4653
            33  O1a O    29.1586  -19.5588
BOND        33
            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   27  28 1
            16   13  14 1
            17   18  19 1
            18   14   9 2
            19   19  20 1
            20    9  10 1
            21   20  21 1
            22   21  22 1
            23   12  15 1
            24   22  23 1
            25   10  11 2
            26   18  24 2
            27   14  16 1
            28   26  29 1
            29   29  30 2
            30   29  31 1
            31    5   6 1
            32   28  32 1
            33   31  33 1


entry: D01556
name: --- - Trimethylcetylammonium pentachlorophenate (JAN)
formula: C19H42N. C6Cl5O
remark: Therapeutic category: 2659
kcf:
ATOM        32
            1   C8y C    17.3550  -15.0376
            2   C8y C    17.3550  -16.3703
            3   C8y C    16.1980  -14.3773
            4   O0  O    18.4939  -14.3773 #-
            5   C8y C    16.1980  -17.0428
            6   X   Cl   18.4999  -17.0245
            7   C8y C    15.0592  -15.0376
            8   X   Cl   16.1980  -13.0627
            9   C8y C    15.0592  -16.3703
            10  X   Cl   16.1980  -18.3571
            11  X   Cl   13.9203  -14.3773
            12  X   Cl   13.9141  -17.0245
            13  N1d N    22.6465  -15.7681 #+
            14  C1b C    23.8982  -15.0360
            15  C1b C    25.2898  -15.7607
            16  C1b C    26.6115  -15.0287
            17  C1a C    28.3532  -15.7533
            18  C1a C    21.6144  -14.7360
            19  C1a C    21.3874  -16.4853
            20  C1a C    23.0198  -17.1661
            21  C1b C    25.2898  -15.7607
            22  C1b C    26.6115  -15.0287
            23  C1b C    25.2898  -15.7607
            24  C1b C    26.6115  -15.0287
            25  C1b C    25.2898  -15.7607
            26  C1b C    26.6115  -15.0287
            27  C1b C    25.2898  -15.7607
            28  C1b C    26.6115  -15.0287
            29  C1b C    25.2898  -15.7607
            30  C1b C    26.6115  -15.0287
            31  C1b C    25.2898  -15.7607
            32  C1b C    26.6115  -15.0287
BOND        31
            1     2   6 1
            2     3   7 2
            3     3   8 1
            4     5   9 2
            5     5  10 1
            6     7  11 1
            7     9  12 1
            8     7   9 1
            9     1   2 2
            10    1   3 1
            11    1   4 1
            12    2   5 1
            13   13  18 1
            14   13  19 1
            15   13  14 1
            16   13  20 1
            17   16  17 1
            18   15  16 1
            19   15  22 1
            20   21  22 1
            21   21  24 1
            22   23  24 1
            23   23  26 1
            24   25  26 1
            25   25  28 1
            26   27  28 1
            27   27  30 1
            28   29  30 1
            29   29  32 1
            30   31  32 1
            31   31  14 1


entry: D01557
name: --- - Glycol salicylate (JAN) - Norgesic (TN) - Phlogont (TN)
formula: C9H10O4
remark: Therapeutic category: 2649
comment: Component of Air Salonpas (TN)
kcf:
ATOM        13
            1   C8y C    29.5221  -15.2210
            2   C8y C    30.7455  -15.9193
            3   C8x C    28.3177  -15.9193
            4   C7a C    29.5156  -13.8310
            5   C8x C    30.7455  -17.3285
            6   O1a O    31.9499  -15.2210
            7   C8x C    28.3177  -17.3285
            8   O7a O    30.7262  -13.1327
            9   O7a O    28.3049  -13.1391
            10  C8x C    29.5221  -18.0396
            11  C1b C    31.9363  -13.8322
            12  C1b C    33.1469  -13.1339
            13  O1a O    34.3570  -13.8331
BOND        13
            1     1   4 1
            2     2   5 2
            3     2   6 1
            4     3   7 1
            5     4   8 1
            6     4   9 2
            7     5  10 1
            8     7  10 2
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12    1   3 2
            13   12  13 1


entry: D01559
formula: C5H11NO2S. HCl
remark: Therapeutic category: 2233
name:
--- 
- Ethyl L-cysteine hydrochloride (JP15)
- L-Cysteine, ethyl ester, hydrochloride
- Daiace (TN)

kcf:
ATOM        10
            1   C1c C    21.9941   -6.4770
            2   C7a C    20.8259   -5.7295
            3   C1b C    23.2089   -5.7761
            4   O7a O    19.6111   -6.3836
            5   O7a O    20.8259   -4.3277
            6   S1a S    24.4238   -6.5238
            7   C1b C    18.4058   -5.6393
            8   C1a C    17.1638   -6.3079
            9   N1a N    21.9615   -7.9099
            10  X   Cl   28.3500   -6.5800
BOND        8
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     7   8 1
            8     1   9 1 #Down


entry: D01561
name: --- - Potassium hydrogen tartrate (JAN) - Potassium bitartrate (USP)
formula: C4H5O6. K
remark: Therapeutic category: 2359
comment: Component of Circanetten (TN)
kcf:
ATOM        11
            1   C1c C    23.3597  -16.5508
            2   C1c C    24.5718  -15.8515
            3   C6a C    22.1463  -15.8515
            4   O1a O    23.3597  -17.9506
            5   C6a C    25.7851  -16.5508
            6   O1a O    24.5718  -14.4517
            7   O0  O    20.9331  -16.5508 #-
            8   O6a O    22.1463  -14.4517
            9   O6a O    26.9983  -15.8515
            10  O6a O    25.7851  -17.9506
            11  Z   K    19.3403  -16.5460 #+
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     5   9 1
            9     5  10 2


entry: D01562
name: --- - Aranidipine (JAN) - Sapresta (TN)
formula: C19H20N2O7
remark: Therapeutic category: 2149
kcf:
ATOM        28
            1   C1y C    22.3513  -16.1389
            2   C8y C    22.3395  -18.5314
            3   C2y C    21.2049  -15.4862
            4   C2y C    23.4976  -15.4862
            5   C8y C    21.1874  -19.1958
            6   C8x C    23.4800  -19.1958
            7   C2y C    21.2049  -14.1634
            8   C7a C    20.0644  -16.1389
            9   C2y C    23.4976  -14.1634
            10  C7a C    24.6382  -16.1389
            11  C8x C    21.1874  -20.5067
            12  N2b N    20.0586  -18.5314 #+
            13  C8x C    23.4800  -20.5067
            14  N1x N    22.3513  -13.5050
            15  C1a C    20.0644  -13.5050
            16  O7a O    18.9240  -15.4862
            17  O7a O    20.0703  -17.3616
            18  C1a C    24.6382  -13.5050
            19  O7a O    25.7727  -15.4862
            20  O7a O    24.6382  -17.4615
            21  C8x C    22.3395  -21.1769
            22  O3a O    21.5634  -17.5379
            23  O0  O    18.1950  -19.7719 #-
            24  C1b C    17.7834  -16.1389
            25  C1a C    26.9133  -16.1389
            26  C5a C    16.6480  -15.4775
            27  C1a C    15.5075  -16.1302
            28  O5a O    16.6531  -14.1634
BOND        29
            1     1   4 1
            2     2   5 1
            3     2   6 2
            4     3   7 2
            5     3   8 1
            6     4   9 2
            7     4  10 1
            8     5  11 2
            9     5  12 1
            10    6  13 1
            11    7  14 1
            12    7  15 1
            13    8  16 1
            14    8  17 2
            15    9  18 1
            16   10  19 1
            17   10  20 2
            18   11  21 1
            19   12  22 2
            20   12  23 1
            21   16  24 1
            22   19  25 1
            23    9  14 1
            24   13  21 2
            25   24  26 1
            26    1   2 1
            27   26  27 1
            28    1   3 1
            29   26  28 2


entry: D01563
name: --- - Indigocarmine (JP15) - Indigotindisulfonate sodium (USP) - Indigo carmine (TN)
formula: C16H8N2O8S2. 2Na
activity: Diagnostic aid [cystoscopy]
remark: Therapeutic category: 7225
kcf:
ATOM        30
            1   C8y C    18.9424  -16.5789
            2   C8x C    18.9424  -17.9772
            3   C8x C    20.1563  -18.6763
            4   C8x C    20.1563  -15.8798
            5   C8y C    21.3630  -16.5789
            6   C8y C    21.3571  -17.9806
            7   N1x N    22.6884  -18.4194
            8   C2y C    23.5168  -17.2887
            9   C5x C    22.6977  -16.1513
            10  O5x O    23.1355  -14.8234
            11  S4a S    17.7320  -15.8793
            12  O0  O    16.5132  -15.1736 #-
            13  O3c O    18.4199  -14.6582
            14  O3c O    17.0217  -17.0803
            15  C2y C    24.9325  -17.2815
            16  C8y C    29.5069  -17.9913
            17  C8x C    29.5069  -16.5930
            18  C8x C    28.2931  -15.8939
            19  C8x C    28.2931  -18.6904
            20  C8y C    27.0863  -17.9913
            21  C8y C    27.0923  -16.5896
            22  N1x N    25.7610  -16.1508
            23  C5x C    25.7516  -18.4189
            24  O5x O    25.3139  -19.7468
            25  S4a S    30.7175  -18.6911
            26  O0  O    31.9363  -19.3966 #-
            27  O3c O    30.0296  -19.9122
            28  O3c O    31.4278  -17.4899
            29  Z   Na   33.5181  -19.4814 #+
            30  Z   Na   13.5353  -15.1031 #+
BOND        31
            1     1   2 1
            2    11  14 2
            3     2   3 2
            4     8  15 2
            5     3   6 1
            6     5   4 1
            7     5   6 2
            8     6   7 1
            9     7   8 1
            10    8   9 1
            11    9   5 1
            12    4   1 2
            13    9  10 2
            14   16  17 1
            15   17  18 2
            16   18  21 1
            17   20  19 1
            18   20  21 2
            19   21  22 1
            20   22  15 1
            21   15  23 1
            22   23  20 1
            23   19  16 2
            24   23  24 2
            25   16  25 1
            26    1  11 1
            27   25  26 1
            28   25  27 2
            29   11  12 1
            30   25  28 2
            31   11  13 2


entry: D01564
name: --- - Rilmazafone hydrochloride (JAN) - Rhythmy (TN)
formula: C21H20Cl2N6O3. HCl. 2H2O
remark: Therapeutic category: 1129
kcf:
ATOM        35
            1   N4y N     2.8750   -1.9958
            2   C8y C     2.1999   -2.4806
            3   N5x N     2.4510   -3.2717
            4   C8y C     3.2813   -3.2745
            5   N5x N     3.5380   -2.4852
            6   C8y C     2.8753   -1.1689
            7   C8y C     3.5918   -0.7600
            8   C8x C     3.5960    0.0691
            9   C8y C     2.8837    0.4894
            10  C8x C     2.1629    0.0764
            11  C8x C     2.1588   -0.7528
            12  C1b C     1.4129   -2.2212
            13  C5a C     3.7673   -3.9449
            14  O5a O     3.4256   -4.7019
            15  C1a C     5.0754   -4.5337
            16  N1c N     4.5922   -3.8608
            17  C1a C     4.9311   -3.1086
            18  X   Cl    2.8890    1.3144
            19  C5a C     4.3042   -1.1761
            20  O5a O     4.3001   -2.0010
            21  C8y C     5.0208   -0.7672
            22  C8x C     5.7304   -1.1869
            23  C8x C     6.4469   -0.7780
            24  C8x C     6.4511    0.0470
            25  C8x C     5.7387    0.4631
            26  C8y C     5.0222    0.0542
            27  N1b N     0.7975   -2.7706
            28  C5a C     0.0140   -2.5123
            29  O5a O    -0.1541   -1.7047
            30  C1b C    -0.6015   -3.0618
            31  N1a N    -1.3850   -2.8035
            32  X   Cl    4.3042    0.4708
            33  X   Cl    7.6250   -2.9792
            34  O0  O     7.6625   -1.8542
            35  O0  O     7.6625   -0.6875
BOND        34
            1     4  13 1
            2     1   6 1
            3    16  17 1
            4     9  18 1
            5     7  19 1
            6    19  20 2
            7     2   3 2
            8    19  21 1
            9     1   2 1
            10    3   4 1
            11    4   5 2
            12    5   1 1
            13    2  12 1
            14   21  22 2
            15   22  23 1
            16   23  24 2
            17   24  25 1
            18   25  26 2
            19   26  21 1
            20    6   7 2
            21   12  27 1
            22    7   8 1
            23   27  28 1
            24    8   9 2
            25   28  29 2
            26    9  10 1
            27   28  30 1
            28   10  11 2
            29   30  31 1
            30   11   6 1
            31   26  32 1
            32   13  14 2
            33   15  16 1
            34   16  13 1


entry: D01565
name: --- - Indometacin farnesil (JAN) - Infree (TN)
formula: C34H40ClNO4
remark: Therapeutic category: 1145
kcf:
ATOM        40
            1   C8y C     0.8458    0.3292
            2   C8y C     0.8417   -0.3917
            3   C1a C     1.4707   -0.7578
            4   C7a C     2.0998    0.3220
            5   C1b C     1.4749    0.6881
            6   C8y C    -0.2992   -0.3365
            7   C8y C    -0.2992    0.3263
            8   N4y N     0.2767   -0.6699
            9   C8x C    -0.8788   -0.6630
            10  C8x C    -0.8788    0.6633
            11  C5a C     0.2767   -1.3293
            12  C8x C    -1.4478   -0.3365
            13  C8y C    -1.4478    0.3263
            14  C8y C     0.2698   -1.7902
            15  O5a O    -0.3331   -1.3190
            16  O2a O    -2.0163    0.6529
            17  C8x C    -0.3061   -2.1272
            18  C8x C     0.8417   -2.1237
            19  C1a C    -2.5853    0.3194
            20  C8x C    -0.3061   -2.7900
            21  C8x C     0.8451   -2.7796
            22  C8y C     0.2698   -3.1130
            23  X   Cl    0.2767   -3.7690
            24  O7a O     2.7288    0.6808
            25  O7a O     2.0998   -0.3989
            26  C1b C     3.3541    0.3155
            27  C2b C     3.9832    0.6744
            28  C2c C     4.6085    0.3091
            29  C1b C     5.2376    0.6680
            30  C1a C     4.6048   -0.4151
            31  C1b C     5.8629    0.3026
            32  C2b C     6.4919    0.6615
            33  C2c C     7.1173    0.2962
            34  C1b C     7.7463    0.6551
            35  C1a C     7.1136   -0.4280
            36  C1b C     8.3716    0.2897
            37  C2b C     9.0007    0.6486
            38  C2c C     9.6260    0.2833
            39  C1a C    10.2551    0.6422
            40  C1a C     9.6223   -0.4409
BOND        42
            1    14  17 2
            2    14  18 1
            3    16  19 1
            4    17  20 1
            5    18  21 2
            6    20  22 2
            7    22  23 1
            8    12  13 1
            9    21  22 1
            10    4   5 1
            11    4  24 1
            12    5   1 1
            13    4  25 2
            14   24  26 1
            15    1   2 2
            16   26  27 1
            17    2   3 1
            18   27  28 2
            19    6   7 2
            20   28  29 1
            21    6   8 1
            22   28  30 1
            23    6   9 1
            24   29  31 1
            25    7   1 1
            26   31  32 1
            27    7  10 1
            28   32  33 2
            29    8   2 1
            30   33  34 1
            31    8  11 1
            32   33  35 1
            33    9  12 2
            34   34  36 1
            35   10  13 2
            36   36  37 1
            37   11  14 1
            38   37  38 2
            39   11  15 2
            40   38  39 1
            41   13  16 1
            42   38  40 1


entry: D01566
name: --- - Gusperimus hydrochloride (JAN) - Gusperimus trihydrochloride (USAN) - Spanidin (TN)
formula: C17H37N7O3. 3HCl
activity: Immunosuppressant
remark: Therapeutic category: 3999
kcf:
ATOM        30
            1   C1b C    24.7376  -16.3216
            2   C1b C    25.9533  -17.0196
            3   C1b C    27.1616  -16.3216
            4   C1b C    28.3699  -17.0120
            5   C1b C    29.5782  -16.3141
            6   C1b C    30.7939  -17.0046
            7   N1b N    32.0022  -16.3067
            8   C2c C    33.2106  -16.9971
            9   N1a N    34.4188  -16.2991
            10  N2a N    33.2139  -18.4005
            11  C5a C    23.5252  -17.0255
            12  N1b N    22.3094  -16.3276
            13  O5a O    23.5286  -18.4273
            14  C1c C    22.3060  -14.9257
            15  O1a O    21.0903  -14.2278
            16  C5a C    23.5184  -14.2219
            17  O5a O    23.5148  -12.8198
            18  N1b N    24.7342  -14.9198
            19  C1b C    25.9463  -14.2157
            20  C1b C    27.1621  -14.9137
            21  C1b C    28.3744  -14.2098
            22  C1b C    29.5902  -14.9077
            23  N1b N    30.8026  -14.2038
            24  C1b C    32.0184  -14.9018
            25  C1b C    33.2308  -14.1979
            26  C1b C    34.4466  -14.8958
            27  N1a N    35.6589  -14.1920
            28  X   Cl   39.9885  -15.5623
            29  X   Cl   39.9885  -15.5623
            30  X   Cl   39.9885  -15.5623
BOND        26
            1    12  14 1
            2     1   2 1
            3    14  15 1
            4     2   3 1
            5    14  16 1
            6     3   4 1
            7    16  17 2
            8     4   5 1
            9    16  18 1
            10    5   6 1
            11   18  19 1
            12    6   7 1
            13   19  20 1
            14    7   8 1
            15   20  21 1
            16    8   9 1
            17   21  22 1
            18    8  10 2
            19   22  23 1
            20   23  24 1
            21    1  11 1
            22   24  25 1
            23   25  26 1
            24   11  12 1
            25   26  27 1
            26   11  13 2


entry: D01567
name: --- - Ketophenylbutazone (JAN)
formula: C19H18N2O3
remark: Therapeutic category: 1144
kcf:
ATOM        24
            1   C1y C    18.0168  -13.2525
            2   C1b C    19.4187  -13.2525
            3   C5x C    17.1758  -12.1310
            4   N1y N    15.8674  -12.5516
            5   N1y N    15.8674  -13.9534
            6   C5x C    17.1758  -14.3739
            7   C8x C    12.2226  -10.4489
            8   C8x C    12.2226  -11.8507
            9   C8x C    13.4376  -12.5516
            10  C8y C    14.6525  -11.8507
            11  C8x C    14.6525  -10.4489
            12  C8x C    13.4376   -9.7480
            13  C8x C    12.2226  -14.6543
            14  C8x C    12.2226  -16.0561
            15  C8x C    13.4376  -16.7570
            16  C8x C    14.6525  -16.0561
            17  C8y C    14.6525  -14.6543
            18  C8x C    13.4376  -13.9534
            19  C1b C    20.1196  -12.0385
            20  C5a C    21.5214  -12.0385
            21  O5a O    22.2219  -13.2518
            22  C1a C    22.2227  -10.8239
            23  O5x O    17.6009  -10.7952
            24  O5x O    17.6009  -15.7098
BOND        26
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   10   4 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   17   5 1
            21    2  19 1
            22   19  20 1
            23   20  21 2
            24   20  22 1
            25    3  23 2
            26    6  24 2


entry: D01569
name: --- - Cloperastine fendizoate (JAN) - Hustazol (TN)
formula: C20H14O4. C20H24ClNO
remark: Therapeutic category: 2229
kcf:
ATOM        47
            1   C8x C    25.8434  -12.6978
            2   C8x C    25.8434  -14.0958
            3   C8x C    27.0571  -14.7949
            4   C8x C    28.2637  -14.0958
            5   C8y C    28.2637  -12.6978
            6   C8y C    27.0571  -11.9987
            7   C5a C    29.4748  -11.9996
            8   C8y C    30.6852  -12.6996
            9   C8x C    30.6785  -14.0957
            10  C8y C    31.8889  -14.7956
            11  C8y C    33.1002  -14.0975
            12  C8x C    33.1012  -12.6995
            13  C8x C    31.8909  -11.9994
            14  C6a C    27.0588  -10.6006
            15  O6a O    28.2704   -9.9031
            16  O6a O    25.8488   -9.9001
            17  O5a O    29.4760  -10.6015
            18  O1a O    34.3104  -14.7974
            19  C8y C    31.8878  -16.1937
            20  C8x C    30.6789  -16.8819
            21  C8x C    30.6779  -18.2799
            22  C8x C    31.8880  -18.9798
            23  C8x C    33.0994  -18.2818
            24  C8x C    33.1004  -16.8837
            25  C1c C    19.0338  -16.1765
            26  C8y C    17.8216  -16.8766
            27  C8y C    20.2576  -16.8766
            28  O2a O    19.0396  -14.7761
            29  C8x C    17.8216  -18.2770
            30  C8x C    16.6153  -16.1765
            31  C8x C    20.2458  -18.2770
            32  C8x C    21.4638  -16.1765
            33  C1b C    20.2576  -14.0760
            34  C8x C    16.6153  -18.9773
            35  C8x C    15.4033  -16.8766
            36  C8x C    21.4580  -18.9773
            37  C8x C    22.6760  -16.8766
            38  C8x C    15.4033  -18.2770
            39  C8y C    22.6700  -18.2770
            40  X   Cl   23.8878  -18.9833
            41  C1b C    21.4460  -14.7638
            42  N1y N    22.6369  -14.0778
            43  C1x C    23.8250  -14.7655
            44  C1x C    25.0382  -14.0668
            45  C1x C    25.0397  -12.6668
            46  C1x C    23.8516  -11.9791
            47  C1x C    22.6384  -12.6778
BOND        51
            1    20  21 1
            2    21  22 2
            3    22  23 1
            4    23  24 2
            5    24  19 1
            6     2   3 1
            7     3   4 2
            8     4   5 1
            9     5   6 2
            10    8   9 2
            11    9  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13   8 1
            16    6   1 1
            17    6  14 1
            18   14  15 2
            19    5   7 1
            20   14  16 1
            21   10  19 1
            22    7  17 2
            23    7   8 1
            24   11  18 1
            25    1   2 2
            26   19  20 2
            27   25  26 1
            28   25  27 1
            29   25  28 1
            30   26  29 1
            31   26  30 2
            32   27  31 2
            33   27  32 1
            34   28  33 1
            35   29  34 2
            36   30  35 1
            37   31  36 1
            38   32  37 2
            39   34  38 1
            40   36  39 2
            41   35  38 2
            42   37  39 1
            43   39  40 1
            44   33  41 1
            45   41  42 1
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   46  47 1
            51   42  47 1


entry: D01570
formula: C12H18IN. HCl
activity: Diagnostic aid; Radioactive agent
remark: Therapeutic category: 4300
name:
--- 
- N-Isopropyl-p-iodoamphetamine(123I) hydrochloride (JAN)
- Iofetamine hydrochloride I 123 (USAN)
- Spectamine (TN)

kcf:
ATOM        15
            1   C8y C    19.6771  -15.8094
            2   C1b C    18.4981  -15.1317
            3   C8x C    20.8559  -15.1259
            4   C8x C    19.6827  -17.1764
            5   C1c C    17.3191  -15.8152
            6   C8x C    22.0407  -15.8094
            7   C8x C    20.8617  -17.8485
            8   N1b N    16.1343  -15.1317
            9   C1a C    17.3191  -17.1764
            10  C8y C    22.0407  -17.1650
            11  C1c C    14.9552  -15.8152
            12  C1a C    13.7762  -15.1373
            13  C1a C    14.9610  -17.1822
            14  X   I    23.6263  -18.1853
            15  X   Cl   26.4792  -16.7088
BOND        14
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 1
            9     6  10 2
            10    8  11 1
            11   11  12 1
            12   11  13 1
            13    7  10 1
            14   10  14 1


entry: D01571
name: --- - Moxisylyte hydrochloride (JAN) - Opilon (TN)
formula: C16H26NO3. Cl
remark: Therapeutic category: 2190
kcf:
ATOM        21
            1   C8y C     7.4182   -2.6862
            2   C8y C     6.7010   -3.1034
            3   C8x C     7.4182   -1.8586
            4   O2a O     8.1355   -3.1034
            5   C8x C     5.9803   -2.6862
            6   C1c C     6.7010   -3.9310
            7   C8y C     6.7010   -1.4448
            8   C1b C     8.8561   -2.6862
            9   C8y C     5.9837   -1.8621
            10  C1a C     6.6975   -0.6138
            11  C1b C     9.5734   -3.1034
            12  O7a O     5.2699   -1.4483
            13  N1c N    10.2941   -2.6862 #+
            14  C7a C     4.5527   -1.8621
            15  C1a C     3.8320   -1.4483
            16  O7a O     4.5527   -2.6897
            17  C1a C    10.2932   -1.8612
            18  C1a C    11.0091   -3.0979
            19  C1a C     5.9866   -4.3435
            20  C1a C     7.4155   -4.3435
            21  X   Cl   10.1292   -4.1125 #-
BOND        20
            1     2   5 1
            2     2   6 1
            3     3   7 2
            4     4   8 1
            5     5   9 2
            6     7  10 1
            7     8  11 1
            8     9  12 1
            9    11  13 1
            10   12  14 1
            11   14  15 1
            12   14  16 2
            13    7   9 1
            14   13  17 1
            15   13  18 1
            16    1   2 2
            17    6  19 1
            18    1   3 1
            19    6  20 1
            20    1   4 1


entry: D01572
name: --- - Pralidoxime iodide (JAN/USAN) - Pam (TN)
formula: C7H9N2O. I
activity: Cholinesterase reactivator
remark: Therapeutic category: 3929
kcf:
ATOM        11
            1   C8y C    22.4722  -18.2513
            2   N5y N    21.2626  -17.5442 #+
            3   C8x C    22.4722  -19.6478
            4   C2b C    23.6875  -17.5442
            5   C8x C    20.0473  -18.2513
            6   C1a C    21.2626  -16.1594
            7   C8x C    21.2626  -20.3547
            8   N2b N    24.8853  -18.2513
            9   C8x C    20.0473  -19.6478
            10  O1b O    26.1066  -17.5442
            11  X   I    19.0124  -17.3806 #-
BOND        10
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     8  10 1
            10    7   9 1


entry: D01573
name: --- - Etilefrine hydrochloride (JP15) - Etilefrine hydrochloride (TN)
formula: C10H15NO2. HCl
remark: Same as: C13029 Therapeutic category: 2119
kcf:
ATOM        14
            1   C8y C    27.7200  -15.6100
            2   C8x C    27.7200  -17.0100
            3   C8x C    28.9100  -17.7100
            4   C8x C    30.1000  -17.0100
            5   C8y C    30.1000  -15.6100
            6   C8x C    28.9100  -14.9100
            7   C1c C    31.2900  -14.9100
            8   C1b C    32.5500  -15.6100
            9   N1b N    33.7400  -14.9100
            10  C1b C    34.9300  -15.6100
            11  C1a C    36.1900  -14.9100
            12  O1a O    31.2900  -13.5100
            13  O1a O    26.4600  -14.9100
            14  X   Cl   34.7900  -17.0800
BOND        13
            1     5   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    7  12 1
            11    5   6 2
            12    1  13 1
            13    6   1 1


entry: D01574
name: --- - L-Methylcysteine hydrochloride (JAN) - Visclair (TN)
formula: C4H10NO2S. Cl
remark: Therapeutic category: 2233
kcf:
ATOM        9
            1   C1a C     1.5417    1.3333
            2   O7a O     2.2583    0.9250
            3   C7a C     2.9750    1.3375
            4   C1c C     3.6917    0.9292
            5   C1b C     4.4042    1.3417
            6   S1a S     5.1208    0.9333
            7   O7a O     2.9732    2.1667
            8   N1a N     3.6875    0.1000 #+
            9   X   Cl    6.6333   -0.4542 #-
BOND        7
            1     1   2 1
            2     4   5 1
            3     5   6 1
            4     2   3 1
            5     3   7 2
            6     4   8 1 #Up
            7     3   4 1


entry: D01575
name: --- - Dequalinium chloride (JAN) - Nordman (TN)
formula: C30H40N4. 2Cl
remark: Therapeutic category: 2399
kcf:
ATOM        36
            1   C1b C    26.3900  -14.6300
            2   C1b C    27.6500  -15.3300
            3   C1b C    28.8400  -14.7000
            4   C1b C    30.0300  -15.4000
            5   N5y N    31.2900  -14.7000 #+
            6   N5y N    25.2000  -15.3300 #+
            7   C8y C    24.0100  -14.6300
            8   C8x C    22.7500  -15.4000
            9   C8y C    22.7500  -16.8000
            10  C8y C    24.0100  -17.5000
            11  C8y C    25.2000  -16.7300
            12  C1a C    24.0100  -13.3000
            13  N1a N    21.5600  -17.5000
            14  C8x C    24.0100  -18.9000
            15  C8x C    25.2000  -19.5300
            16  C8x C    26.3900  -18.8300
            17  C8x C    26.3900  -17.4300
            18  C8y C    32.4800  -15.4000
            19  C8x C    33.6700  -14.7000
            20  C8y C    33.6700  -13.3000
            21  C8y C    32.4800  -12.6000
            22  C8y C    31.2900  -13.3000
            23  C1a C    32.4800  -16.8000
            24  N1a N    34.9300  -12.6000
            25  C8x C    32.4800  -11.2000
            26  C8x C    31.2900  -10.5000
            27  C8x C    29.9600  -11.2000
            28  C8x C    29.9600  -12.6000
            29  X   Cl   26.1800  -13.2300 #-
            30  X   Cl   30.4500  -17.4300 #-
            31  C1b C    27.6500  -15.3300
            32  C1b C    28.8400  -14.7000
            33  C1b C    27.6500  -15.3300
            34  C1b C    28.8400  -14.7000
            35  C1b C    27.6500  -15.3300
            36  C1b C    28.8400  -14.7000
BOND        37
            1     4   5 1
            2     1   6 1
            3     6   7 2
            4     7   8 1
            5     8   9 2
            6     9  10 1
            7    10  11 1
            8     6  11 1
            9     7  12 1
            10    9  13 1
            11   10  14 2
            12   14  15 1
            13   15  16 2
            14   16  17 1
            15   11  17 2
            16    5  18 2
            17   18  19 1
            18   19  20 2
            19   20  21 1
            20   21  22 1
            21    5  22 1
            22   18  23 1
            23   20  24 1
            24   21  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   22  28 2
            29    1   2 1
            30    2   3 1
            31    3  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   34  35 1
            36   35  36 1
            37   36   4 1


entry: D01576
name: --- - Oxeladin citrate (JAN)
formula: C20H34NO3. C6H7O7
remark: Therapeutic category: 2225
kcf:
ATOM        37
            1   C8y C     0.4333  -10.3917
            2   C1d C     1.1458  -10.8000
            3   C7a C     1.8583  -10.3875
            4   O7a O     2.5708  -10.7958
            5   C1b C     3.2833  -10.3833
            6   C1b C     3.9958  -10.7917
            7   O2a O     4.7083  -10.3792
            8   C1b C     5.4208  -10.7875
            9   C1b C     6.1333  -10.3750
            10  N1c N     6.8458  -10.7833 #+
            11  C1b C     7.5583  -10.3708
            12  O7a O     1.8565   -9.5625
            13  C1b C     1.8583  -11.2125
            14  C1b C     0.4292  -11.2083
            15  C1a C     0.4245  -12.0333
            16  C1a C     1.8573  -12.0375
            17  C8x C     0.4307   -9.5705
            18  C8x C    -0.2818   -9.1621
            19  C8x C    -0.9917   -9.5750
            20  C8x C    -0.9890  -10.3962
            21  C8x C    -0.2765  -10.8045
            22  C1a C     8.2733  -10.7825
            23  C1b C     6.8476  -11.6083
            24  C1a C     7.5630  -12.0193
            25  C1d C    11.9151  -10.4382
            26  C1b C    11.2013  -10.8485
            27  C1b C    12.6289  -10.8450
            28  C6a C    12.3220   -9.7209
            29  O1a O    11.4978   -9.7209
            30  C6a C    10.4909  -10.4416
            31  C6a C    12.6220  -11.6692
            32  O6a O    11.9047   -9.0037
            33  O6a O    13.1496   -9.7209
            34  O0  O     9.7772  -10.8554 #-
            35  O6a O    10.4840   -9.6175
            36  O6a O    13.3358  -12.0830
            37  O6a O    11.9047  -12.0795
BOND        36
            1     9  10 1
            2     1  17 2
            3    17  18 1
            4    18  19 2
            5    19  20 1
            6    20  21 2
            7    21   1 1
            8     4   5 1
            9    11  22 1
            10   10  11 1
            11   10  23 1
            12   23  24 1
            13    3  12 2
            14    5   6 1
            15    2  13 1
            16    2   3 1
            17    2  14 1
            18    6   7 1
            19   14  15 1
            20   13  16 1
            21    7   8 1
            22    3   4 1
            23    8   9 1
            24    1   2 1
            25   25  26 1
            26   25  27 1
            27   25  28 1
            28   25  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   28  33 2
            33   30  34 1
            34   30  35 2
            35   31  36 1
            36   31  37 2


entry: D01577
name: --- - Bronopol (JAN/USAN)
formula: C3H6BrNO4
remark: Therapeutic category: 7321
kcf:
ATOM        9
            1   O1a O    17.1250  -14.8048
            2   C1b C    18.3365  -14.1034
            3   C1d C    19.5479  -14.7976
            4   N2b N    20.7594  -14.0962 #+
            5   O0  O    21.9709  -14.7905 #-
            6   C1b C    18.3295  -15.4919
            7   X   Br   20.7594  -15.4990
            8   O1a O    18.3224  -16.8946
            9   O3a O    20.7563  -12.6935
BOND        8
            1     4   5 1
            2     2   3 1
            3     3   6 1
            4     1   2 1
            5     3   7 1
            6     3   4 1
            7     6   8 1
            8     4   9 2


entry: D01578
name: --- - Pranoprofen (JP15) - Elicapric (TN)
formula: C15H13NO3
remark: Therapeutic category: 1149 1319
kcf:
ATOM        19
            1   C8x C    17.6243  -16.8850
            2   C8x C    17.6243  -18.2865
            3   C8x C    18.8410  -18.9873
            4   N5x N    18.8410  -16.1842
            5   C8y C    20.0506  -16.8850
            6   C8y C    20.0446  -18.2865
            7   C1x C    21.2554  -18.9926
            8   O2x O    21.2673  -16.1894
            9   C8y C    22.4781  -16.8953
            10  C8y C    22.4656  -18.2933
            11  C8x C    23.6697  -19.0031
            12  C8y C    24.8868  -18.3152
            13  C8x C    24.8994  -16.9172
            14  C8x C    23.6950  -16.2074
            15  C1c C    26.0942  -19.0269
            16  C1a C    26.0815  -20.4285
            17  C6a C    27.3143  -18.3372
            18  O6a O    28.5217  -19.0490
            19  O6a O    27.3269  -16.9358
BOND        21
            1     5   4 2
            2     4   1 1
            3     1   2 2
            4     2   3 1
            5     3   6 2
            6     9  10 2
            7    10  11 1
            8    11  12 2
            9    12  13 1
            10   13  14 2
            11   14   9 1
            12    5   6 1
            13   12  15 1
            14    6   7 1
            15   15  16 1
            16    7  10 1
            17   15  17 1
            18    9   8 1
            19   17  18 1
            20    8   5 1
            21   17  19 2


entry: D01579
name: --- - Osalmid (JAN)
formula: C13H11NO3
remark: Therapeutic category: 2364
kcf:
ATOM        17
            1   C8x C    20.2580  -16.6354
            2   C8x C    20.2580  -15.2338
            3   C8x C    21.4747  -14.5331
            4   C8y C    22.6843  -15.2338
            5   C8y C    22.6843  -16.6354
            6   C8x C    21.4747  -17.3362
            7   C5a C    23.8986  -17.3351
            8   N1b N    25.1069  -16.6354
            9   C8y C    26.3173  -17.3362
            10  O5a O    23.9002  -18.7367
            11  C8x C    27.5294  -16.6383
            12  C8x C    28.7398  -17.3390
            13  C8y C    28.7381  -18.7377
            14  C8x C    27.5260  -19.4356
            15  C8x C    26.3156  -18.7348
            16  O1a O    23.8986  -14.5339
            17  O1a O    29.9511  -19.4398
BOND        18
            1     2   3 1
            2     8   9 1
            3     3   4 2
            4     7  10 2
            5     4   5 1
            6     5   6 2
            7     6   1 1
            8     5   7 1
            9     9  11 2
            10   11  12 1
            11   12  13 2
            12   13  14 1
            13   14  15 2
            14   15   9 1
            15    1   2 2
            16    4  16 1
            17    7   8 1
            18   13  17 1


entry: D01582
name: --- - Acemetacin (JAN) - Rantudil (TN)
formula: C21H18ClNO6
remark: Therapeutic category: 1145
kcf:
ATOM        29
            1   C8y C    14.0000  -24.7800
            2   C8x C    14.0000  -26.1800
            3   C8x C    15.2124  -26.8800
            4   C8y C    16.4249  -26.1800
            5   C8y C    16.4249  -24.7800
            6   C8x C    15.2124  -24.0800
            7   N4y N    17.7564  -26.6126
            8   C8y C    18.5793  -25.4800
            9   C8y C    17.7564  -24.3474
            10  C1b C    18.1875  -23.0206
            11  C5a C    18.1875  -27.9394
            12  C1a C    19.9500  -25.4800
            13  C7a C    19.5875  -23.0206
            14  C8y C    19.5875  -27.9394
            15  O5a O    17.3735  -29.0600
            16  C8x C    20.2866  -29.1501
            17  C8x C    21.6866  -29.1501
            18  C8y C    22.3866  -27.9376
            19  C8x C    21.6875  -26.7269
            20  C8x C    20.2875  -26.7269
            21  X   Cl   23.7866  -27.9376
            22  O7a O    20.2947  -24.2455
            23  O7a O    20.2866  -21.8099
            24  C1b C    21.6997  -21.8097
            25  C6a C    22.3865  -20.6199
            26  O2a O    12.7876  -24.0800
            27  C1a C    11.5921  -24.7704
            28  O6a O    23.7997  -20.6195
            29  O6a O    21.7027  -19.4360
BOND        31
            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    9  10 1
            12    7  11 1
            13    8  12 1
            14   10  13 1
            15   11  14 1
            16   11  15 2
            17   14  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   14  20 1
            23   18  21 1
            24   13  22 2
            25   13  23 1
            26   23  24 1
            27   24  25 1
            28    1  26 1
            29   26  27 1
            30   25  28 1
            31   25  29 2


entry: D01583
name: --- - Pirfenidone (JAN/USAN)
formula: C12H11NO
activity: Analgesic; Anti-inflammatory; Antipyretic
remark: Therapeutic category: 2290
kcf:
ATOM        14
            1   C8x C    27.6234  -19.5554
            2   C8x C    27.6234  -18.1551
            3   C8y C    26.4078  -17.4550
            4   C8x C    25.1992  -18.1551
            5   N4y N    25.1992  -19.5554
            6   C8y C    26.4078  -20.2556
            7   C1a C    26.4061  -16.0546
            8   O5x O    26.4061  -21.6559
            9   C8y C    23.9862  -20.2547
            10  C8x C    22.7759  -19.5520
            11  C8x C    21.5627  -20.2512
            12  C8x C    21.5617  -21.6515
            13  C8x C    22.7739  -22.3527
            14  C8x C    23.9872  -21.6533
BOND        15
            1     3   7 1
            2     1   2 2
            3     6   8 2
            4     2   3 1
            5     5   9 1
            6     3   4 2
            7     4   5 1
            8     5   6 1
            9     6   1 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14   9 1


entry: D01584
name: --- - Anetholtrithion (JAN) - Athenentol (TN)
formula: C10H8OS3
remark: Therapeutic category: 1390 2369
kcf:
ATOM        14
            1   C8y C    26.8196  -15.7388
            2   S3x S    27.2553  -14.4085
            3   S3x S    26.1198  -13.5827
            4   C8y C    24.9844  -14.4085
            5   C8x C    25.4199  -15.7388
            6   C8y C    21.3551  -12.3031
            7   C8x C    21.3551  -13.7028
            8   C8x C    22.5703  -14.4027
            9   C8y C    23.7783  -13.7028
            10  C8x C    23.7783  -12.3031
            11  C8x C    22.5703  -11.6033
            12  O2a O    20.1432  -11.6026
            13  C1a C    18.9308  -12.3019
            14  S0  S    27.6410  -16.8722
BOND        15
            1     3   4 1
            2     4   5 2
            3     5   1 1
            4     6   7 2
            5     7   8 1
            6     8   9 2
            7     9  10 1
            8    10  11 2
            9    11   6 1
            10    9   4 1
            11    6  12 1
            12    1   2 1
            13   12  13 1
            14    2   3 1
            15    1  14 2


entry: D01585
name: --- - Exalamide (JAN)
formula: C13H19NO2
remark: Therapeutic category: 2659
kcf:
ATOM        16
            1   C8x C    17.3445  -18.1251
            2   C8x C    17.3445  -19.5277
            3   C8x C    18.5621  -20.2290
            4   C8x C    19.7726  -19.5277
            5   C8y C    19.7726  -18.1251
            6   C8y C    18.5621  -17.4238
            7   C5a C    18.5638  -16.0213
            8   N1a N    19.7794  -15.3215
            9   O5a O    17.3501  -15.3184
            10  O2a O    20.9785  -17.4308
            11  C1b C    22.1898  -18.1321
            12  C1b C    23.4011  -17.4380
            13  C1b C    24.6124  -18.1392
            14  C1b C    25.8237  -17.4451
            15  C1b C    27.0351  -18.1464
            16  C1a C    28.2464  -17.4521
BOND        16
            1     7   8 1
            2     2   3 1
            3     7   9 2
            4     3   4 2
            5     5  10 1
            6     4   5 1
            7    10  11 1
            8     5   6 2
            9    11  12 1
            10    6   1 1
            11   12  13 1
            12   13  14 1
            13    6   7 1
            14   14  15 1
            15    1   2 2
            16   15  16 1


entry: D01586
name: --- - Diethylaminoethyl diphenylhydroxypropionate hydrochloride (JAN)
formula: C21H27NO3. HCl
kcf:
ATOM        26
            1   C8x C    22.6218  -18.4902
            2   C8x C    22.6218  -19.8905
            3   C8x C    23.8375  -20.5907
            4   C8x C    25.0460  -19.8905
            5   C8y C    25.0460  -18.4902
            6   C8x C    23.8375  -17.7900
            7   C1d C    26.2590  -17.7909
            8   C8y C    27.4713  -18.4919
            9   C8x C    27.4646  -19.8903
            10  C8x C    28.6769  -20.5914
            11  C8x C    29.8902  -19.8920
            12  C8x C    29.8912  -18.4917
            13  C8x C    28.6789  -17.7907
            14  C1b C    26.2602  -16.3906
            15  C7a C    27.4733  -15.6913
            16  O7a O    27.4745  -14.2910
            17  O7a O    28.6856  -16.3925
            18  O1a O    25.0466  -17.0909
            19  C1b C    29.9148  -15.6841
            20  C1b C    31.1062  -16.3735
            21  N1c N    32.2967  -15.6874
            22  C1b C    33.4852  -16.3751
            23  C1b C    32.2981  -14.2803
            24  C1a C    34.6772  -15.6883
            25  C1a C    33.4901  -13.5934
            26  X   Cl   33.1100  -18.6200
BOND        26
            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 2
            9     7   8 1
            10   15  17 1
            11    1   2 2
            12    2   3 1
            13    3   4 2
            14    4   5 1
            15    5   6 2
            16    8   9 2
            17    9  10 1
            18   10  11 2
            19    7  18 1
            20   17  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 1
            25   22  24 1
            26   23  25 1


entry: D01587
name: --- - Tricaprilin (JAN)
formula: C27H50O6
remark: Same as: C13044 Therapeutic category: 2399
kcf:
ATOM        33
            1   O7a O    29.1791  -21.8067
            2   C7a C    29.1842  -20.4067
            3   C1b C    22.9058  -18.2910
            4   C1b C    21.7519  -17.6098
            5   C1a C    20.2029  -18.3256
            6   C7a C    24.3272  -17.5960
            7   O7a O    25.5390  -18.2983
            8   O7a O    24.3295  -16.1925
            9   O7a O    30.3975  -14.1050
            10  O7a O    29.1813  -16.2005
            11  C7a C    30.3926  -15.5057
            12  C1b C    31.8144  -16.2080
            13  C1b C    26.7557  -17.5986
            14  C1c C    27.9676  -18.3009
            15  O7a O    27.9681  -19.6980
            16  C1b C    29.1835  -17.5998
            17  C1b C    30.5992  -19.7175
            18  C1b C    31.8115  -20.4240
            19  C1a C    33.9761  -19.7464
            20  C1b C    32.9884  -15.5331
            21  C1a C    34.8886  -16.2292
            22  C1b C    30.5992  -19.7175
            23  C1b C    31.8115  -20.4240
            24  C1b C    30.5992  -19.7175
            25  C1b C    31.8115  -20.4240
            26  C1b C    31.8144  -16.2080
            27  C1b C    32.9884  -15.5331
            28  C1b C    31.8144  -16.2080
            29  C1b C    32.9884  -15.5331
            30  C1b C    22.9058  -18.2910
            31  C1b C    21.7519  -17.6098
            32  C1b C    22.9058  -18.2910
            33  C1b C    21.7519  -17.6098
BOND        32
            1     6   8 2
            2     2   1 2
            3    10  11 1
            4    11   9 2
            5    13  14 1
            6    14  15 1
            7    15   2 1
            8     6   7 1
            9    14  16 1
            10   16  10 1
            11   13   7 1
            12    2  17 1
            13   17  18 1
            14   18  22 1
            15   22  23 1
            16   23  24 1
            17   24  25 1
            18   25  19 1
            19   11  12 1
            20   12  20 1
            21   20  26 1
            22   26  27 1
            23   27  28 1
            24   28  29 1
            25   29  21 1
            26    6   3 1
            27    3   4 1
            28    4  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33   5 1


entry: D01588
name: --- - Domiphen bromide (JAN/USAN) - Oradol (TN)
formula: C22H40NO. Br
activity: Anti-infective, topical
remark: Therapeutic category: 2399
kcf:
ATOM        25
            1   C8x C    19.1100  -15.7500
            2   C8x C    19.1100  -14.3500
            3   C8x C    20.3700  -13.6500
            4   C8y C    21.5600  -14.3500
            5   C8x C    21.5600  -15.7500
            6   C8x C    20.3700  -16.4500
            7   O2a O    22.7500  -13.6500
            8   C1b C    23.9400  -14.3500
            9   C1b C    25.1300  -13.6500
            10  N1d N    26.3200  -14.3500 #+
            11  C1b C    27.7200  -13.6500
            12  C1b C    28.9100  -14.3500
            13  C1b C    30.1700  -13.6500
            14  C1a C    31.3600  -14.3500
            15  C1a C    26.3200  -15.7500
            16  C1a C    26.3200  -12.8100
            17  X   Br   24.1500  -15.4700 #-
            18  C1b C    27.7200  -13.6500
            19  C1b C    28.9100  -14.3500
            20  C1b C    27.7200  -13.6500
            21  C1b C    28.9100  -14.3500
            22  C1b C    27.7200  -13.6500
            23  C1b C    28.9100  -14.3500
            24  C1b C    27.7200  -13.6500
            25  C1b C    28.9100  -14.3500
BOND        24
            1     5   6 2
            2     6   1 1
            3    13  14 1
            4     4   7 1
            5     7   8 1
            6     1   2 2
            7     8   9 1
            8     2   3 1
            9     9  10 1
            10    3   4 2
            11    4   5 1
            12   10  15 1
            13   10  16 1
            14   11  12 1
            15   12  13 1
            16   18  19 1
            17   11  19 1
            18   20  21 1
            19   18  21 1
            20   22  23 1
            21   20  23 1
            22   24  25 1
            23   22  25 1
            24   24  10 1


entry: D01589
name: --- - Mabuterol hydrochloride (JAN) - Broncholin (TN)
formula: C13H19ClF3N2O. Cl
remark: Therapeutic category: 2259
kcf:
ATOM        21
            1   C8x C    20.9300  -16.1700
            2   C8y C    19.7400  -15.4700
            3   C8y C    18.5500  -16.1700
            4   C8y C    18.4800  -17.5700
            5   C8x C    19.7400  -18.2700
            6   C8y C    20.9300  -17.5700
            7   C1d C    19.7400  -14.0700
            8   N1a N    17.2900  -15.4000
            9   X   Cl   17.2900  -18.2000
            10  X   F    19.7400  -12.6700
            11  X   F    21.1400  -14.0700
            12  X   F    18.3400  -14.0000
            13  C1c C    22.1200  -18.2700
            14  O1a O    22.1200  -19.6700
            15  C1b C    23.3800  -17.5700
            16  N1b N    24.5700  -18.2700 #+
            17  C1d C    25.7600  -17.6400
            18  C1a C    27.0200  -18.3400
            19  C1a C    25.7600  -16.2400
            20  C1a C    27.0200  -16.9400
            21  X   Cl   26.8100  -19.8100 #-
BOND        20
            1     7  10 1
            2     3   4 2
            3     7  11 1
            4     4   5 1
            5     7  12 1
            6     5   6 2
            7     6  13 1
            8     6   1 1
            9    13  14 1
            10   13  15 1
            11    2   7 1
            12   15  16 1
            13   16  17 1
            14    3   8 1
            15   17  18 1
            16    1   2 2
            17   17  19 1
            18    4   9 1
            19   17  20 1
            20    2   3 1


entry: D01590
name: --- - Ethyl linoleate (JAN)
formula: C20H36O2
remark: Therapeutic category: 2181
kcf:
ATOM        22
            1   C1a C    22.5204  -16.2568
            2   C1b C    23.7009  -15.5732
            3   O7a O    24.8817  -16.2568
            4   C7a C    26.0624  -15.5732
            5   C1b C    27.2431  -16.2568
            6   C1b C    28.4238  -15.5732
            7   C1b C    29.6044  -16.2568
            8   C2b C    30.7851  -15.5732
            9   O7a O    26.0624  -14.2062
            10  C2b C    35.8514  -15.5732
            11  C1b C    37.0321  -16.2568
            12  C1b C    38.2127  -15.5732
            13  C2b C    32.1230  -15.5732
            14  C1b C    33.3036  -16.2568
            15  C2b C    34.4842  -15.5732
            16  C1a C    40.0105  -16.2494
            17  C1b C    27.2431  -16.2568
            18  C1b C    28.4238  -15.5732
            19  C1b C    27.2431  -16.2568
            20  C1b C    28.4238  -15.5732
            21  C1b C    37.0321  -16.2568
            22  C1b C    38.2127  -15.5732
BOND        21
            1     3   4 1
            2     7   8 1
            3     1   2 1
            4     2   3 1
            5     4   9 2
            6    13  14 1
            7    14  15 1
            8    15  10 2
            9     8  13 2
            10    4   5 1
            11    5   6 1
            12    6  17 1
            13   17  18 1
            14   18  19 1
            15   19  20 1
            16   20   7 1
            17   10  11 1
            18   11  12 1
            19   12  21 1
            20   21  22 1
            21   22  16 1


entry: D01592
name: --- - Betahistine mesilate (JP15) - Suzutolon (TN)
formula: C8H12N2. (CH4SO3)2
remark: Therapeutic category: 1339
kcf:
ATOM        20
            1   S4a S    31.4297  -18.3999
            2   O3c O    31.4368  -16.9981
            3   O3c O    31.4368  -19.8017
            4   C1a C    30.0279  -18.3999
            5   O1d O    32.8316  -18.3999
            6   C8x C    27.0676  -18.9723
            7   C8x C    27.0676  -17.5705
            8   N5x N    25.8507  -16.8695
            9   C8y C    24.6409  -17.5705
            10  C8x C    24.6409  -18.9723
            11  C8x C    25.8507  -19.6732
            12  C1b C    23.4356  -16.8764
            13  C1b C    22.2250  -17.5774
            14  N1b N    21.0143  -16.8836
            15  C1a C    19.8036  -17.5846
            16  S4a S    31.4297  -18.3999
            17  C1a C    30.0279  -18.3999
            18  O1d O    32.8316  -18.3999
            19  O3c O    31.4368  -16.9981
            20  O3c O    31.4368  -19.8017
BOND        18
            1     6   7 2
            2     7   8 1
            3     8   9 2
            4     9  10 1
            5    10  11 2
            6    11   6 1
            7     9  12 1
            8    12  13 1
            9    13  14 1
            10   14  15 1
            11    1   4 1
            12    1   5 1
            13    1   2 2
            14    1   3 2
            15   16  17 1
            16   16  18 1
            17   16  19 2
            18   16  20 2


entry: D01593
name: --- - Nimetazepam (JAN) - Erimin (TN)
formula: C16H13N3O3
remark: Therapeutic category: 1124
kcf:
ATOM        22
            1   C8y C    17.5580  -12.7679
            2   C2y C    18.3716  -13.6105
            3   C8y C    17.5698  -11.4278
            4   C8x C    16.4112  -13.4525
            5   C8y C    18.3656  -14.9680
            6   N2x N    19.7409  -13.6105
            7   C8x C    16.4112  -10.7607
            8   N1y N    19.0561  -10.5502
            9   C8y C    15.2351  -12.7737
            10  C8x C    19.5418  -15.6468
            11  C8x C    17.1837  -15.6411
            12  C1x C    20.5542  -12.7270
            13  C8x C    15.2351  -11.4278
            14  C5x C    20.5483  -11.3695
            15  N2b N    14.0706  -13.4525 #+
            16  C8x C    19.5418  -17.0104
            17  C8x C    17.1778  -16.9986
            18  O5x O    21.7127  -10.6730
            19  O3a O    14.0823  -15.1028
            20  O0  O    12.8186  -12.8407 #-
            21  C8x C    18.3599  -17.6834
            22  C1a C    19.0443   -8.8177
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 2
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21    9  13 2
            22   12  14 1
            23   17  21 2
            24    8  22 1


entry: D01594
name: --- - Bendazac (JAN/USAN) - Iwazac (TN)
formula: C16H14N2O3
activity: Anti-inflammatory
remark: Therapeutic category: 2649
kcf:
ATOM        21
            1   C8x C    24.1839  -18.7918
            2   C8x C    22.9758  -18.0920
            3   C8x C    22.9758  -16.6920
            4   C8x C    24.1839  -15.9921
            5   C8y C    25.3992  -18.0920
            6   C8y C    25.4024  -16.6915
            7   N4y N    26.7353  -16.2619
            8   N5x N    27.5555  -17.3967
            9   C8y C    26.7300  -18.5276
            10  C1b C    26.7353  -14.8619
            11  O2a O    26.7300  -19.9276
            12  C8y C    27.9607  -14.1546
            13  C1b C    27.9597  -20.6374
            14  C6a C    29.1442  -19.9531
            15  C8x C    29.1437  -14.8378
            16  C8x C    30.3562  -14.1380
            17  C8x C    30.3565  -12.7380
            18  C8x C    29.1735  -12.0548
            19  C8x C    27.9610  -12.7546
            20  O6a O    30.3372  -20.6417
            21  O6a O    29.1441  -18.5502
BOND        23
            1     5   1 1
            2     1   2 2
            3     2   3 1
            4     3   4 2
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9   5 1
            10    4   6 1
            11    7  10 1
            12    9  11 1
            13   10  12 1
            14   11  13 1
            15   13  14 1
            16   12  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   12  19 1
            22   14  20 1
            23   14  21 2


entry: D01595
name: --- - Phenyliodoundecynoate (JAN)
formula: C17H21IO2
remark: Therapeutic category: 2651
kcf:
ATOM        20
            1   C8x C    15.5299  -19.1738
            2   C8x C    15.5299  -20.5752
            3   C8x C    16.7465  -21.2760
            4   C8x C    17.9560  -20.5752
            5   C8y C    17.9560  -19.1738
            6   C8x C    16.7465  -18.4731
            7   O7a O    19.1702  -18.4739
            8   C7a C    20.3833  -19.1755
            9   C1b C    21.5887  -18.4731
            10  C1b C    22.7990  -19.1738
            11  C1b C    24.0094  -18.4731
            12  C1b C    25.2198  -19.1738
            13  C1b C    26.4301  -18.4731
            14  C1b C    27.6404  -19.1738
            15  C1b C    28.8508  -18.4731
            16  C1b C    30.0611  -19.1738
            17  O7a O    20.3856  -20.5769
            18  C3b C    31.2755  -18.4744
            19  C3b C    32.4901  -17.7752
            20  X   I    33.7047  -17.0759
BOND        20
            1     9  10 1
            2     4   5 1
            3    10  11 1
            4     5   6 2
            5    11  12 1
            6     6   1 1
            7    12  13 1
            8    13  14 1
            9     5   7 1
            10   14  15 1
            11    1   2 2
            12   15  16 1
            13    7   8 1
            14    8  17 2
            15    2   3 1
            16   16  18 1
            17    8   9 1
            18   18  19 3
            19    3   4 2
            20   19  20 1


entry: D01596
name: --- - Oxytetracycline hydrochloride (JP15/USP) - Terramycin hydrochloride (TN) - OTC
formula: C22H24N2O9. HCl
activity: Antibacterial; Antirickettsial
remark: Same as: C13055 Therapeutic category: 2760
comment: Component of Terra Cortril (TN), Terramycin ophthalmic (TN), Tetrazol (TN)
kcf:
ATOM        34
            1   C1y C    26.2393  -17.1862
            2   C1z C    26.2160  -18.5600
            3   C1y C    25.0576  -16.4877
            4   C1y C    27.4383  -16.5110
            5   C2y C    25.0283  -19.2352
            6   C5x C    27.3976  -19.2644
            7   O1a O    26.2043  -19.9279
            8   C1y C    23.8527  -17.1629
            9   O1a O    25.0459  -14.8225
            10  C2y C    28.6141  -17.2154
            11  N1c N    27.4558  -15.1373
            12  C2y C    23.8410  -18.5367
            13  O1a O    25.0867  -20.6147
            14  C2y C    28.5965  -18.5949
            15  O5x O    27.3742  -20.6380
            16  C1z C    22.6652  -16.4643
            17  O1a O    29.8247  -16.5459
            18  C1a C    28.6606  -14.4621
            19  C1a C    27.4675  -13.4726
            20  C5x C    22.6535  -19.2235
            21  C5a C    29.7840  -19.2992
            22  C8y C    21.4662  -17.1512
            23  C1a C    22.6711  -14.6711
            24  C8y C    21.4603  -18.5309
            25  O5x O    22.6478  -20.6031
            26  N1a N    30.9831  -18.6298
            27  O5a O    29.7606  -20.6787
            28  C8x C    20.2729  -16.4643
            29  C8y C    20.2729  -19.2178
            30  C8x C    19.0797  -17.1512
            31  C8x C    19.0797  -18.5309
            32  O1a O    20.2787  -20.5972
            33  O1a O    21.4534  -15.7647
            34  X   Cl   33.7400  -16.5200
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    4  11 1 #Down
            11    5  12 2
            12    5  13 1
            13    6  14 1
            14    6  15 2
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   11  19 1
            19   12  20 1
            20   14  21 1
            21   16  22 1
            22   16  23 1 #Down
            23   20  24 1
            24   20  25 2
            25   21  26 1
            26   21  27 2
            27   22  28 2
            28   24  29 2
            29   28  30 1
            30   29  31 1
            31   29  32 1
            32    8  12 1
            33   10  14 2
            34   22  24 1
            35   30  31 2
            36   16  33 1 #Up


entry: D01597
name: --- - Clotiapine (JAN) - Clothiapine (USAN) - Entumin (TN)
formula: C18H18ClN3S
activity: Antipsychotic
remark: Therapeutic category: 1179
kcf:
ATOM        23
            1   C2y C    15.8834  -14.2894
            2   C8y C    15.0413  -13.1798
            3   C8y C    15.3765  -11.8230
            4   S2x S    16.6375  -11.2449
            5   N2x N    17.2892  -14.3146
            6   C8y C    17.8911  -11.8672
            7   C8y C    18.1776  -13.2359
            8   C8x C    14.3694  -10.8546
            9   C8x C    13.0274  -11.2427
            10  C8y C    12.6922  -12.5995
            11  C8x C    13.6993  -13.5676
            12  C8x C    19.5088  -13.6730
            13  C8x C    20.5530  -12.7386
            14  C8x C    20.2666  -11.3699
            15  C8x C    18.9352  -10.9328
            16  X   Cl   11.3274  -12.9939
            17  N1y N    15.2489  -15.5391
            18  C1x C    13.8473  -15.5391
            19  C1x C    13.1465  -16.7529
            20  N1y N    13.8473  -17.9669
            21  C1x C    15.2489  -17.9669
            22  C1x C    15.9497  -16.7529
            23  C1a C    13.1403  -19.1909
BOND        26
            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     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   10  16 1
            19    1  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   17  22 1
            26   20  23 1


entry: D01599
name: --- - Gliclazide (JAN) - Glimicron (TN)
formula: C15H21N3O3S
remark: Therapeutic category: 3961
kcf:
ATOM        22
            1   S4a S    33.2747  -15.6715
            2   C8y C    34.4380  -16.3579
            3   N1b N    31.7621  -16.4102
            4   O3c O    32.4719  -14.4847
            5   O3c O    34.2578  -14.4265
            6   C8x C    35.6364  -15.6832
            7   C8x C    34.4380  -17.6898
            8   C5a C    30.6222  -15.6948
            9   C8x C    36.8114  -16.3520
            10  C8x C    35.6132  -18.3880
            11  N1b N    29.4296  -16.3287
            12  C8y C    36.8114  -17.7074
            13  C1a C    37.9923  -18.3880
            14  N1y N    28.2494  -15.5910
            15  C1x C    28.2488  -14.1937
            16  C1x C    26.9257  -16.0160
            17  C1y C    26.1076  -14.8904
            18  C1y C    26.9249  -13.7579
            19  C1x C    26.1004  -12.6304
            20  C1x C    24.7737  -13.0663
            21  C1x C    24.7779  -14.4629
            22  O5a O    30.6084  -14.3147
BOND        24
            1     6   9 2
            2     7  10 1
            3     8  11 1
            4     9  12 1
            5    12  13 1
            6    10  12 2
            7    11  14 1
            8     1   2 1
            9     1   3 1
            10   14  15 1
            11   15  18 1
            12   17  16 1
            13   16  14 1
            14    1   4 2
            15    1   5 2
            16    2   6 1
            17    2   7 2
            18    3   8 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  17 1
            24    8  22 2


entry: D01600
name: --- - Diphenylpiperidinomethyldioxolan iodide (JAN) - Anacolin - Gastrophyllin-A (TN)
formula: C22H28NO2. I
remark: Therapeutic category: 2329
kcf:
ATOM        26
            1   C8x C     2.3100  -21.0700
            2   C8x C     2.3100  -22.4700
            3   C8x C     3.5224  -23.1700
            4   C8x C     4.7349  -22.4700
            5   C8y C     4.7349  -21.0700
            6   C8x C     3.5224  -20.3700
            7   C8x C     7.1597  -22.4700
            8   C8y C     7.1597  -21.0700
            9   C1z C     5.9473  -20.3700
            10  C8x C     8.3722  -23.1700
            11  C8x C     9.5846  -22.4700
            12  C8x C     9.5846  -21.0700
            13  C8x C     8.3722  -20.3700
            14  O2x O     7.0822  -19.5506
            15  C1y C     6.6533  -18.2179
            16  C1x C     5.2533  -18.2139
            17  O2x O     4.8170  -19.5442
            18  C1b C     7.3567  -17.0074
            19  N2y N     8.7500  -17.0113 #+
            20  C1x C     9.4460  -18.2247
            21  C1x C    10.8460  -18.2287
            22  C1x C    11.5494  -17.0182
            23  C1x C    10.8534  -15.8048
            24  C1x C     9.4534  -15.8008
            25  C1a C     8.0500  -15.7989
            26  X   I     9.2400  -14.4900 #-
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    9  17 1
            20   15  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28   19  25 1


entry: D01601
name: --- - Acetylsulfamethoxazole (JAN) - Gantanol (TN)
formula: C12H13N3O4S
activity: Antibacterial
remark: Same as: C13061 Therapeutic category: 6212
kcf:
ATOM        20
            1   C8y C    26.8280  -18.3588
            2   S4a S    28.0408  -17.6547
            3   C8x C    26.8280  -19.7609
            4   C8x C    25.6210  -17.6547
            5   N1b N    29.2594  -18.3588
            6   C8x C    25.6210  -20.4589
            7   C8x C    24.4081  -18.3588
            8   C8y C    30.4722  -17.6547
            9   C8y C    24.4081  -19.7609
            10  C8x C    31.7953  -18.0832
            11  N5x N    30.4670  -16.2482
            12  N1b N    23.1896  -20.4589
            13  C8y C    32.6215  -16.9441
            14  O2x O    31.7881  -15.8162
            15  C5a C    21.9661  -19.7471
            16  C1a C    20.7380  -20.4507
            17  O5a O    21.9709  -18.3317
            18  O3c O    27.0640  -16.6883
            19  O3c O    29.0298  -16.6883
            20  C1a C    34.0106  -16.9378
BOND        21
            1     1   4 2
            2     2   5 1
            3     3   6 2
            4     4   7 1
            5     5   8 1
            6     6   9 1
            7     8  10 1
            8     8  11 2
            9     9  12 1
            10   10  13 2
            11   11  14 1
            12    7   9 2
            13   13  14 1
            14   12  15 1
            15    1   2 1
            16   15  16 1
            17    1   3 1
            18   15  17 2
            19    2  18 2
            20    2  19 2
            21   13  20 1


entry: D01602
name: --- - Mepitiostane (JP15) - Thioderon (TN)
formula: C25H40O2S
remark: Therapeutic category: 2499
kcf:
ATOM        28
            1   C1y C    21.0595  -21.2456
            2   C1y C    21.0595  -22.6170
            3   C1x C    22.2500  -23.3026
            4   C1x C    22.2500  -20.5599
            5   C1z C    23.4335  -21.2456
            6   C1y C    23.4277  -22.6170
            7   C1x C    24.6124  -23.3078
            8   C1x C    25.8029  -22.6271
            9   C1y C    24.6242  -20.5651
            10  C1y C    25.8030  -21.2587
            11  C1x C    25.8255  -18.5232
            12  C1x C    24.6353  -19.1974
            13  C1z C    27.0043  -19.2167
            14  C1y C    26.9879  -20.5804
            15  C1x C    29.3496  -20.6090
            16  C1x C    29.3662  -19.2454
            17  C1y C    28.1935  -18.5493
            18  O2a O    28.2101  -17.1779
            19  S2x S    19.8683  -21.9245
            20  C1a C    26.9952  -17.8450
            21  C1a C    23.4213  -19.8742
            22  C1x C    30.7634  -16.2592
            23  C1x C    31.1967  -14.9555
            24  C1x C    30.0842  -14.1464
            25  C1x C    28.9718  -14.9555
            26  C1z C    29.3985  -16.2590
            27  O2a O    30.1465  -17.4083
            28  C1a C    31.5160  -17.2650
BOND        33
            1     7   8 1
            2    13  14 1
            3    15  16 1
            4    16  17 1
            5    17  13 1
            6    14  15 1
            7     8  10 1
            8    17  18 1 #Up
            9     9   5 1
            10    1  19 1 #Down
            11    5   4 1
            12    4   1 1
            13   13  20 1 #Up
            14    1   2 1
            15    5  21 1 #Up
            16    9  10 1
            17   10  14 1
            18   13  11 1
            19   11  12 1
            20   12   9 1
            21    2   3 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  22 1
            27   18  26 1
            28    3   6 1
            29   26  27 1
            30    5   6 1
            31   27  28 1
            32    6   7 1
            33    2  19 1 #Down


entry: D01603
name: --- - Bethanidine sulfate (JAN/USAN) - Tenathan (TN)
formula: (C10H16N3. CH4)2. SO4
activity: Antihypertensive
remark: Therapeutic category: 2149
kcf:
ATOM        33
            1   C8x C    21.0515  -19.8497
            2   C8x C    21.0515  -21.2499
            3   C8x C    22.2670  -21.9500
            4   C8x C    23.4754  -21.2499
            5   C8y C    23.4754  -19.8497
            6   C8x C    22.2670  -19.1496
            7   C1b C    24.6884  -19.1506
            8   N2b N    24.6896  -17.7505
            9   C2c C    25.9026  -17.0512
            10  N1b N    25.9038  -15.6510 #+
            11  N1b N    27.1147  -17.7522
            12  C1a C    28.3279  -17.0529
            13  C1a C    24.7017  -14.9560
            14  O0  O    31.6456  -17.7226 #-
            15  S4a S    33.0455  -17.7226
            16  O3c O    33.0384  -16.3226
            17  O0  O    34.4455  -17.7226 #-
            18  O3c O    33.0384  -19.1226
            19  C0  C    27.1168  -14.9518
            20  C8x C    21.0515  -19.8497
            21  C8x C    21.0515  -21.2499
            22  C8x C    22.2670  -21.9500
            23  C8x C    23.4754  -21.2499
            24  C8y C    23.4754  -19.8497
            25  C1b C    24.6884  -19.1506
            26  N2b N    24.6896  -17.7505
            27  C2c C    25.9026  -17.0512
            28  N1b N    25.9038  -15.6510 #+
            29  C1a C    24.7017  -14.9560
            30  N1b N    27.1147  -17.7522
            31  C1a C    28.3279  -17.0529
            32  C8x C    22.2670  -19.1496
            33  C0  C    27.1168  -14.9518
BOND        30
            1    14  15 1
            2    15  16 2
            3    15  17 1
            4    15  18 2
            5     5   7 1
            6     7   8 1
            7     8   9 2
            8     1   2 2
            9     9  10 1
            10    2   3 1
            11    3   4 2
            12    9  11 1
            13    4   5 1
            14    5   6 2
            15    6   1 1
            16   11  12 1
            17   10  13 1
            18   24  25 1
            19   25  26 1
            20   26  27 2
            21   20  21 2
            22   27  28 1
            23   21  22 1
            24   22  23 2
            25   27  30 1
            26   23  24 1
            27   24  32 2
            28   32  20 1
            29   30  31 1
            30   28  29 1


entry: D01604
formula: C2H6O. C34H38N3O7P. HCl
remark: Therapeutic category: 2149
name:
--- 
- Efonidipine hydrochloride (JAN)
- Efonidipine hydrochloride ethanol
- Landel (TN)
- NZ 105 ethanolate

kcf:
ATOM        49
            1   X   Cl   33.4838  -19.3127
            2   C1y C    27.1641  -14.0463
            3   C2y C    28.3578  -13.3441
            4   C2y C    25.9002  -13.3441
            5   C8y C    27.1641  -15.4507
            6   C2y C    28.3578  -11.9398
            7   C7a C    29.5515  -14.0463
            8   C2y C    25.9002  -11.9398
            9   P1b P    24.7064  -14.0463
            10  C8x C    28.3578  -16.1529
            11  C8x C    25.9002  -16.1529
            12  N1x N    27.1641  -11.2376
            13  C1a C    29.5515  -11.1674
            14  O7a O    30.7452  -13.3441
            15  O7a O    29.5515  -15.4507
            16  C1a C    24.7064  -11.2376
            17  C8y C    28.3578  -17.5573
            18  C8x C    25.9002  -17.5573
            19  C1b C    32.0092  -14.0463
            20  C8x C    27.1641  -18.2594
            21  N2b N    29.5515  -18.2594 #+
            22  C1b C    33.2029  -13.2739
            23  O3a O    30.9555  -17.4173
            24  O0  O    29.5515  -19.6638 #-
            25  O2x O    24.7064  -15.4507
            26  C1x C    23.4425  -16.1529
            27  C1z C    22.2488  -15.4507
            28  C1x C    22.2488  -14.0463
            29  O2x O    23.5127  -13.3441
            30  O3b O    24.7064  -12.6420
            31  N1c N    34.3966  -13.9761
            32  C1b C    35.6605  -13.3441
            33  C8y C    36.8543  -13.9761
            34  C8x C    38.0480  -13.3441
            35  C8x C    39.2417  -14.0463
            36  C8x C    39.2417  -15.3805
            37  C8x C    38.0480  -16.0827
            38  C8x C    36.8543  -15.3805
            39  C8y C    34.3968  -15.3805
            40  C8x C    35.5905  -16.0827
            41  C8x C    35.5905  -17.4870
            42  C8x C    34.3968  -18.1892
            43  C8x C    33.2031  -17.4870
            44  C8x C    33.2031  -16.0827
            45  C1a C    21.0338  -16.1456
            46  C1a C    21.0545  -14.7581
            47  C1a C    39.1012  -19.3127
            48  C1b C    37.9075  -18.6105
            49  O1a O    36.6436  -19.3127
BOND        51
            1    21  23 2
            2    21  24 1
            3     8  12 1
            4    18  20 2
            5     2   3 1
            6     2   4 1
            7     2   5 1
            8     9  25 1
            9    25  26 1
            10   26  27 1
            11   27  28 1
            12   28  29 1
            13   29   9 1
            14    3   6 2
            15    9  30 2
            16    3   7 1
            17    4   8 2
            18    4   9 1
            19   22  31 1
            20    5  10 1
            21   31  32 1
            22    5  11 2
            23   32  33 1
            24    6  12 1
            25    6  13 1
            26    7  14 1
            27    7  15 2
            28    8  16 1
            29   33  34 2
            30   34  35 1
            31   35  36 2
            32   36  37 1
            33   37  38 2
            34   38  33 1
            35   10  17 2
            36   31  39 1
            37   11  18 1
            38   14  19 1
            39   17  20 1
            40   17  21 1
            41   19  22 1
            42   39  40 2
            43   40  41 1
            44   41  42 2
            45   42  43 1
            46   43  44 2
            47   44  39 1
            48   27  45 1
            49   27  46 1
            50   47  48 1
            51   48  49 1


entry: D01605
name: --- - Meticrane (JP15) - Arresten (TN)
formula: C10H13NO4S2
remark: Therapeutic category: 2149
kcf:
ATOM        17
            1   C8y C    20.0396  -17.2141
            2   C8y C    20.0337  -18.5711
            3   C8x C    21.2211  -16.5415
            4   S2x S    18.8640  -16.5356
            5   C8x C    21.2036  -19.2555
            6   C1x C    18.8640  -19.2496
            7   C8y C    22.3909  -17.2258
            8   C1x C    17.6883  -17.2141
            9   O3c O    17.5538  -15.7109
            10  O3c O    20.0982  -15.7109
            11  C8y C    22.3850  -18.5828
            12  C1x C    17.6883  -18.5711
            13  S4a S    23.5724  -16.5532
            14  C1a C    23.5608  -19.2672
            15  N1a N    24.8241  -15.7168
            16  O3c O    24.6954  -17.5710
            17  O3c O    22.4963  -15.5062
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     4   9 2
            9     4  10 2
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 2
            16   13  17 2
            17    7  11 1
            18    8  12 1


entry: D01606
name: --- - Trimetazidine Hydrochloride (JP15) - Kyurinett (TN)
formula: C14H22N2O3. 2HCl
remark: Therapeutic category: 2171
kcf:
ATOM        21
            1   X   Cl   32.7546  -18.2690
            2   C8x C    23.2896  -16.8726
            3   C8y C    23.2896  -18.2731
            4   C8y C    24.5055  -18.9734
            5   C8y C    25.7141  -18.2731
            6   C8y C    25.7141  -16.8726
            7   C8x C    24.5055  -16.1723
            8   O2a O    26.9274  -18.9725
            9   C1a C    28.1398  -18.2714
            10  O2a O    24.5072  -20.3739
            11  C1a C    25.7209  -21.0726
            12  O2a O    26.9276  -16.1732
            13  C1a C    26.9286  -14.7727
            14  C1b C    22.0771  -18.9739
            15  N1y N    20.8640  -18.2743
            16  C1x C    20.8638  -16.8714
            17  C1x C    19.6570  -16.1734
            18  N1x N    18.4437  -16.8729
            19  C1x C    18.4430  -18.2734
            20  C1x C    19.6555  -18.9744
            21  X   Cl   32.7546  -18.2690
BOND        20
            1     3   4 1
            2     5   8 1
            3     4   5 2
            4     8   9 1
            5     6  12 1
            6    12  13 1
            7     3  14 1
            8     5   6 1
            9    14  15 1
            10    4  10 1
            11    6   7 2
            12   10  11 1
            13    7   2 1
            14    2   3 2
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  15 1
            20   15  16 1


entry: D01607
name: --- - Dimorpholamine (JP15) - Theraptique (TN)
formula: C20H38N4O4
remark: Therapeutic category: 2213
kcf:
ATOM        28
            1   C1x C    23.4671  -15.7755
            2   O2x O    23.4671  -17.1757
            3   C1x C    24.6827  -17.8758
            4   C1x C    25.8911  -17.1757
            5   N1y N    25.8911  -15.7755
            6   C1x C    24.6827  -15.0754
            7   C5a C    27.1042  -15.0762
            8   N1c N    28.3164  -15.7773
            9   C1b C    29.5295  -15.0781
            10  C1b C    30.7417  -15.7790
            11  N1c N    31.9549  -15.0799
            12  C5a C    33.1670  -15.7809
            13  N1y N    34.3802  -15.0816
            14  C1b C    28.3153  -17.1776
            15  C1b C    29.5275  -17.8785
            16  C1b C    29.5263  -19.2788
            17  C1a C    30.7385  -19.9797
            18  C1x C    35.5856  -15.7802
            19  C1x C    36.7988  -15.0810
            20  O2x O    36.7998  -13.6807
            21  C1x C    35.5878  -12.9798
            22  C1x C    34.3746  -13.6790
            23  O5a O    33.1660  -17.1811
            24  O5a O    27.1054  -13.6760
            25  C1b C    31.8859  -13.6797
            26  C1b C    30.6738  -12.9786
            27  C1b C    30.6748  -11.5783
            28  C1a C    29.4626  -10.8774
BOND        29
            1     8  14 1
            2     5   7 1
            3    14  15 1
            4     1   2 1
            5    15  16 1
            6     7   8 1
            7    16  17 1
            8     2   3 1
            9     8   9 1
            10    3   4 1
            11    9  10 1
            12    4   5 1
            13   13  18 1
            14   18  19 1
            15   19  20 1
            16   20  21 1
            17   21  22 1
            18   22  13 1
            19   10  11 1
            20   12  23 2
            21    5   6 1
            22    7  24 2
            23   11  12 1
            24   11  25 1
            25    6   1 1
            26   25  26 1
            27   12  13 1
            28   26  27 1
            29   27  28 1


entry: D01608
name: --- - Clobutinol Hydrochloride (JAN) - Silomat (TN)
formula: C14H22ClNO. HCl
remark: Therapeutic category: 2229
kcf:
ATOM        18
            1   X   Cl   29.1824  -14.7315
            2   C8x C    16.2320  -16.1770
            3   C8y C    16.2320  -17.5792
            4   C8x C    17.4493  -18.2803
            5   C8x C    18.6594  -17.5792
            6   C8y C    18.6594  -16.1770
            7   C8x C    17.4493  -15.4759
            8   C1b C    19.8650  -15.4759
            9   C1d C    21.0759  -16.1699
            10  C1c C    22.2869  -15.4688
            11  C1b C    23.4979  -16.1628
            12  N1c N    24.7089  -15.4617
            13  C1a C    25.9198  -16.1558
            14  X   Cl   15.0180  -18.2808
            15  C1a C    24.7058  -14.0595
            16  C1a C    22.2838  -14.0666
            17  O1a O    21.0790  -17.5721
            18  C1a C    21.0699  -14.7699
BOND        17
            1     8   9 1
            2     2   3 2
            3     9  10 1
            4     3   4 1
            5    10  11 1
            6     4   5 2
            7    11  12 1
            8     5   6 1
            9    12  13 1
            10    6   7 2
            11    3  14 1
            12    7   2 1
            13   12  15 1
            14   10  16 1
            15    6   8 1
            16    9  17 1
            17    9  18 1


entry: D01609
name: --- - Cloperastine Hydrochloride (JP15) - Hustazol (TN)
formula: C20H24ClNO. HCl
remark: Therapeutic category: 2229
kcf:
ATOM        24
            1   C1c C    22.8838  -16.1765
            2   C8y C    21.6716  -16.8766
            3   C8y C    24.1076  -16.8766
            4   O2a O    22.8896  -14.7761
            5   C8x C    21.6716  -18.2770
            6   C8x C    20.4653  -16.1765
            7   C8x C    24.0958  -18.2770
            8   C8x C    25.3138  -16.1765
            9   C1b C    24.1076  -14.0760
            10  C8x C    20.4653  -18.9773
            11  C8x C    19.2533  -16.8766
            12  C8x C    25.3080  -18.9773
            13  C8x C    26.5260  -16.8766
            14  C8x C    19.2533  -18.2770
            15  C8y C    26.5200  -18.2770
            16  X   Cl   27.7378  -18.9833
            17  C1b C    25.2960  -14.7638
            18  N1y N    26.4869  -14.0778
            19  C1x C    27.6750  -14.7655
            20  C1x C    28.8882  -14.0668
            21  C1x C    28.8897  -12.6668
            22  C1x C    27.7016  -11.9791
            23  C1x C    26.4884  -12.6778
            24  X   Cl   30.1000  -16.4500
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13   10  14 1
            14   12  15 2
            15   11  14 2
            16   13  15 1
            17   15  16 1
            18    9  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1


entry: D01611
name: --- - Polaprezinc (JAN) - Promac (TN)
formula: C9H11N4O3Zn
remark: Therapeutic category: 2329
kcf:
ATOM        17
            1   C1b C    15.6762  -12.3567
            2   C8y C    16.9642  -12.0158
            3   C8x C    18.0048  -12.8527
            4   N5x N    19.1245  -12.1305
            5   C8x C    18.8296  -10.7969
            6   N4x N    17.4533  -10.7688
            7   C1b C    10.0049   -9.8455
            8   C1b C    10.0049  -11.1484
            9   C5a C    11.1361  -11.8000
            10  N0  N    12.2606  -11.1484 #-
            11  N1b N    11.1361   -9.1940
            12  O5a O    11.1376  -13.1029
            13  C1c C    14.4141  -11.1617
            14  C6a C    14.4141   -9.8587
            15  O6a O    15.5425   -9.2072
            16  O0  O    13.2856   -9.2072 #-
            17  Z   Zn   11.1528   -7.7929 #2+
BOND        17
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   2 1
            7    13  14 1
            8    11   7 1
            9    14  15 2
            10   14  16 1
            11    9  12 2
            12    7   8 1
            13    8   9 1
            14   10  13 1
            15    9  10 1
            16    1  13 1
            17   11  17 1


entry: D01612
name: --- - Sodium picosulfate (JP15) - Laxoberal (TN) - Laxoberon (TN)
formula: C18H13NO8S2. 2Na. H2O
remark: Therapeutic category: 2359
kcf:
ATOM        32
            1   Z   Na   15.9961  -19.9629 #+
            2   Z   Na   34.3630  -20.0337 #+
            3   O2a O    30.2426  -21.3599
            4   S4a S    31.4552  -20.6517
            5   O3c O    32.1064  -21.9051
            6   O3c O    30.8743  -19.3702
            7   O0  O    32.7085  -20.0145 #-
            8   C8y C    29.0248  -20.6650
            9   C8x C    27.8183  -21.3769
            10  C8x C    26.6705  -20.6820
            11  C8y C    26.6401  -19.2799
            12  C8x C    27.8508  -18.5728
            13  C8x C    29.0686  -19.2677
            14  C1c C    25.4224  -18.5850
            15  C8y C    25.4155  -17.1829
            16  C8y C    24.2117  -19.2919
            17  C8x C    26.6274  -16.4796
            18  C8x C    26.6202  -15.0774
            19  C8x C    25.4026  -14.3826
            20  C8x C    24.1918  -15.0895
            21  N5x N    24.1988  -16.4916
            22  C8x C    23.0025  -18.5974
            23  C8x C    21.8385  -19.3045
            24  C8y C    21.8455  -20.7066
            25  C8x C    23.0164  -21.4015
            26  C8x C    24.2504  -20.6944
            27  O2a O    20.5879  -21.4135
            28  S4a S    19.3703  -20.7186
            29  O0  O    18.1467  -20.0145 #-
            30  O3c O    18.6730  -21.9351
            31  O3c O    20.0759  -19.5071
            32  O0  O    37.9225  -18.4230
BOND        31
            1     3   8 1
            2    14  16 1
            3     3   4 1
            4     4   5 2
            5     4   6 2
            6    15  17 2
            7    17  18 1
            8    18  19 2
            9    19  20 1
            10   20  21 2
            11   21  15 1
            12    8   9 2
            13    9  10 1
            14   10  11 2
            15   11  12 1
            16   12  13 2
            17   16  22 2
            18   22  23 1
            19   23  24 2
            20   24  25 1
            21   25  26 2
            22   26  16 1
            23   13   8 1
            24   24  27 1
            25    4   7 1
            26   27  28 1
            27   11  14 1
            28   28  29 1
            29   28  30 2
            30   14  15 1
            31   28  31 2


entry: D01613
name: --- - Azasetron hydrochloride (JAN) - Serotone (TN)
formula: C17H20ClN3O3. HCl
remark: Therapeutic category: 2391
kcf:
ATOM        25
            1   X   Cl   28.4703  -20.1965
            2   C1y C    20.3053  -18.2374
            3   N1b N    21.3698  -19.0891
            4   C5a C    22.5763  -19.0891
            5   C8y C    23.2151  -18.0245
            6   O5a O    23.2151  -20.2956
            7   C8y C    24.5635  -18.0245
            8   O2x O    25.2732  -19.3020
            9   C1x C    26.6926  -19.3020
            10  C5x C    27.4023  -18.0245
            11  N1y N    26.6926  -16.8180
            12  C8y C    25.2732  -16.8180
            13  C1x C    19.5956  -19.3020
            14  N1y N    18.1052  -18.3794
            15  C1x C    18.1052  -17.1729
            16  C1x C    16.6148  -19.2310
            17  C1y C    18.8859  -17.3858
            18  C1x C    18.8859  -16.3922
            19  C1x C    17.3245  -18.0955
            20  C8x C    24.5635  -15.5406
            21  C8y C    23.2151  -15.5406
            22  C8x C    22.5054  -16.7471
            23  X   Cl   22.5054  -14.2631
            24  O5x O    28.8217  -18.0245
            25  C1a C    27.3898  -15.5992
BOND        27
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     4   6 2
            5     5   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11    7  12 2
            12   13  14 1
            13   13   2 1
            14   14  15 1
            15   14  16 1
            16    2  17 1
            17   15  18 1
            18   16  19 1
            19   17  18 1
            20   17  19 1
            21   12  20 1
            22   20  21 2
            23   21  22 1
            24    5  22 2
            25   21  23 1
            26   10  24 2
            27   11  25 1


entry: D01614
name: --- - Acetylkitasamycin (JP15) - Neo-leucomycin H (TN)
formula: C41H64NO16R
remark: Same as: C13074 Therapeutic category: 2399
comment:
Acetylleucomycin A1 and A3 (R=3-methylbutanoyl) Acetylleucomycin A4 and A5 (R=butanoyl) Acetylleucomycin A6 and A7 (R=propanoyl)

kcf:
ATOM        59
            1   C1y C    22.2968  -22.1697
            2   C1y C    23.4014  -22.8158
            3   O2a O    21.1968  -22.8158
            4   C1y C    22.2968  -20.9008
            5   C1y C    24.5181  -22.1697
            6   N1c N    23.4014  -24.0917
            7   C1y C    20.0979  -23.4508
            8   O2x O    23.4014  -20.2656
            9   C1y C    24.5181  -20.9008
            10  O7a O    25.6239  -22.8158
            11  C1a C    24.5069  -24.7256
            12  C1a C    22.3026  -24.7256
            13  C1x C    20.0979  -24.7199
            14  O2x O    18.9810  -22.8158
            15  O2a O    26.7458  -18.0246
            16  C1z C    18.9810  -25.3660
            17  C1y C    17.8764  -23.4508
            18  C1y C    23.4097  -14.3748
            19  C1y C    17.8764  -24.7199
            20  C1a C    18.1198  -26.5845
            21  O1a O    19.8773  -26.7432
            22  C1a C    16.7821  -22.8158
            23  C1y C    23.3809  -13.0654
            24  C1y C    22.2585  -15.0382
            25  O2a O    16.7821  -25.3660
            26  C1x C    22.1948  -12.4249
            27  C1b C    24.4275  -12.4191
            28  C1y C    22.2873  -16.4155
            29  O2a O    21.1005  -14.4086
            30  C1y C    22.1948  -11.1390
            31  C4a C    25.5387  -13.0486
            32  C1x C    21.0780  -17.0050
            33  C1y C    21.0723  -10.5040
            34  C1a C    23.2937  -10.4984
            35  O4a O    26.6375  -12.4023
            36  C7x C    19.9215  -16.3644
            37  C2x C    19.9734  -11.1390
            38  O7a O    21.0723   -9.2359
            39  O7x O    18.7664  -16.9994
            40  O7x O    19.9215  -15.0887
            41  C2x C    19.9734  -12.4249
            42  C1y C    17.6271  -16.3069
            43  C2x C    18.8452  -13.0654
            44  C1x C    17.6102  -14.9580
            45  C1a C    16.5045  -16.9193
            46  C2x C    18.8283  -14.3578
            47  C1a C    21.0669  -13.1388
            48  O7a O    23.3770  -17.0838
            49  C7a C    26.7934  -22.1487
            50  C1a C    27.9560  -22.8279
            51  O7a O    26.8005  -20.8022
            52  C7a C    23.3782  -18.4303
            53  C1a C    22.2126  -19.1043
            54  O7a O    24.5449  -19.1025
            55  C7a C    22.1705   -8.6017
            56  O7a O    22.1705   -7.3336
            57  C1a C    23.2687   -9.2359
            58  C1a C    21.1984  -20.2651
            59  R   R    15.5687  -24.6811
BOND        61
            1    24  29 1 #Down
            2    26  30 1
            3    27  31 1
            4    28  32 1
            5    30  33 1
            6    30  34 1 #Down
            7    31  35 2
            8    32  36 1
            9    33  37 1
            10   33  38 1 #Down
            11   36  39 1
            12   36  40 2
            13   37  41 2
            14   39  42 1
            15   41  43 1
            16   42  44 1
            17   42  45 1 #Down
            18   43  46 2
            19    8   9 1
            20   17  19 1
            21   44  46 1
            22   29  47 1
            23    1   2 1
            24    1   3 1 #Down
            25    1   4 1
            26    2   5 1
            27    2   6 1 #Up
            28    7   3 1 #Up
            29    4   8 1
            30    5   9 1
            31    5  10 1 #Down
            32    6  11 1
            33   28  48 1 #Down
            34    6  12 1
            35    7  13 1
            36    7  14 1
            37    9  15 1 #Up
            38   13  16 1
            39   10  49 1
            40   14  17 1
            41   49  50 1
            42   18  15 1 #Down
            43   49  51 2
            44   16  19 1
            45   48  52 1
            46   16  20 1 #Down
            47   52  53 1
            48   16  21 1 #Up
            49   52  54 2
            50   17  22 1 #Down
            51   38  55 1
            52   18  23 1
            53   55  56 2
            54   18  24 1
            55   55  57 1
            56   19  25 1 #Up
            57    4  58 1 #Up
            58   23  26 1
            59   23  27 1 #Down
            60   24  28 1
            61   25  59 1


entry: D01615
name: --- - Dexamethasone palmitate (JAN) - Dexamethasone 21-palmitate - Limethason (TN)
formula: C38H59FO6
remark: Therapeutic category: 2454
kcf:
ATOM        45
            1   C2x C    33.3852  -17.2420
            2   C5x C    33.3852  -18.5987
            3   C2x C    34.5601  -19.2771
            4   C2y C    35.7350  -18.5987
            5   C1z C    35.7350  -17.2420
            6   C2x C    34.5601  -16.5637
            7   C1x C    36.9100  -19.2771
            8   C1x C    38.0848  -18.5987
            9   C1y C    38.0848  -17.2420
            10  C1z C    36.9100  -16.5637
            11  C1y C    39.2598  -16.5637
            12  C1z C    39.2598  -15.2070
            13  C1x C    38.0848  -14.5287
            14  C1y C    36.9100  -15.2070
            15  C1x C    41.6096  -16.5637
            16  C1y C    41.6096  -15.2070
            17  C1z C    40.4347  -14.5287
            18  C1a C    35.7350  -15.8853
            19  O1a O    35.7370  -14.5299
            20  C1a C    39.2598  -13.8504
            21  C1a C    42.7720  -14.5358
            22  C5a C    40.4347  -12.8329
            23  X   F    36.9100  -17.9203
            24  O1a O    41.6096  -13.6410
            25  O5x O    32.2104  -19.2771
            26  O5a O    41.6136  -12.1523
            27  C1b C    39.2637  -12.1568
            28  O7a O    38.1072  -12.8247
            29  C7a C    36.9120  -12.1344
            30  C1b C    35.6900  -12.8400
            31  O7a O    36.9128  -10.7061
            32  C1b C    34.3323  -12.1372
            33  C1a C    33.1082  -12.8446
            34  C1b C    35.6900  -12.8400
            35  C1b C    34.3323  -12.1372
            36  C1b C    35.6900  -12.8400
            37  C1b C    34.3323  -12.1372
            38  C1b C    35.6900  -12.8400
            39  C1b C    34.3323  -12.1372
            40  C1b C    35.6900  -12.8400
            41  C1b C    34.3323  -12.1372
            42  C1b C    35.6900  -12.8400
            43  C1b C    34.3323  -12.1372
            44  C1b C    35.6900  -12.8400
            45  C1b C    34.3323  -12.1372
BOND        48
            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 #Down
            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  31 2
            34   29  30 1
            35   30  32 1
            36   32  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   42  43 1
            46   43  44 1
            47   44  45 1
            48   45  33 1


entry: D01616
name: --- - Sodium prasterone sulfate (JP15) - Mylis (TN)
formula: 2H2O. C19H27O5S. Na
remark: Therapeutic category: 2459
kcf:
ATOM        28
            1   O0  O    32.6778  -20.9384
            2   Z   Na   18.6849  -19.9596 #+
            3   C1x C    24.8902  -17.8929
            4   C1y C    24.8902  -19.2616
            5   C1x C    26.0783  -19.9458
            6   C1x C    26.0783  -17.2085
            7   C1z C    27.2595  -17.8929
            8   C2y C    27.2535  -19.2616
            9   C2x C    28.4358  -19.9510
            10  C1x C    29.6241  -19.2716
            11  C1y C    28.4476  -17.2137
            12  C1y C    29.6241  -17.9060
            13  C1x C    29.6465  -15.1758
            14  C1x C    28.3887  -15.8487
            15  C1z C    30.8231  -15.8680
            16  C1y C    30.8066  -17.2289
            17  C1x C    33.1637  -17.1875
            18  C1x C    33.1803  -15.8967
            19  C5x C    32.0099  -15.2019
            20  C1a C    30.8139  -14.4990
            21  C1a C    27.2472  -16.5243
            22  O2a O    23.7052  -19.9465
            23  S4a S    22.3326  -19.9390
            24  O0  O    20.9639  -19.9321 #-
            25  O3c O    22.3397  -18.5704
            26  O3c O    22.3213  -21.3076
            27  O5x O    31.9571  -13.7881
            28  O0  O    32.6778  -20.9384
BOND        28
            1    12  16 1
            2    15  13 1
            3    13  14 1
            4    14  11 1
            5     7   6 1
            6     6   3 1
            7    15  16 1
            8    17  18 1
            9    18  19 1
            10   19  15 1
            11   16  17 1
            12    7   8 1
            13   15  20 1 #Up
            14    8   9 2
            15    9  10 1
            16    7  21 1 #Up
            17   10  12 1
            18    4  22 1 #Up
            19   11   7 1
            20    3   4 1
            21   22  23 1
            22    4   5 1
            23   23  24 1
            24    5   8 1
            25   23  25 2
            26   11  12 1
            27   23  26 2
            28   19  27 2


entry: D01617
name: --- - Estradiol dipropionate (JAN) - Ovahormon (TN)
formula: C24H32O4
remark: Same as: C13077 Therapeutic category: 2473
comment: Component of EP Hormone (TN), Esjin (TN)
kcf:
ATOM        28
            1   C8x C    26.8194  -16.9524
            2   C8y C    26.8194  -18.3540
            3   C8x C    28.0332  -19.0548
            4   C8y C    29.2469  -18.3540
            5   C8y C    29.2469  -16.9524
            6   C8x C    28.0332  -16.2518
            7   C1x C    30.4606  -19.0548
            8   C1x C    31.6744  -18.3540
            9   C1y C    31.6744  -16.9524
            10  C1y C    30.4606  -16.2518
            11  C1y C    32.8882  -16.2518
            12  C1z C    32.8882  -14.8502
            13  C1x C    31.6744  -14.1494
            14  C1x C    30.4606  -14.8502
            15  C1x C    34.2211  -16.6848
            16  C1x C    35.0450  -15.5510
            17  C1y C    34.2211  -14.4171
            18  O7a O    25.6057  -19.0548
            19  C1a C    32.8882  -13.4487
            20  C7a C    24.4078  -18.3630
            21  C1b C    23.2193  -19.0493
            22  O7a O    24.4076  -16.9521
            23  C1a C    22.0267  -18.3605
            24  O7a O    34.2211  -13.0171
            25  C7a C    35.4389  -12.3140
            26  C1b C    36.6397  -13.0073
            27  O7a O    35.4389  -10.9201
            28  C1a C    37.8244  -12.3234
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 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 1
            22   12  19 1 #Up
            23   18  20 1
            24   20  21 1
            25   20  22 2
            26   21  23 1
            27   17  24 1 #Up
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   26  28 1


entry: D01618
name: --- - Fradiomycin sulfate (JP15) - Neomycin sulfate (USP) - Sofratulle (TN) - Mycifradin (TN)
activity: Antibacterial
remark: Same as: C13078 Therapeutic category: 2634 2760
comment:
Component of Aersolin D (TN), Baramycin (TN), Betnevate N (TN), Chlomy-P (TN), Colimy foam (TN), Coly-mycin S (TN), Flucort F (TN), Francetin T (TN), Fradiomycin celludent (TN), Kenacort-AG (TN), Neo medrol EE (TN), Neosporin (TN), Proctosedyl (TN), Rinderon A (TN), Strong restamin cortisone (TN)


entry: D01619
name: --- - Hydrocortisone butyrate (JP15/USP) - locoid (TN)
formula: C25H36O6
activity: Glucocorticoid
remark: Therapeutic category: 2646
kcf:
ATOM        31
            1   C1x C    39.4351  -16.5884
            2   C5x C    39.4351  -17.9805
            3   C2x C    40.6407  -18.6766
            4   C2y C    41.8464  -17.9805
            5   C1z C    41.8464  -16.5884
            6   C1x C    40.6407  -15.8923
            7   C1x C    43.0520  -18.6766
            8   C1x C    44.2576  -17.9805
            9   C1y C    44.2576  -16.5884
            10  C1y C    43.0520  -15.8923
            11  C1y C    45.4633  -15.8923
            12  C1z C    45.4633  -14.5002
            13  C1x C    44.2576  -13.8041
            14  C1y C    43.0520  -14.5002
            15  C1x C    46.7873  -16.3225
            16  C1x C    47.6056  -15.1963
            17  C1z C    46.7873  -14.0700
            18  O5x O    38.2296  -18.6766
            19  C1a C    41.8464  -15.1963
            20  O1a O    41.8484  -13.8053
            21  C1a C    45.4633  -13.1081
            22  C5a C    46.7873  -12.3299
            23  C1b C    48.0068  -11.6254
            24  O5a O    45.6067  -11.6483
            25  O1a O    49.2139  -12.3220
            26  O7a O    48.1320  -13.7097
            27  C7a C    49.3444  -14.4097
            28  C1b C    50.5569  -13.7097
            29  O7a O    49.3444  -15.8200
            30  C1b C    51.7610  -14.4050
            31  C1a C    52.9437  -13.7222
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22    5  19 1 #Up
            23   14  20 1 #Up
            24   12  21 1 #Up
            25   22  23 1
            26   22  24 2
            27   23  25 1
            28   17  22 1 #Up
            29   17  26 1 #Down
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 1
            34   30  31 1


entry: D01620
name: --- - Neticonazole hydrochloride (JAN) - Atolant (TN)
formula: C17H22N2OS. HCl
remark: Therapeutic category: 2655
kcf:
ATOM        22
            1   X   Cl   31.6015  -15.1827
            2   C8x C    25.3160  -20.2043
            3   C8x C    25.7513  -18.8681
            4   N4y N    24.6494  -18.0360
            5   C8x C    23.4683  -18.8681
            6   N5x N    23.9104  -20.2043
            7   C2c C    24.6168  -16.6376
            8   C8y C    25.8310  -14.5542
            9   C8y C    25.8316  -15.9526
            10  C8x C    27.0429  -16.6512
            11  C8x C    28.2536  -15.9513
            12  C8x C    28.2530  -14.5528
            13  C8x C    27.0414  -13.8543
            14  O2a O    24.6195  -13.8556
            15  C1b C    22.1973  -13.8568
            16  C1b C    20.9866  -14.5567
            17  C1b C    19.7752  -13.8582
            18  C1a C    18.5644  -14.5581
            19  C1b C    23.3729  -14.5470
            20  C2b C    23.2183  -16.6307
            21  S2a S    22.0107  -15.9314
            22  C1a C    20.8029  -16.6307
BOND        22
            1     8   9 2
            2     9  10 1
            3    10  11 2
            4    11  12 1
            5    12  13 2
            6    13   8 1
            7     6   2 1
            8     8  14 1
            9    14  19 1
            10    9   7 1
            11   19  15 1
            12    7   4 1
            13   15  16 1
            14   16  17 1
            15   17  18 1
            16    2   3 2
            17    3   4 1
            18    7  20 2
            19    4   5 1
            20   20  21 1
            21    5   6 2
            22   21  22 1


entry: D01621
name: --- - Retinol acetate (JP15)
formula: C22H32O2
remark: Therapeutic category: 3111
kcf:
ATOM        24
            1   C1x C    10.4063  -10.4240
            2   C1x C    10.4063  -11.8271
            3   C1x C    11.6243  -12.5286
            4   C1z C    12.8353  -11.8271
            5   C2y C    12.8353  -10.4240
            6   C2y C    11.6243   -9.7224
            7   C2b C    14.0416   -9.7295
            8   C2b C    15.2534  -10.4311
            9   C2c C    16.4652   -9.7367
            10  C2b C    17.6770  -10.4382
            11  C2b C    18.8888   -9.7437
            12  C2b C    20.1006  -10.4452
            13  C2c C    21.3123   -9.7508
            14  C2b C    22.5241  -10.4524
            15  C1b C    23.7359   -9.7579
            16  O7a O    24.9477  -10.4595
            17  C7a C    26.1595   -9.7649
            18  C1a C    11.6260   -8.3193
            19  C1a C    14.1833  -11.4587
            20  C1a C    13.5242  -13.0389
            21  C1a C    16.4683   -8.3336
            22  C1a C    21.3154   -8.3477
            23  C1a C    27.3723  -10.4704
            24  O7a O    26.1639   -8.3618
BOND        24
            1    11  12 2
            2     6   1 1
            3    12  13 1
            4    13  14 2
            5     5   7 1
            6    14  15 1
            7     1   2 1
            8    15  16 1
            9     7   8 2
            10   16  17 1
            11    2   3 1
            12    6  18 1
            13    8   9 1
            14    4  19 1
            15    3   4 1
            16    4  20 1
            17    9  10 2
            18    9  21 1
            19    4   5 1
            20   13  22 1
            21   10  11 1
            22   17  23 1
            23    5   6 2
            24   17  24 2


entry: D01622
name: --- - Riboflavin sodium phosphate (JP15) - Infuvite (TN)
formula: C17H20N4O9P. Na
activity: Vitamin
remark: Therapeutic category: 3131
kcf:
ATOM        32
            1   C8y C    29.3343  -29.8244
            2   C8y C    29.3343  -28.4239
            3   C8x C    28.1439  -27.7236
            4   C8y C    26.8834  -28.4239
            5   C8y C    26.8834  -29.8244
            6   C8x C    28.1439  -30.5247
            7   N5x N    30.5472  -30.5247
            8   C8y C    31.7602  -29.8244
            9   C8y C    31.7602  -28.4239
            10  N4y N    30.5472  -27.7236
            11  C8y C    32.9731  -30.5247
            12  N4x N    34.1859  -29.8244
            13  C8y C    34.1859  -28.4239
            14  N5x N    32.9731  -27.7236
            15  C1b C    30.5472  -26.3233
            16  C1c C    29.3175  -25.6131
            17  C1c C    29.3177  -24.2223
            18  O1a O    28.1130  -26.3085
            19  O1a O    30.5432  -23.5150
            20  C1c C    28.1174  -23.5290
            21  O1a O    26.9274  -24.2159
            22  C1b C    28.1175  -22.1216
            23  O2b O    26.9244  -21.4327
            24  C1a C    25.6763  -27.7136
            25  C1a C    25.6763  -30.5347
            26  O5x O    32.9731  -31.9253
            27  O5x O    35.3840  -27.7321
            28  P1b P    25.7119  -20.7327
            29  O1c O    24.4995  -20.0327
            30  O0  O    26.4118  -19.5204 #-
            31  O3b O    25.0121  -21.9449
            32  Z   Na   28.2100  -19.5300 #+
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 2
            17   10  15 1
            18   15  16 1
            19   16  17 1
            20   16  18 1 #Up
            21   17  19 1 #Down
            22   17  20 1
            23   20  21 1 #Up
            24   20  22 1
            25   22  23 1
            26    4  24 1
            27    5  25 1
            28   11  26 2
            29   13  27 2
            30   23  28 1
            31   28  29 1
            32   28  30 1
            33   28  31 2


entry: D01623
name: --- - Ferrotrenine (JAN)
formula: (C6H10NO3)2. 2H2O. Fe
remark: Therapeutic category: 3222
kcf:
ATOM        23
            1   O0  O    28.7856  -16.9603
            2   O0  O    28.7856  -19.1564
            3   C1a C    16.8521  -15.3503
            4   C2b C    18.0596  -14.6512
            5   N2b N    19.2739  -15.3503
            6   C1c C    20.4885  -14.6512
            7   C6a C    21.7031  -15.3503
            8   O0  O    22.9175  -14.6512 #-
            9   O6a O    21.6960  -16.7554
            10  C1c C    20.4885  -13.2531
            11  C1a C    21.6993  -12.5541
            12  O1a O    19.2777  -12.5541
            13  Z   Fe   25.1137  -18.0900 #2+
            14  C1a C    17.0288  -21.6560
            15  C2b C    18.2363  -20.9569
            16  N2b N    19.4507  -21.6560
            17  C1c C    20.6653  -20.9569
            18  C6a C    21.8799  -21.6560
            19  O0  O    23.0943  -20.9569 #-
            20  O6a O    21.8728  -23.0612
            21  C1c C    20.6653  -19.5588
            22  C1a C    21.8760  -18.8598
            23  O1a O    19.4544  -18.8598
BOND        18
            1    10  11 1
            2    10  12 1
            3     4   5 2
            4     7   9 2
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     3   4 1
            9     6  10 1
            10   15  16 2
            11   18  20 2
            12   16  17 1
            13   17  18 1
            14   18  19 1
            15   14  15 1
            16   17  21 1
            17   21  22 1
            18   21  23 1


entry: D01624
name: --- - Sarpogrelate hydrochloride (JAN) - Anplag (TN)
formula: C24H31NO6. HCl
remark: Therapeutic category: 3399
kcf:
ATOM        32
            1   C8y C    20.8521  -17.4758
            2   O2a O    22.0660  -16.7720
            3   C8x C    19.6381  -16.7780
            4   C8y C    20.8521  -18.8773
            5   C1b C    23.2740  -17.4758
            6   C8x C    18.4301  -17.4758
            7   C8x C    19.6441  -19.5753
            8   C1c C    24.4879  -16.7720
            9   C8x C    18.4301  -18.8773
            10  O7a O    25.7019  -17.4758
            11  C1b C    24.4879  -15.3705
            12  C7a C    26.9100  -16.7720
            13  C1b C    28.1240  -17.4758
            14  C1b C    29.3380  -16.7720
            15  C6a C    30.5460  -17.4758
            16  O6a O    31.7599  -16.7720
            17  O7a O    26.9087  -15.3689
            18  O6a O    30.5446  -18.8789
            19  C1b C    22.0614  -19.5687
            20  C1b C    23.2732  -18.8671
            21  C8y C    24.4848  -19.5615
            22  C8x C    24.4893  -20.9581
            23  C8x C    25.7010  -21.6527
            24  C8x C    26.9083  -20.9505
            25  C8y C    26.9039  -19.5539
            26  C8x C    25.6922  -18.8595
            27  O2a O    28.1167  -18.8484
            28  C1a C    29.3341  -19.5460
            29  N1c N    23.2730  -14.6689
            30  C1a C    23.2730  -13.2659
            31  C1a C    22.0579  -15.3705
            32  X   Cl   33.1159  -19.4624
BOND        32
            1    15  16 1
            2     7   9 1
            3    12  17 2
            4    15  18 2
            5     1   2 1
            6     4  19 1
            7     1   3 2
            8    19  20 1
            9     1   4 1
            10   20  21 1
            11    2   5 1
            12    3   6 1
            13    4   7 2
            14    5   8 1
            15    6   9 2
            16   21  22 2
            17   22  23 1
            18   23  24 2
            19   24  25 1
            20   25  26 2
            21   26  21 1
            22    8  10 1
            23   25  27 1
            24    8  11 1
            25   27  28 1
            26   10  12 1
            27   11  29 1
            28   12  13 1
            29   29  30 1
            30   13  14 1
            31   29  31 1
            32   14  15 1


entry: D01625
name: --- - Sodium Glucuronate (JAN) - Guronsan (TN)
formula: C6H9O7. Na
activity: Replenisher
remark: Same as: C13085 Therapeutic category: 3916
kcf:
ATOM        14
            1   Z   Na   31.7939  -17.7704 #+
            2   O0  O    29.6151  -17.7915 #-
            3   C6a C    28.4046  -18.4923
            4   C1c C    27.1940  -17.7915
            5   C1c C    25.9835  -18.4923
            6   C1c C    24.7729  -17.7915
            7   C1c C    23.5624  -18.4923
            8   C4a C    22.3517  -17.7915
            9   O4a O    21.1412  -18.4923
            10  O6a O    28.4046  -19.8940
            11  O1a O    27.1940  -16.3898
            12  O1a O    25.9835  -19.8940
            13  O1a O    24.7729  -16.3898
            14  O1a O    23.5624  -19.8940
BOND        12
            1     7   8 1
            2     8   9 2
            3     4   5 1
            4     3  10 2
            5     2   3 1
            6     4  11 1 #Down
            7     5   6 1
            8     5  12 1 #Up
            9     6  13 1 #Up
            10    6   7 1
            11    7  14 1 #Up
            12    3   4 1


entry: D01626
name: --- - Propagermanium (JAN) - Serocion (TN)
formula: C6H10Ge2O7
remark: Therapeutic category: 3919
kcf:
ATOM        15
            1   O6a O    18.7410  -18.8055
            2   C6a C    19.9529  -18.1040
            3   C1b C    21.1648  -18.7984
            4   C1b C    22.3767  -18.0968
            5   Z   Ge   23.5886  -18.7914
            6   O2a O    25.3605  -18.0198
            7   Z   Ge   26.5724  -18.7843
            8   C1b C    27.7842  -18.0827
            9   C1b C    28.9961  -18.7771
            10  C6a C    30.2080  -18.0755
            11  O6a O    31.4199  -18.7701
            12  O6a O    19.9498  -16.7007
            13  O0  O    23.6150  -20.1946
            14  O0  O    26.5988  -20.1875
            15  O6a O    30.2749  -16.6723
BOND        14
            1     7   8 1
            2     8   9 1
            3     4   5 1
            4     9  10 1
            5     2   3 1
            6    10  11 1
            7     5   6 1
            8     2  12 2
            9     1   2 1
            10    5  13 2
            11    6   7 1
            12    7  14 2
            13    3   4 1
            14   10  15 2


entry: D01627
name: --- - Diphenylpyraline teoclate (JAN) - Piprinhydrinate - Plokon (TN)
formula: C19H23NO. C7H7ClN4O2
activity: Antiperistaltic
remark: Therapeutic category: 4415
comment: Component of Obelon (TN)
kcf:
ATOM        35
            1   C8y C    26.6999  -16.4331
            2   C8y C    26.6999  -17.8571
            3   C8y C    27.8963  -15.7268
            4   N4x N    25.3926  -16.0011
            5   N4y N    27.8963  -18.5398
            6   N5x N    25.3926  -18.2888
            7   N4y N    29.1160  -16.4622
            8   O5x O    27.8963  -14.3495
            9   C8y C    24.5814  -17.1567
            10  C8y C    29.1160  -17.8045
            11  C1a C    27.8963  -19.9696
            12  C1a C    30.3649  -15.7852
            13  X   Cl   23.1807  -17.1625
            14  O5x O    30.3649  -18.5048
            15  C1c C    16.7797  -17.7374
            16  C8y C    15.5669  -18.4463
            17  C8y C    17.9982  -18.4463
            18  O2a O    16.7854  -16.3373
            19  C8x C    15.5669  -19.8406
            20  C8x C    14.3542  -17.7374
            21  C8x C    17.9924  -19.8406
            22  C1y C    17.9982  -15.6342
            23  C8x C    14.3542  -20.5379
            24  C8x C    13.1414  -18.4463
            25  C8x C    19.2052  -20.5379
            26  C8x C    20.4179  -18.4463
            27  C1x C    17.9982  -14.2339
            28  C8x C    13.1414  -19.8406
            29  C8x C    20.4120  -19.8406
            30  C1x C    19.2169  -13.5308
            31  N1y N    20.4237  -14.2339
            32  C8x C    19.2140  -17.7357
            33  C1a C    21.6404  -13.5378
            34  C1x C    20.4183  -15.6356
            35  C1x C    19.2016  -16.3317
BOND        38
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 2
            6     4   9 1
            7     5  10 1
            8     5  11 1
            9     7  12 1
            10    9  13 1
            11   10  14 2
            12    6   9 2
            13    7  10 1
            14    1   2 2
            15    1   3 1
            16   15  16 1
            17   15  17 1
            18   15  18 1
            19   16  19 1
            20   16  20 2
            21   17  21 2
            22   17  32 1
            23   18  22 1
            24   19  23 2
            25   20  24 1
            26   21  25 1
            27   32  26 2
            28   22  27 1
            29   23  28 1
            30   25  29 2
            31   27  30 1
            32   30  31 1
            33   24  28 2
            34   26  29 1
            35   22  35 1
            36   31  33 1
            37   31  34 1
            38   34  35 1


entry: D01628
name: --- - Cefditoren pivoxil (JP15) - Spectracef (TN) - Meiact (TN) - CDTR-PI
formula: C25H28N6O7S3
remark: Therapeutic category: 6132
comment: semisynthetic cephalosporin: broad spectrum cephalosporin
kcf:
ATOM        41
            1   C1y C    27.6362  -14.5018
            2   N1y N    27.6362  -15.8905
            3   C2y C    28.8390  -16.5847
            4   C2y C    30.0415  -15.8905
            5   C1x C    30.0415  -14.5018
            6   S2x S    28.8390  -13.8075
            7   C1y C    26.2475  -14.5018
            8   C5x C    26.2475  -15.8905
            9   N1b N    25.0451  -13.8075
            10  C5a C    23.8423  -14.5018
            11  O5a O    23.8423  -15.8905
            12  O5x O    25.0451  -16.5847
            13  C2c C    22.6396  -13.8075
            14  C2b C    31.2626  -16.5958
            15  C8y C    21.4177  -14.5134
            16  C2b C    32.4702  -15.8989
            17  C8y C    33.6724  -16.5934
            18  C8x C    20.3091  -13.6549
            19  S2x S    19.1459  -14.4432
            20  C8y C    19.5361  -15.7931
            21  N5x N    20.9405  -15.8391
            22  C7a C    28.8389  -18.3173
            23  O7a O    27.6266  -19.0172
            24  O7a O    30.0391  -19.0102
            25  C1b C    26.4343  -18.3285
            26  O7a O    25.2543  -19.0096
            27  C7a C    24.0685  -18.3247
            28  C1d C    22.8853  -19.0077
            29  O7a O    24.0685  -16.9247
            30  C1a C    21.6791  -19.7042
            31  C1a C    22.1982  -17.8170
            32  C1a C    23.5905  -20.2296
            33  N2b N    22.6395  -12.3974
            34  O2a O    21.4280  -11.6980
            35  C1a C    20.2360  -12.3865
            36  N5x N    34.0848  -17.9319
            37  C8y C    35.4852  -17.9531
            38  C8x C    35.9380  -16.6279
            39  S2x S    34.8177  -15.7877
            40  C1a C    36.2830  -19.0865
            41  N1a N    18.6611  -16.9177
BOND        44
            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 2
            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    3  22 1
            25   22  23 1
            26   22  24 2
            27   23  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2
            32   28  30 1
            33   28  31 1
            34   28  32 1
            35   13  33 2
            36   33  34 1
            37   34  35 1
            38   17  36 2
            39   36  37 1
            40   37  38 2
            41   38  39 1
            42   17  39 1
            43   37  40 1
            44   20  41 1


entry: D01629
name: --- - Cefetamet pivoxil hydrochloride (JAN) - Cefyl (TN) - CEMT-PI
formula: C20H25N5O7S2. HCl
activity: Antibacterial [veterinary]
remark: Same as: C13089 Therapeutic category: 6132
comment: semisynthetic cephalosporin: broad spectrum cephalosporin
kcf:
ATOM        35
            1   C1y C    26.2103  -14.0762
            2   N1y N    26.2103  -15.4512
            3   C2y C    27.3790  -16.1387
            4   C2y C    28.5478  -15.4512
            5   C1x C    28.5478  -14.0762
            6   S2x S    27.3790  -13.3887
            7   C1y C    24.8352  -14.0762
            8   C5x C    24.8352  -15.4512
            9   N1b N    23.5977  -13.3887
            10  C5a C    22.4290  -14.0762
            11  O5a O    22.4290  -15.4512
            12  O5x O    23.5977  -16.1387
            13  C2c C    21.2601  -13.3887
            14  C1a C    29.7853  -16.1387
            15  C8y C    20.0226  -14.0762
            16  C8x C    18.9914  -13.2511
            17  S2x S    17.8226  -14.0074
            18  C8y C    18.2352  -15.3824
            19  N5x N    19.6101  -15.3824
            20  N2b N    21.2601  -12.0136
            21  O2a O    20.0913  -11.3261
            22  C1a C    18.9225  -11.9448
            23  C7a C    27.3790  -18.6135
            24  O7a O    28.5478  -19.3011
            25  O7a O    26.1415  -19.3011
            26  N1a N    17.4101  -16.4824
            27  C1b C    29.7420  -18.6244
            28  O7a O    30.8991  -19.3052
            29  C7a C    32.0842  -18.6338
            30  C1d C    33.2838  -19.3399
            31  O7a O    32.0252  -17.2366
            32  C1a C    34.4745  -20.0273
            33  C1a C    32.5801  -20.5465
            34  C1a C    33.9652  -18.1717
            35  X   Cl   21.9800  -18.4800
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 1
            7     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16   13  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   15  19 1
            22   13  20 2
            23   20  21 1
            24   21  22 1
            25    3  23 1
            26   23  24 1
            27   23  25 2
            28   18  26 1
            29   24  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


entry: D01630
name: --- - Propentofylline (JAN)
formula: C15H22N4O3
remark: Therapeutic category: 1190
kcf:
ATOM        22
            1   N4y N    24.6911  -18.3505
            2   C8y C    24.6911  -19.7529
            3   N4y N    23.4736  -20.4541
            4   C8y C    23.4736  -17.6493
            5   C8y C    22.2633  -18.3505
            6   C8y C    22.2715  -19.7488
            7   N5x N    20.9440  -20.1889
            8   C8x C    20.1157  -19.0624
            9   N4y N    20.9309  -17.9262
            10  O5x O    23.4719  -16.2469
            11  O5x O    25.9053  -20.4547
            12  C1a C    23.4680  -21.8565
            13  C1b C    20.4896  -16.5950
            14  C1b C    19.1161  -16.3115
            15  C1a C    18.6750  -14.9803
            16  C1b C    25.9022  -17.6493
            17  C1b C    27.1134  -18.3433
            18  C1b C    28.3246  -17.6421
            19  C1b C    29.5357  -18.3364
            20  C5a C    30.7469  -17.6352
            21  C1a C    31.9581  -18.3292
            22  O5a O    30.7438  -16.2328
BOND        23
            1     2  11 2
            2     1   2 1
            3     3  12 1
            4     2   3 1
            5     9  13 1
            6     3   6 1
            7    13  14 1
            8     5   4 1
            9    14  15 1
            10    5   6 2
            11    1  16 1
            12    6   7 1
            13   16  17 1
            14    7   8 2
            15   17  18 1
            16    8   9 1
            17   18  19 1
            18    9   5 1
            19   19  20 1
            20    4   1 1
            21   20  21 1
            22    4  10 2
            23   20  22 2


entry: D01631
name: --- - Pentagastrin (JAN/USAN) - Peptavlon (TN)
formula: C37H49N7O9S
activity: Diagnostic aid [gastric secretion indicator]
remark: Therapeutic category: 7290
kcf:
ATOM        54
            1   C1b C    28.2203  -22.5202
            2   C8y C    35.4999  -22.4989
            3   C8x C    35.4927  -23.9037
            4   C8x C    36.7058  -24.6123
            5   C8x C    37.9258  -23.9160
            6   C8x C    37.9330  -22.5112
            7   C8x C    36.7199  -21.8026
            8   C8y C    24.8643  -15.8982
            9   C8y C    26.2691  -15.8982
            10  C8x C    26.9715  -14.6816
            11  C8x C    26.2691  -13.4649
            12  C8x C    24.8643  -13.4649
            13  C8x C    24.1619  -14.6816
            14  C8y C    24.5789  -17.2680
            15  C8x C    25.7865  -17.9663
            16  N4x N    26.8240  -17.0333
            17  C1b C    19.7346  -20.4342
            18  C5a C    20.9478  -19.7318
            19  N1b N    22.1611  -20.4271
            20  C1c C    23.3743  -19.7247
            21  C5a C    24.5876  -20.4201
            22  N1b N    25.8008  -19.7177
            23  C1c C    27.0141  -20.4130
            24  C5a C    28.2273  -19.7106
            25  N1b N    29.4406  -20.4058
            26  C1c C    30.6538  -19.7034
            27  C5a C    31.8671  -20.3988
            28  N1b N    33.0803  -19.6964
            29  C1c C    34.2936  -20.3917
            30  C5a C    35.5068  -19.6893
            31  O5a O    20.9408  -18.3270
            32  C1b C    23.3673  -17.9699
            33  O5a O    24.5806  -21.8249
            34  C1b C    27.0071  -21.8178
            35  C1b C    30.6469  -17.7386
            36  O5a O    28.2203  -18.3057
            37  O5a O    31.8601  -21.8036
            38  C1b C    34.2866  -21.7965
            39  O5a O    35.4999  -18.2845
            40  N1a N    36.7201  -20.3917
            41  C6a C    31.8601  -17.0362
            42  O6a O    33.0734  -17.7316
            43  O6a O    31.8529  -15.6314
            44  S2a S    28.2159  -23.9250
            45  C1a C    29.4304  -24.6312
            46  C1b C    18.5143  -19.7390
            47  N1b N    17.3011  -20.4414
            48  C7a C    16.0878  -19.7460
            49  O7a O    14.8746  -20.4484
            50  C1b C    13.6613  -19.7531
            51  C1c C    12.4481  -20.4555
            52  O7a O    16.0848  -18.3412
            53  C1a C    11.2307  -19.7547
            54  C1a C    12.4498  -21.8604
BOND        56
            1    26  27 1
            2    15  16 1
            3    27  28 1
            4    16   9 1
            5    28  29 1
            6     8  14 1
            7    29  30 1
            8     3   4 1
            9     4   5 2
            10   18  31 2
            11    5   6 1
            12   20  32 1 #Up
            13   21  33 2
            14    6   7 2
            15   23  34 1 #Down
            16   26  35 1 #Up
            17    8   9 2
            18   24  36 2
            19   17  18 1
            20   27  37 2
            21    9  10 1
            22   29  38 1 #Down
            23   18  19 1
            24   30  39 2
            25   10  11 2
            26   30  40 1
            27   32  14 1
            28   34   1 1
            29   19  20 1
            30   35  41 1
            31   11  12 1
            32   41  42 1
            33   38   2 1
            34   20  21 1
            35   41  43 2
            36   12  13 2
            37    1  44 1
            38   21  22 1
            39   44  45 1
            40   17  46 1
            41   13   8 1
            42   46  47 1
            43   22  23 1
            44   47  48 1
            45    7   2 1
            46   48  49 1
            47   23  24 1
            48   49  50 1
            49   24  25 1
            50   50  51 1
            51    2   3 2
            52   48  52 2
            53   25  26 1
            54   51  53 1
            55   14  15 2
            56   51  54 1


entry: D01632
name: --- - Dexamethasone propionate (JAN) - Dexamethasone dipropionate (USAN) - Hifmeta (TN)
formula: C28H37FO7
activity: Anti-inflammatory [steroid]
remark: Therapeutic category: 2646
kcf:
ATOM        36
            1   C2x C    18.6476  -17.5714
            2   C5x C    18.6476  -18.9149
            3   C2x C    19.8111  -19.5866
            4   C2y C    20.9746  -18.9149
            5   C1z C    20.9746  -17.5714
            6   C2x C    19.8111  -16.8996
            7   C1x C    22.1382  -19.5866
            8   C1x C    23.3015  -18.9149
            9   C1y C    23.3015  -17.5714
            10  C1z C    22.1382  -16.8996
            11  C1y C    24.4651  -16.8996
            12  C1z C    24.4651  -15.5561
            13  C1x C    23.3015  -14.8844
            14  C1y C    22.1382  -15.5561
            15  C1x C    26.7921  -16.8996
            16  C1y C    26.7921  -15.5561
            17  C1z C    25.6286  -14.8844
            18  C1a C    20.9746  -16.2278
            19  O1a O    20.9765  -14.8856
            20  C1a C    24.4651  -14.2127
            21  C1a C    27.9432  -14.8914
            22  C5a C    25.6286  -13.2051
            23  X   F    22.1382  -18.2431
            24  O7a O    27.3464  -13.7974
            25  O5x O    17.4842  -19.5866
            26  O5a O    26.7961  -12.5311
            27  C1b C    24.4690  -12.5355
            28  O7a O    23.3237  -13.1970
            29  C7a C    28.7322  -13.7974
            30  O7a O    29.4335  -15.0127
            31  C1b C    29.4307  -12.5875
            32  C1a C    30.8165  -12.5875
            33  C7a C    22.1401  -12.5134
            34  C1b C    20.9300  -13.2121
            35  O7a O    22.1409  -11.0989
            36  C1a C    19.7253  -12.5168
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 #Down
            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   24  29 1
            33   29  30 2
            34   29  31 1
            35   31  32 1
            36   28  33 1
            37   33  34 1
            38   33  35 2
            39   34  36 1


entry: D01633
name: --- - Enocitabine (JAN) - Sunrabin (TN)
formula: C31H55N3O6
remark: Therapeutic category: 4224
kcf:
ATOM        40
            1   C1y C    10.7100  -10.7100
            2   C1y C    12.1100  -10.7100
            3   C1y C    12.5426   -9.3785
            4   O2x O    11.4100   -8.5556
            5   C1y C    10.2774   -9.3785
            6   C1b C     8.9578   -8.9497
            7   N4y N    13.8622   -8.9497
            8   O1a O    12.9329  -11.8426
            9   O1a O     9.8871  -11.8426
            10  C8x C    13.8622   -7.5497
            11  C8y C    15.0747   -9.6497
            12  N5x N    16.2871   -8.9497
            13  C8y C    16.2871   -7.5497
            14  C8x C    15.0747   -6.8497
            15  O5x O    15.0749  -11.0598
            16  N1b N    17.5120   -6.8423
            17  C5a C    18.7231   -7.5413
            18  C1b C    20.0425   -6.8601
            19  O5a O    18.7237   -8.9596
            20  C1b C    21.3080   -7.5503
            21  C1a C    22.7051   -6.8647
            22  O1a O     7.9135   -9.8899
            23  C1b C    20.0425   -6.8601
            24  C1b C    21.3080   -7.5503
            25  C1b C    20.0425   -6.8601
            26  C1b C    21.3080   -7.5503
            27  C1b C    20.0425   -6.8601
            28  C1b C    21.3080   -7.5503
            29  C1b C    20.0425   -6.8601
            30  C1b C    21.3080   -7.5503
            31  C1b C    20.0425   -6.8601
            32  C1b C    21.3080   -7.5503
            33  C1b C    20.0425   -6.8601
            34  C1b C    21.3080   -7.5503
            35  C1b C    20.0425   -6.8601
            36  C1b C    21.3080   -7.5503
            37  C1b C    20.0425   -6.8601
            38  C1b C    21.3080   -7.5503
            39  C1b C    20.0425   -6.8601
            40  C1b C    21.3080   -7.5503
BOND        41
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1 #Up
            7     3   7 1 #Up
            8     2   8 1 #Up
            9     1   9 1 #Down
            10    7  10 1
            11    7  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   10  14 2
            16   11  15 2
            17   13  16 1
            18   16  17 1
            19   17  19 2
            20    6  22 1
            21   17  18 1
            22   18  20 1
            23   20  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   34  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   38  39 1
            40   39  40 1
            41   40  21 1


entry: D01634
name: --- - Piretanide (JAN/USAN) - Arelix (TN)
formula: C17H18N2O5S
activity: Diuretic
remark: Therapeutic category: 2139
kcf:
ATOM        25
            1   C1x C    23.9484  -23.0592
            2   C1x C    24.3859  -21.7234
            3   N1y N    23.2457  -20.8941
            4   C1x C    22.1057  -21.7234
            5   C1x C    22.5430  -23.0592
            6   C8y C    24.4382  -18.8147
            7   C8y C    23.2399  -19.5079
            8   C8y C    24.4324  -17.4342
            9   O2a O    25.6307  -19.5020
            10  C8x C    22.0357  -18.8147
            11  C8x C    23.2339  -16.7410
            12  S4a S    25.6307  -16.7410
            13  C8y C    27.0816  -20.2304
            14  C8y C    22.0357  -17.4342
            15  C8x C    27.0816  -21.6168
            16  C8x C    28.2858  -19.5313
            17  C6a C    20.8432  -16.7352
            18  C8x C    28.2858  -22.3099
            19  C8x C    29.4783  -20.2304
            20  O6a O    19.6389  -17.4342
            21  O6a O    20.8432  -15.3547
            22  C8x C    29.4783  -21.6168
            23  N1a N    26.8439  -16.0286
            24  O3c O    24.9203  -15.5175
            25  O3c O    26.3257  -17.9522
BOND        27
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     6   7 1
            5     6   8 2
            6     6   9 1
            7     7  10 2
            8     7   3 1
            9     8  11 1
            10    8  12 1
            11    9  13 1
            12   10  14 1
            13   13  15 2
            14   13  16 1
            15   14  17 1
            16   15  18 1
            17   16  19 2
            18   17  20 1
            19   17  21 2
            20   18  22 2
            21   11  14 2
            22   19  22 1
            23    5   1 1
            24   12  23 1
            25   12  24 2
            26    1   2 1
            27   12  25 2


entry: D01635
name: --- - Methoxyphenamine hydrochloride (JAN) - Phenamine (TN)
formula: C11H17NO. HCl
remark: Therapeutic category: 2259
comment: Component of Asthma (TN)
kcf:
ATOM        14
            1   C8x C    21.0519  -19.4021
            2   C8x C    21.0519  -20.8023
            3   C8x C    22.2674  -21.5023
            4   C8y C    23.4758  -20.8023
            5   C8y C    23.4758  -19.4021
            6   C8x C    22.2674  -18.7020
            7   O2a O    24.6889  -21.5013
            8   C1a C    25.9010  -20.8004
            9   C1c C    24.6889  -18.7029
            10  C1b C    25.9010  -19.4038
            11  N1b N    24.6899  -17.3027
            12  C1a C    25.9030  -16.6035
            13  C1a C    27.1141  -18.7047
            14  X   Cl   30.3226  -19.4021
BOND        13
            1     4   7 1
            2     7   8 1
            3     1   2 2
            4     5   9 1
            5     2   3 1
            6     9  10 1
            7     3   4 2
            8     9  11 1
            9     4   5 1
            10   11  12 1
            11    5   6 2
            12   10  13 1
            13    6   1 1


entry: D01636
name: --- - Midecamycin acetate (JP15) - Miocamycin (TN)
formula: C45H71NO17
remark: Therapeutic category: 6146
kcf:
ATOM        63
            1   O7a O     7.2806  -13.4468
            2   C7a C     8.1056  -13.4468
            3   C1y C     8.7631  -10.6446
            4   C1y C     9.4399  -11.0405
            5   O2a O     8.0891  -11.0405
            6   C1y C     8.7631   -9.8671
            7   C1y C    10.1241  -10.6446
            8   N1c N     9.4399  -11.8222
            9   C1y C     7.4158  -11.4296
            10  O2x O     9.4399   -9.4780
            11  C1a C     8.0926   -9.4780
            12  C1y C    10.1241   -9.8671
            13  O1a O    10.8016  -11.0405
            14  C1a C    10.1172  -12.2106
            15  C1a C     8.7666  -12.2106
            16  C1x C     7.4158  -12.2071
            17  O2x O     6.7315  -11.0405
            18  O2a O    11.4890   -8.2764
            19  C1z C     6.7315  -12.6030
            20  C1y C     6.0547  -11.4296
            21  C1y C     9.4021   -6.0402
            22  C1y C     6.0547  -12.2071
            23  C1a C     6.2038  -13.3495
            24  C1a C     5.3842  -11.0405
            25  C1y C     9.3987   -5.2379
            26  C1y C     8.7110   -6.4466
            27  O7a O     5.3842  -12.6030
            28  C1x C     8.7006   -4.8454
            29  C1b C    10.0685   -4.8419
            30  C1y C     8.7144   -7.2905
            31  O2a O     8.0301   -6.0609
            32  C1y C     8.7006   -4.0576
            33  C4a C    10.7494   -5.2276
            34  C1x C     8.0163   -7.6517
            35  C1y C     8.0128   -3.6685
            36  C1a C     9.3739   -3.6651
            37  O4a O    11.4227   -4.8316
            38  C7x C     7.3077   -7.2592
            39  C2x C     7.3395   -4.0576
            40  O7a O     8.0128   -2.8915
            41  O7x O     6.6000   -7.6483
            42  O7x O     7.3077   -6.4776
            43  C2x C     7.3395   -4.8454
            44  C1y C     5.9019   -7.2240
            45  C2x C     6.6483   -5.2379
            46  C1x C     5.8916   -6.3975
            47  C1a C     5.2141   -7.5992
            48  C2x C     6.6379   -6.0298
            49  C1a C     8.0238   -5.2829
            50  C7a C     4.7100  -12.2205
            51  C1b C     4.0394  -12.6164
            52  O7a O     4.7022  -11.4462
            53  O7a O     9.4250   -7.7000
            54  C7a C     9.4257   -8.5250
            55  O7a O    10.1405   -8.9369
            56  C1b C     8.7116   -8.9381
            57  C7a C     8.6857   -2.5030
            58  O7a O     8.6857   -1.7260
            59  C1a C     9.3586   -2.8915
            60  C1a C     7.9967   -8.5262
            61  C1a C     3.3612  -12.2336
            62  O7a O     8.5181  -14.1613
            63  C1a C     8.5181  -12.7323
BOND        65
            1    19  23 1 #Down
            2    19   1 1 #Up
            3    20  24 1 #Down
            4    21  25 1
            5    21  26 1
            6    22  27 1 #Up
            7    25  28 1
            8    25  29 1 #Down
            9    26  30 1
            10   26  31 1 #Down
            11   28  32 1
            12   29  33 1
            13   30  34 1
            14   32  35 1
            15   32  36 1 #Down
            16   33  37 2
            17   34  38 1
            18   35  39 1
            19   35  40 1 #Down
            20   38  41 1
            21   38  42 2
            22   39  43 2
            23   41  44 1
            24   43  45 1
            25   44  46 1
            26   44  47 1 #Down
            27   45  48 2
            28   10  12 1
            29   20  22 1
            30   46  48 1
            31   31  49 1
            32    3   4 1
            33   27  50 1
            34    3   5 1 #Down
            35   50  51 1
            36    3   6 1
            37   50  52 2
            38    4   7 1
            39    4   8 1 #Up
            40    9   5 1 #Up
            41    6  10 1
            42    6  11 1 #Up
            43    7  12 1
            44    7  13 1 #Down
            45    8  14 1
            46   30  53 1 #Down
            47    8  15 1
            48   53  54 1
            49    9  16 1
            50   54  55 2
            51    9  17 1
            52   54  56 1
            53   40  57 1
            54    1   2 1
            55   57  58 2
            56   12  18 1 #Up
            57   57  59 1
            58   16  19 1
            59   56  60 1
            60   17  20 1
            61   51  61 1
            62   21  18 1 #Down
            63    2  62 2
            64   19  22 1
            65    2  63 1


