# drugs

entry: D03546
name: --- - Clofarabine (USAN) - Clolar (TN)
formula: C10H11ClFN5O3
remark: Therapeutic category: 4229
activity:
Treatment of primary refractory or relapsed acute myelogenous leukemia (AML) or acute lymphoblastic leukemia (ALL) in pediatric and adult patients

kcf:
ATOM        20
            1   C1y C    23.0884  -19.5314
            2   C1y C    24.4740  -19.5314
            3   C1y C    24.9021  -18.2136
            4   O2x O    23.7812  -17.3992
            5   C1y C    22.6603  -18.2136
            6   N5x N    27.3020  -19.5991
            7   C8y C    27.3020  -18.2136
            8   N4y N    26.1021  -17.5208
            9   C1b C    21.4603  -17.5208
            10  O1a O    20.2604  -18.2136
            11  X   F    25.2884  -20.6523
            12  O1a O    22.2740  -20.6523
            13  C8y C    28.5019  -20.2919
            14  N5x N    29.7019  -19.5991
            15  C8y C    29.7019  -18.2136
            16  C8y C    28.5019  -17.5208
            17  C8x C    26.5178  -16.1371
            18  N5x N    28.0862  -16.1367
            19  X   Cl   28.5019  -21.6790
            20  N1a N    30.9035  -17.5196
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 1
            7     7   8 1
            8     3   8 1 #Up
            9     5   9 1 #Up
            10    9  10 1
            11    2  11 1 #Up
            12    1  12 1 #Down
            13    6  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17    7  16 2
            18    8  17 1
            19   16  18 1
            20   17  18 2
            21   13  19 1
            22   15  20 1


entry: D03547
name: --- - Clofilium phosphate (USAN)
formula: C21H37ClN. H2PO4
activity: Cardiac depressant [anti-arrhythmic]
remark: Therapeutic category: 2129
kcf:
ATOM        28
            1   P1b P    27.2300  -12.6700
            2   O3b O    27.2300  -11.2700
            3   O1c O    27.2300  -14.0700
            4   O0  O    28.6766  -12.6700 #-
            5   O1c O    25.8766  -12.6700
            6   C8y C    18.9445  -14.0042
            7   C8x C    18.9445  -15.4067
            8   C8x C    20.1592  -16.1080
            9   C8y C    21.3738  -15.4067
            10  C8x C    21.3738  -14.0042
            11  C8x C    20.1592  -13.3029
            12  C1b C    17.7300  -13.3029
            13  C1b C    16.5152  -14.0042
            14  C1b C    15.3007  -13.3029
            15  C1b C    14.0860  -14.0042
            16  N1d N    12.8714  -13.3029 #+
            17  C1b C    11.6567  -14.0042
            18  C1b C    10.4422  -13.3029
            19  C1b C     9.2274  -14.0042
            20  C1b C     8.0129  -13.3029
            21  C1b C     6.7981  -14.0042
            22  C1b C     5.5836  -13.3029
            23  C1a C     4.3689  -14.0042
            24  X   Cl   22.5912  -16.1080
            25  C1b C    14.0562  -12.6188
            26  C1b C    11.6481  -12.5967
            27  C1a C    11.6440  -11.2233
            28  C1a C    14.0413  -11.2233
BOND        27
            1     1   3 1
            2     1   4 1
            3     1   5 1
            4     1   2 2
            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    6  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    9  24 1
            24   16  25 1
            25   16  26 1
            26   26  27 1
            27   25  28 1


entry: D03548
name: --- - Cloflucarban (USAN)
formula: C14H9Cl2F3N2O
activity: Disinfectant
kcf:
ATOM        22
            1   C8y C    10.0800  -18.2700
            2   C8y C    10.0800  -19.6700
            3   C8x C    11.2924  -20.3700
            4   C8x C    12.5049  -19.6700
            5   C8y C    12.5049  -18.2700
            6   C8x C    11.2924  -17.5700
            7   N1b N    13.7360  -17.5590
            8   X   Cl    8.8676  -20.3700
            9   C1d C     8.8676  -17.5700
            10  X   F     7.6551  -16.8700
            11  X   F     9.5730  -16.3479
            12  X   F     8.1734  -18.7727
            13  C5a C    14.9412  -18.2547
            14  N1b N    16.1235  -17.5719
            15  C8y C    17.3175  -18.2612
            16  O5a O    14.9416  -19.6696
            17  C8x C    17.3176  -19.6697
            18  C8x C    18.5301  -20.3696
            19  C8y C    19.7425  -19.6695
            20  C8x C    19.7423  -18.2609
            21  C8x C    18.5298  -17.5611
            22  X   Cl   20.9534  -20.3684
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     2   8 1
            9     1   9 1
            10    9  10 1
            11    9  11 1
            12    9  12 1
            13    7  13 1
            14   13  14 1
            15   14  15 1
            16   13  16 2
            17   15  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   15  21 1
            23   19  22 1


entry: D03549
name: --- - Clogestone acetate (USAN)
formula: C25H33ClO5
activity: Progestin
kcf:
ATOM        31
            1   C1z C    45.2353  -23.6114
            2   C1z C    44.0488  -24.2803
            3   C1x C    46.4105  -24.2979
            4   O7a O    46.4105  -22.9134
            5   C5a C    45.2238  -22.2386
            6   C1y C    44.0428  -25.6475
            7   C1x C    42.8795  -23.5939
            8   C1a C    44.0314  -22.9134
            9   C1x C    46.4048  -25.5891
            10  C7a C    47.5971  -23.5939
            11  C1a C    44.0255  -21.5463
            12  O5a O    46.4048  -21.5405
            13  C1y C    42.8562  -26.3280
            14  C1x C    41.6170  -24.2630
            15  C1a C    48.7780  -22.9075
            16  O7a O    47.5913  -24.9667
            17  C1y C    41.6754  -25.6299
            18  C2x C    42.8562  -27.6951
            19  C1z C    40.4885  -26.3164
            20  C2y C    41.6637  -28.3816
            21  C2y C    40.4828  -27.6835
            22  C1x C    39.3079  -25.6242
            23  C1a C    40.4771  -24.9435
            24  C2x C    39.3079  -28.3756
            25  C1x C    38.1153  -26.3164
            26  C1y C    38.1153  -27.6835
            27  X   Cl   41.6551  -29.7953
            28  O7a O    36.9093  -28.3781
            29  C7a C    35.7329  -27.6972
            30  C1a C    34.5369  -28.3861
            31  O7a O    35.7344  -26.3006
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1
            14   10  15 1
            15   10  16 2
            16   13  17 1
            17   13  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 1
            21   19  22 1
            22   19  23 1 #Up
            23   21  24 2
            24   22  25 1
            25   24  26 1
            26    6   9 1
            27   14  17 1
            28   20  21 1
            29   25  26 1
            30   20  27 1
            31   26  28 1 #Up
            32   28  29 1
            33   29  30 1
            34   29  31 2


entry: D03550
name: --- - Clomegestone acetate (USAN)
formula: C24H31ClO4
activity: Progestin
kcf:
ATOM        29
            1   C1x C    17.8485  -15.8189
            2   C5x C    17.8485  -17.1802
            3   C2x C    19.0274  -17.8610
            4   C2y C    20.2063  -17.1802
            5   C1z C    20.2063  -15.8189
            6   C1x C    19.0274  -15.1382
            7   C2y C    21.3854  -17.8610
            8   C2x C    22.5643  -17.1802
            9   C1y C    22.5643  -15.8189
            10  C1y C    21.3854  -15.1382
            11  C1y C    23.7432  -15.1382
            12  C1z C    23.7432  -13.7769
            13  C1x C    22.5643  -13.0962
            14  C1x C    21.3854  -13.7769
            15  C1x C    26.1012  -15.1382
            16  C1y C    26.1012  -13.7769
            17  C1z C    24.9222  -13.0962
            18  X   Cl   21.3879  -19.2223
            19  C1a C    27.2848  -13.0936
            20  C1a C    23.6808  -12.4156
            21  C1a C    20.2081  -14.4576
            22  O5x O    16.6695  -17.8610
            23  C5a C    24.9219  -11.6912
            24  C1a C    23.6703  -10.9687
            25  O5a O    26.1367  -10.9894
            26  O7a O    27.4647  -11.4862
            27  C7a C    28.6771  -12.1862
            28  C1a C    29.8895  -11.4862
            29  O7a O    28.6772  -13.5798
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    7  18 1
            22   16  19 1 #Down
            23   12  20 1 #Up
            24    5  21 1 #Up
            25    2  22 2
            26   17  23 1 #Up
            27   23  24 1
            28   23  25 2
            29   17  26 1 #Down
            30   26  27 1
            31   27  28 1
            32   27  29 2


entry: D03551
name: --- - Clometherone (USAN)
formula: C22H31ClO2
activity: Anti-estrogen
kcf:
ATOM        25
            1   C1y C    21.2685  -12.2684
            2   C1z C    20.1501  -12.8989
            3   C1y C    22.3760  -12.9155
            4   C5a C    21.2576  -10.9746
            5   C1y C    20.1444  -14.1875
            6   C1x C    19.0480  -12.2520
            7   C1a C    20.1337  -11.6106
            8   C1x C    22.3707  -14.1984
            9   C1a C    20.1282  -10.3221
            10  O5a O    22.3707  -10.3165
            11  C1y C    19.0261  -14.8290
            12  C1x C    17.9240  -12.8826
            13  C1y C    17.9131  -14.1709
            14  C1x C    19.0261  -16.1175
            15  C1z C    16.7944  -14.8180
            16  C1y C    17.9021  -16.7645
            17  C2y C    16.7891  -16.1066
            18  C1x C    15.6817  -14.1656
            19  C1a C    16.7837  -13.5240
            20  C2x C    15.6817  -16.7589
            21  C1x C    14.5577  -14.8180
            22  C5x C    14.5577  -16.1066
            23  O5x O    13.4209  -16.7612
            24  C1a C    23.5247  -12.2594
            25  X   Cl   17.8947  -18.1335
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12   11  13 1
            13   11  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 1
            18   15  19 1 #Up
            19   17  20 2
            20   18  21 1
            21   20  22 1
            22    5   8 1
            23   12  13 1
            24   16  17 1
            25   21  22 1
            26   22  23 2 #Up
            27    3  24 1 #Down
            28   16  25 1 #Down


entry: D03552
name: --- - Clominorex (USAN)
formula: C9H9ClN2O
activity: Anorexic
kcf:
ATOM        13
            1   C8x C    21.4200  -14.5600
            2   C8y C    21.4200  -15.9600
            3   C8x C    22.6100  -16.6600
            4   C8x C    23.8700  -15.9600
            5   C8y C    23.8700  -14.5600
            6   C8x C    22.6100  -13.8600
            7   C1y C    25.0600  -13.8600
            8   O2x O    26.3797  -14.2594
            9   C2y C    27.2219  -13.0959
            10  N2x N    26.3797  -12.0020
            11  C1x C    25.0253  -12.4534
            12  X   Cl   20.2300  -16.6600
            13  N1a N    28.6285  -13.0612
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    7  11 1
            13    2  12 1
            14    9  13 1


entry: D03553
name: --- - Clonitrate (USAN)
formula: C3H5ClN2O6
activity: Vasodilator [coronary]
kcf:
ATOM        12
            1   X   Cl    9.9400  -13.3700
            2   C1b C    11.1524  -12.6700
            3   C1c C    12.3649  -13.3700
            4   C1b C    13.5773  -12.6700
            5   O2a O    14.7897  -13.3700
            6   N2b N    16.0022  -12.6700 #+
            7   O0  O    17.2146  -13.3700 #-
            8   O2a O    12.3649  -14.7698
            9   N2b N    13.5961  -15.4808 #+
            10  O0  O    15.1511  -14.5752 #-
            11  O3a O    13.5958  -16.8699
            12  O3a O    16.0022  -11.2703
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     3   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 2
            11    6  12 2


entry: D03554
name: --- - Clonixeril (USAN)
formula: C16H17ClN2O4
activity: Analgesic
kcf:
ATOM        23
            1   N5x N    17.1794  -18.0639
            2   C8y C    17.1794  -16.6616
            3   C8y C    15.9650  -15.9603
            4   C8x C    14.7504  -16.6616
            5   C8x C    14.7504  -18.0639
            6   C8x C    15.9650  -18.7650
            7   C7a C    15.9650  -14.5580
            8   O7a O    14.7498  -13.8564
            9   O7a O    17.1787  -13.8572
            10  N1b N    18.3938  -15.9603
            11  C8y C    19.6088  -16.6620
            12  C8x C    19.6088  -18.0639
            13  C8x C    20.8233  -18.7650
            14  C8x C    22.0379  -18.0639
            15  C8y C    22.0379  -16.6620
            16  C8y C    20.8233  -15.9607
            17  C1a C    20.8234  -14.5580
            18  X   Cl   23.2547  -15.9593
            19  C1b C    17.1786  -12.4786
            20  C1c C    18.3949  -11.7763
            21  O1a O    19.5935  -12.4684
            22  C1b C    18.3949  -10.3751
            23  O1a O    19.5931   -9.6831
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     3   7 1
            8     7   8 2
            9     7   9 1
            10    2  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   11  16 2
            18   16  17 1
            19   15  18 1
            20    9  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 1
            24   22  23 1


entry: D03555
name: --- - Clonixin (USAN)
formula: C13H11ClN2O2
activity: Analgesic
kcf:
ATOM        18
            1   N5x N    17.1794  -18.0639
            2   C8y C    17.1794  -16.6616
            3   C8y C    15.9650  -15.9603
            4   C8x C    14.7504  -16.6616
            5   C8x C    14.7504  -18.0639
            6   C8x C    15.9650  -18.7650
            7   C6a C    15.9650  -14.5580
            8   O6a O    14.7498  -13.8564
            9   O6a O    17.1787  -13.8572
            10  N1b N    18.3938  -15.9603
            11  C8y C    19.6088  -16.6620
            12  C8x C    19.6088  -18.0639
            13  C8x C    20.8233  -18.7650
            14  C8x C    22.0379  -18.0639
            15  C8y C    22.0379  -16.6620
            16  C8y C    20.8233  -15.9607
            17  C1a C    20.8234  -14.5580
            18  X   Cl   23.2547  -15.9593
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 2
            9     7   9 1
            10    2  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   11  16 2
            18   16  17 1
            19   15  18 1


entry: D03556
name: --- - Zuclopenthixol - Clopixol (TN)
formula: C22H25ClN2OS
activity: Antipsychotic
remark: Therapeutic category: 1179
kcf:
ATOM        27
            1   C8x C    12.9655  -16.6834
            2   C8x C    12.9655  -18.0852
            3   C8x C    14.1794  -18.7860
            4   C8y C    15.3934  -18.0852
            5   C8y C    15.3934  -16.6834
            6   C8x C    14.1794  -15.9826
            7   S2x S    16.6073  -18.7860
            8   C8y C    17.8212  -18.0852
            9   C8y C    17.8212  -16.6834
            10  C8y C    16.6073  -15.9826
            11  C8x C    19.0352  -18.7860
            12  C8x C    20.2491  -18.0852
            13  C8y C    20.2491  -16.6834
            14  C8x C    19.0352  -15.9826
            15  C2b C    16.6073  -14.5808
            16  C1b C    17.8233  -13.8788
            17  C1b C    17.8233  -12.4770
            18  N1y N    19.0202  -11.7858
            19  C1x C    20.2100  -12.4727
            20  C1x C    21.4239  -11.7719
            21  N1y N    21.4239  -10.3701
            22  C1x C    20.2341   -9.6832
            23  C1x C    19.0202  -10.3841
            24  C1b C    22.6598   -9.6748
            25  C1b C    23.8738  -10.3756
            26  O1a O    25.0877   -9.6748
            27  X   Cl   21.4671  -15.9803
BOND        30
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 2
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   24  25 1
            29   25  26 1
            30   13  27 1


entry: D03557
name: --- - Cloperastine
formula: C20H24ClNO
remark: Therapeutic category: 2229
kcf:
ATOM        23
            1   C1c C    23.8638  -16.1765
            2   C8y C    22.6516  -16.8766
            3   C8y C    25.0876  -16.8766
            4   O2a O    23.8696  -14.7761
            5   C8x C    22.6516  -18.2770
            6   C8x C    21.4453  -16.1765
            7   C8x C    25.0758  -18.2770
            8   C8x C    26.2938  -16.1765
            9   C1b C    25.0876  -14.0760
            10  C8x C    21.4453  -18.9773
            11  C8x C    20.2333  -16.8766
            12  C8x C    26.2880  -18.9773
            13  C8x C    27.5060  -16.8766
            14  C8x C    20.2333  -18.2770
            15  C8y C    27.5000  -18.2770
            16  X   Cl   28.7178  -18.9833
            17  C1b C    26.2760  -14.7638
            18  N1y N    27.4669  -14.0778
            19  C1x C    28.6550  -14.7655
            20  C1x C    29.8682  -14.0668
            21  C1x C    29.8697  -12.6668
            22  C1x C    28.6816  -11.9791
            23  C1x C    27.4684  -12.6778
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: D03558
name: --- - Cloperidone hydrochloride (USAN)
formula: C21H23ClN4O2. HCl
activity: Sedative-hypnotic
kcf:
ATOM        29
            1   C8y C    23.2564   -9.6805
            2   C8y C    23.2564  -11.0801
            3   N4x N    22.0435   -8.9808
            4   C8x C    24.4694   -8.9808
            5   C8y C    22.0435  -11.7798
            6   C8x C    24.4694  -11.7798
            7   C8y C    20.8306   -9.6805
            8   C8x C    25.6823   -9.6805
            9   N4y N    20.8306  -11.0801
            10  O5x O    22.0435  -13.1794
            11  C8x C    25.6823  -11.0801
            12  O5x O    19.6176   -8.9808
            13  C1b C    19.6176  -11.7798
            14  C1b C    18.4047  -11.0801
            15  C1b C    17.2052  -11.7731
            16  N1y N    15.9982  -11.0765
            17  C1x C    15.9976   -9.6604
            18  C1x C    14.7848   -8.9609
            19  N1y N    13.5727   -9.6614
            20  C1x C    13.5733  -11.0775
            21  C1x C    14.7861  -11.7770
            22  C8y C    12.3648   -8.9648
            23  C8x C    12.3641   -7.5602
            24  C8x C    11.1514   -6.8608
            25  C8x C     9.9393   -7.5614
            26  C8y C     9.9400   -8.9659
            27  C8x C    11.1527   -9.6654
            28  X   Cl    8.7305   -9.6650
            29  X   Cl   28.0000  -11.0600
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 2
            12    9  13 1
            13   13  14 1
            14    7   9 1
            15    8  11 2
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1
            24   19  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   26  28 1


entry: D03559
name: --- - Clopidol (USAN)
formula: C7H7Cl2NO
activity: Coccidiostat [for poultry]
kcf:
ATOM        11
            1   C8y C    13.1600  -18.0600
            2   C8y C    13.1600  -19.4600
            3   C8y C    14.3724  -20.1600
            4   C8y C    15.5849  -19.4600
            5   C8y C    15.5849  -18.0600
            6   N5x N    14.3724  -17.3600
            7   C1a C    11.9476  -17.3600
            8   C1a C    16.8160  -17.3490
            9   O1a O    14.3724  -21.5598
            10  X   Cl   11.9476  -20.1600
            11  X   Cl   16.8160  -20.1710
BOND        11
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     3   9 1
            10    2  10 1
            11    4  11 1


entry: D03560
name: --- - Clopirac (USAN)
formula: C14H14ClNO2
activity: Anti-inflammatory
remark: Therapeutic category: 1149
kcf:
ATOM        18
            1   C8x C    20.3700  -15.1200
            2   C8y C    20.3700  -16.5200
            3   C8x C    21.5600  -17.2200
            4   C8x C    22.7500  -16.5200
            5   C8y C    22.7500  -15.1200
            6   C8x C    21.5600  -14.4200
            7   N4y N    24.0100  -14.4200
            8   C8y C    25.3174  -14.8579
            9   C8y C    26.1237  -13.7263
            10  C8x C    25.3140  -12.6081
            11  C8y C    24.0165  -13.0130
            12  X   Cl   19.1100  -17.2200
            13  C1a C    22.8783  -12.1371
            14  C1a C    25.7224  -16.1554
            15  C1b C    27.5307  -13.7329
            16  C6a C    28.2606  -12.5382
            17  O6a O    29.6676  -12.5448
            18  O6a O    27.5770  -11.2674
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    7  11 1
            13    2  12 1
            14   11  13 1
            15    8  14 1
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2


entry: D03561
name: --- - Cloprednol (USAN) - Cloradryn (TN)
formula: C21H25ClO5
activity: Glucocorticoid
kcf:
ATOM        27
            1   C1z C    26.5612  -17.3125
            2   C1z C    25.3973  -17.9686
            3   C1x C    27.7138  -17.9858
            4   C5a C    26.5498  -15.5323
            5   C1y C    25.3914  -19.3096
            6   C1x C    24.2506  -17.2954
            7   C1a C    25.3803  -16.6279
            8   C1x C    27.7082  -19.3210
            9   C1y C    24.2277  -19.9772
            10  C1y C    23.0809  -17.9516
            11  C1y C    23.0696  -19.2923
            12  C2x C    24.2277  -21.3181
            13  C1z C    21.9054  -19.9657
            14  C2y C    23.0581  -21.9913
            15  C2y C    21.8998  -21.3066
            16  C2x C    20.7475  -19.2868
            17  C1a C    21.8943  -18.6192
            18  C2x C    20.7475  -21.9855
            19  C2x C    19.5777  -19.9657
            20  C5x C    19.5777  -21.3066
            21  X   Cl   23.0496  -23.3780
            22  O5x O    18.3948  -21.9879
            23  O1a O    21.8315  -17.2130
            24  O1a O    27.8005  -16.5963
            25  O5a O    25.2953  -14.8190
            26  C1b C    27.7540  -14.8262
            27  O1a O    28.9509  -15.5070
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     5   9 1
            9     6  10 1
            10    9  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 1
            15   13  16 1
            16   13  17 1 #Up
            17   15  18 2
            18   16  19 2
            19   18  20 1
            20    5   8 1
            21   10  11 1
            22   14  15 1
            23   19  20 1
            24   14  21 1
            25   20  22 2 #Up
            26   10  23 1 #Up
            27    1  24 1 #Down
            28    4  25 2
            29    4  26 1
            30   26  27 1


entry: D03562
name: --- - Clorazepate monopotassium (USAN)
formula: C16H10ClN2O3. K
activity: Tranquilizer [minor]
remark: Therapeutic category: 1124
kcf:
ATOM        23
            1   C2y C    23.6628  -14.2949
            2   C8y C    22.8204  -13.1849
            3   C8y C    23.1557  -11.8276
            4   N1x N    24.4172  -11.2493
            5   N2x N    25.0692  -14.2501
            6   C5x C    25.6713  -11.8718
            7   C1y C    25.9579  -13.2410
            8   C8x C    22.1482  -10.8588
            9   C8x C    20.8057  -11.2471
            10  C8y C    20.4704  -12.6044
            11  C8x C    21.4779  -13.5729
            12  X   Cl   19.1051  -12.9989
            13  C8y C    23.0281  -15.5451
            14  C8x C    21.6259  -15.5451
            15  C8x C    20.9257  -16.7581
            16  C8x C    21.6259  -17.9710
            17  C8x C    23.0281  -17.9710
            18  C8x C    23.7284  -16.7581
            19  C6a C    27.1709  -13.9413
            20  O0  O    28.3838  -13.2410 #-
            21  O5x O    26.7809  -11.0138
            22  O6a O    27.1709  -15.3359
            23  Z   K    29.8318  -13.3052 #+
BOND        24
            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   10  12 1
            14    1  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   13  18 2
            21    7  19 1
            22   19  20 1
            23    6  21 2
            24   19  22 2


entry: D03563
name: --- - Clorethate (USAN)
formula: C5H4Cl6O3
activity: Sedative-hypnotic
remark: Therapeutic category: 1129
kcf:
ATOM        14
            1   C1d C    11.2224  -13.7900
            2   C1b C    12.4349  -14.4900
            3   O7a O    13.6473  -13.7900
            4   C7a C    14.8597  -14.4900
            5   O7a O    16.0722  -13.7900
            6   C1b C    17.2846  -14.4900
            7   C1d C    18.4970  -13.7900
            8   O7a O    14.8597  -15.8899
            9   X   Cl    9.9933  -14.4998
            10  X   Cl   19.6966  -14.4827
            11  X   Cl   18.4971  -12.3901
            12  X   Cl   19.6967  -13.0974
            13  X   Cl   11.2224  -12.3902
            14  X   Cl    9.9932  -13.0803
BOND        13
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     4   8 2
            8     1   9 1
            9     7  10 1
            10    7  11 1
            11    7  12 1
            12    1  13 1
            13    1  14 1


entry: D03564
name: --- - Clorophene (USAN) - Santophen 1 (TN)
formula: C13H11ClO
activity: Disinfectant
remark: Therapeutic category: 7322
kcf:
ATOM        15
            1   C8x C    14.0000  -15.6800
            2   C8x C    14.0000  -17.0800
            3   C8x C    15.2124  -17.7800
            4   C8x C    16.4249  -17.0800
            5   C8y C    16.4249  -15.6800
            6   C8x C    15.2124  -14.9800
            7   C1b C    17.6560  -14.9690
            8   C8y C    18.8612  -15.6647
            9   C8x C    18.8616  -17.0796
            10  C8y C    20.0742  -17.7793
            11  C8x C    21.2865  -17.0789
            12  C8x C    21.2860  -15.6639
            13  C8y C    20.0734  -14.9643
            14  O1a O    20.0732  -13.5801
            15  X   Cl   20.0746  -19.1799
BOND        16
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   13  14 1
            16   10  15 1


entry: D03565
name: --- - Clorsulon (USAN) - Curatrem (TN)
formula: C8H8Cl3N3O4S2
activity: Antiparasitic; Fasciolicide
kcf:
ATOM        20
            1   C8y C    22.4000  -13.5100
            2   C8x C    23.5200  -12.8100
            3   C8y C    22.4000  -14.8400
            4   S4a S    21.1400  -12.8100
            5   C8y C    24.7100  -13.5100
            6   C8x C    23.5900  -15.5400
            7   N1a N    21.2100  -15.5400
            8   N1a N    19.9500  -12.1800
            9   O3c O    20.5100  -14.0000
            10  O3c O    21.8400  -11.6200
            11  C8y C    24.7100  -14.8400
            12  S4a S    25.9000  -12.7400
            13  N1a N    27.0900  -12.0400
            14  O3c O    25.2000  -11.6200
            15  O3c O    26.6000  -13.9300
            16  C2c C    25.9345  -15.5187
            17  X   Cl   27.0997  -14.8185
            18  C2c C    25.8899  -16.9387
            19  X   Cl   24.6634  -17.5964
            20  X   Cl   27.0876  -17.6814
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12   12  13 1
            13   12  14 2
            14   12  15 2
            15    6  11 1
            16   11  16 1
            17   16  17 1
            18   16  18 2
            19   18  19 1
            20   18  20 1


entry: D03566
name: --- - Clortermine hydrochloride (USAN) - Voranil (TN)
formula: C10H14ClN. HCl
activity: Anorexic
kcf:
ATOM        13
            1   C8x C    13.2300  -17.8500
            2   C8x C    13.2300  -19.2500
            3   C8x C    14.4424  -19.9500
            4   C8y C    15.6549  -19.2500
            5   C8y C    15.6549  -17.8500
            6   C8x C    14.4424  -17.1500
            7   C1b C    16.8860  -17.1390
            8   X   Cl   16.8860  -19.9610
            9   C1d C    18.0912  -17.8347
            10  N1a N    19.2735  -17.1519
            11  C1a C    18.0916  -19.2496
            12  C1a C    19.2866  -18.5250
            13  X   Cl   24.1500  -18.5500
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     7   9 1
            10    9  10 1
            11    9  11 1
            12    9  12 1


entry: D03568
name: --- - Closiramine aceturate (USAN)
formula: C18H21ClN2. C4H7NO3
activity: Antihistaminic
kcf:
ATOM        29
            1   C1x C    14.5534  -17.3694
            2   C8y C    13.7113  -16.2598
            3   C8y C    14.0465  -14.9030
            4   C1y C    15.3075  -14.3249
            5   C1x C    15.9592  -17.3946
            6   C8y C    16.5611  -14.9472
            7   C8y C    16.8476  -16.3159
            8   C8x C    13.0394  -13.9346
            9   C8x C    11.6974  -14.3227
            10  C8y C    11.3622  -15.6795
            11  C8x C    12.3693  -16.6476
            12  C8x C    18.1788  -16.7530
            13  C8x C    19.2230  -15.8186
            14  C8x C    18.9366  -14.4499
            15  N5x N    17.6052  -14.0128
            16  X   Cl    9.9974  -16.0739
            17  C1b C    15.3292  -12.9500
            18  C1b C    16.5532  -12.2689
            19  N1c N    16.5060  -10.8511
            20  C1a C    15.2814  -10.1974
            21  C1a C    17.7050  -10.1046
            22  O6a O    20.7900  -13.3000
            23  C6a C    22.0024  -12.6000
            24  C1b C    23.2149  -13.3000
            25  N1b N    24.4273  -12.6000
            26  C5a C    25.6397  -13.3000
            27  C1a C    26.8522  -12.6000
            28  O6a O    22.0024  -11.2002
            29  O5a O    25.6397  -14.6999
BOND        30
            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   10  16 1
            19    4  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   23  28 2
            30   26  29 2


entry: D03569
name: --- - Cloticasone propionate (USAN)
formula: C25H31ClF2O5S
activity: Anti-inflammatory
kcf:
ATOM        34
            1   C1y C    20.0958  -15.4465
            2   C1z C    18.9176  -14.7524
            3   C1y C    21.2737  -14.7700
            4   C1x C    20.0958  -16.8112
            5   C1z C    17.7337  -15.4349
            6   C1y C    18.9293  -13.3936
            7   C1z C    21.2913  -13.4111
            8   C1x C    23.6358  -14.7991
            9   C1y C    18.9059  -17.4878
            10  C2y C    17.7279  -16.7996
            11  C2x C    16.5498  -14.7467
            12  C1x C    20.1191  -12.7171
            13  C1z C    22.4810  -12.7462
            14  C1a C    21.2504  -12.1864
            15  C1y C    23.6532  -13.4403
            16  C2x C    16.5498  -17.4818
            17  C2x C    15.3601  -15.4349
            18  O7a O    25.7649  -10.7222
            19  C5a C    22.4869  -11.0199
            20  C5x C    15.3601  -16.7996
            21  O5x O    14.1820  -17.4818
            22  X   F    18.8943  -16.0588
            23  C1a C    17.7337  -14.0349
            24  X   F    18.8977  -18.9000
            25  C1a C    25.0532  -13.4403
            26  O5a O    23.7015  -10.3242
            27  S2a S    21.2511  -10.3012
            28  C1b C    20.0631  -10.9823
            29  X   Cl   18.8764  -10.2921
            30  C7a C    26.9946  -11.3702
            31  C1b C    28.2110  -10.6042
            32  C1a C    29.4344  -11.2488
            33  O7a O    27.0478  -12.7397
            34  O1a O    17.6901  -12.6657
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Up
            14    8  15 1
            15   10  16 2
            16   11  17 2
            17   13  18 1 #Down
            18   13  19 1 #Up
            19   16  20 1
            20   20  21 2
            21    7  12 1
            22    9  10 1
            23   13  15 1
            24   17  20 1
            25    2  22 1 #Down
            26    5  23 1 #Up
            27    9  24 1 #Down
            28   15  25 1 #Down
            29   19  26 2
            30   19  27 1
            31   27  28 1
            32   28  29 1
            33   18  30 1
            34   30  31 1
            35   31  32 1
            36   30  33 2
            37    6  34 1 #Up


entry: D03570
name: --- - Clove (JP15) - Clove oil (JP15/NF)
activity: Pharmaceutic aid [flavor]
remark: Therapeutic category: 2750 2790 5100
comment:
The principal ingredient of Colve oil is Eugenol [DR:D04117]. Component of Palpack V (TN), Surgicalpack N (TN)


entry: D03571
name: --- - Cloxacillin benzathine (USP)
formula: (C19H18ClN3O5S)2. C16H20N2
activity: Antibacterial
remark: Therapeutic category: 6191
comment: penicillinase-resistant penicillin
kcf:
ATOM        76
            1   C1y C    25.1447  -10.9212
            2   C5x C    25.1447  -12.3126
            3   N1y N    26.5362  -12.3126
            4   C1y C    26.5362  -10.9212
            5   C1y C    27.8581  -12.7300
            6   C1z C    28.6931  -11.6168
            7   S2x S    27.8581  -10.5037
            8   C1a C    29.6670  -12.5909
            9   C1a C    29.6670  -10.6428
            10  C6a C    28.3452  -14.1215
            11  O6a O    29.7365  -14.1215
            12  O6a O    27.5103  -15.2347
            13  N1b N    23.9621  -10.2254
            14  C5a C    22.7793  -10.9212
            15  O5x O    23.9621  -13.0084
            16  O5a O    22.7793  -12.3126
            17  C8y C    21.5269  -10.2254
            18  C8y C    21.5269   -8.8341
            19  O2x O    20.2035   -8.4040
            20  N5x N    19.3857   -9.5296
            21  C8y C    20.2035  -10.6555
            22  C1a C    22.6527   -8.0161
            23  C8y C    20.2035  -12.0834
            24  C8y C    18.9507  -12.8071
            25  C8x C    18.9509  -14.2349
            26  C8x C    20.1875  -14.9487
            27  C8x C    21.4404  -14.2251
            28  C8x C    21.4402  -12.7972
            29  X   Cl   17.7188  -12.0960
            30  C8x C    32.1692  -10.1006
            31  C8x C    32.1692  -11.5028
            32  C8x C    33.3835  -12.2039
            33  C8y C    34.5978  -11.5028
            34  C8x C    34.5978  -10.1006
            35  C8x C    33.3835   -9.3996
            36  C1b C    35.8308  -12.2149
            37  N1b N    37.0379  -11.5181
            38  C1b C    38.2220  -12.2020
            39  C1b C    39.4178  -11.5116
            40  N1b N    40.6076  -12.1986
            41  C1b C    41.8005  -11.5099
            42  C8y C    42.9917  -12.1977
            43  C8x C    42.9917  -13.6058
            44  C8x C    44.2061  -14.3069
            45  C8x C    45.4203  -13.6058
            46  C8x C    45.4203  -12.1977
            47  C8x C    44.2061  -11.4967
            48  C1y C    25.1447  -10.9212
            49  C5x C    25.1447  -12.3126
            50  N1y N    26.5362  -12.3126
            51  C1y C    26.5362  -10.9212
            52  S2x S    27.8581  -10.5037
            53  C1z C    28.6931  -11.6168
            54  C1y C    27.8581  -12.7300
            55  C6a C    28.3452  -14.1215
            56  O6a O    29.7365  -14.1215
            57  O6a O    27.5103  -15.2347
            58  C1a C    29.6670  -12.5909
            59  C1a C    29.6670  -10.6428
            60  O5x O    23.9621  -13.0084
            61  N1b N    23.9621  -10.2254
            62  C5a C    22.7793  -10.9212
            63  O5a O    22.7793  -12.3126
            64  C8y C    21.5269  -10.2254
            65  C8y C    21.5269   -8.8341
            66  O2x O    20.2035   -8.4040
            67  N5x N    19.3857   -9.5296
            68  C8y C    20.2035  -10.6555
            69  C8y C    20.2035  -12.0834
            70  C8y C    18.9507  -12.8071
            71  C8x C    18.9509  -14.2349
            72  C8x C    20.1875  -14.9487
            73  C8x C    21.4404  -14.2251
            74  C8x C    21.4402  -12.7972
            75  X   Cl   17.7188  -12.0960
            76  C1a C    22.6527   -8.0161
BOND        83
            1    30  31 2
            2    31  32 1
            3    32  33 2
            4    33  34 1
            5    34  35 2
            6    30  35 1
            7    33  36 1
            8    36  37 1
            9    37  38 1
            10   38  39 1
            11   39  40 1
            12   40  41 1
            13   41  42 1
            14   42  43 2
            15   43  44 1
            16   44  45 2
            17   45  46 1
            18   46  47 2
            19   42  47 1
            20    1   2 1
            21    2   3 1
            22    3   4 1
            23    1   4 1
            24    3   5 1
            25    5   6 1
            26    6   7 1
            27    4   7 1
            28    6   8 1
            29    6   9 1
            30    5  10 1 #Down
            31   10  11 1
            32   10  12 2
            33    1  13 1 #Up
            34   13  14 1
            35    2  15 2
            36   14  16 2
            37   14  17 1
            38   17  18 2
            39   18  19 1
            40   19  20 1
            41   20  21 2
            42   17  21 1
            43   18  22 1
            44   21  23 1
            45   23  24 2
            46   24  25 1
            47   25  26 2
            48   26  27 1
            49   27  28 2
            50   23  28 1
            51   24  29 1
            52   48  49 1
            53   49  50 1
            54   50  51 1
            55   48  51 1
            56   50  54 1
            57   54  53 1
            58   53  52 1
            59   51  52 1
            60   53  58 1
            61   53  59 1
            62   54  55 1 #Down
            63   55  56 1
            64   55  57 2
            65   48  61 1 #Up
            66   61  62 1
            67   49  60 2
            68   62  63 2
            69   62  64 1
            70   64  65 2
            71   65  66 1
            72   66  67 1
            73   67  68 2
            74   64  68 1
            75   65  76 1
            76   68  69 1
            77   69  70 2
            78   70  71 1
            79   71  72 2
            80   72  73 1
            81   73  74 2
            82   69  74 1
            83   70  75 1


entry: D03572
name: --- - Cloxyquin (USAN)
formula: C9H6ClNO
activity: Antibacterial
kcf:
ATOM        12
            1   C8x C     8.3300  -17.5700
            2   C8x C     8.3300  -18.9700
            3   C8y C     9.5424  -19.6700
            4   C8y C    10.7549  -18.9700
            5   C8y C    10.7549  -17.5700
            6   C8y C     9.5424  -16.8700
            7   C8x C    11.9673  -19.6700
            8   C8x C    13.1797  -18.9700
            9   C8x C    13.1797  -17.5700
            10  N5x N    11.9673  -16.8700
            11  O1a O     9.5424  -15.4702
            12  X   Cl    9.5424  -21.0698
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    6  11 1
            13    3  12 1


entry: D03574
name: --- - Cobaltous chloride Co 57 (USAN) - Cobatope-57 (TN)
formula: CoCl2
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        3
            1   X   Cl   17.4140  -14.9701
            2   Z   Co   19.0295  -13.8511
            3   X   Cl   20.5237  -14.9701
BOND        2
            1     1   2 1
            2     2   3 1


entry: D03575
name: --- - Cobaltous chloride Co 60 (USAN) - Cobatope-60 (TN)
formula: CoCl2
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        3
            1   X   Cl   15.7500  -14.4200
            2   Z   Co   17.3824  -13.3700
            3   X   Cl   18.9449  -14.4200
BOND        2
            1     1   2 1
            2     2   3 1


entry: D03580
name: --- - Codeine sulfate (USP) - Codeine sulfate trihydrate
formula: (C18H21NO3. CH4)2. H2SO4. 3H2O
activity: Antitussive; Analgesic [narcotic]
remark: Therapeutic category: 2242 8115
kcf:
ATOM        54
            1   O0  O    34.7170  -16.0283
            2   C1z C    23.5910  -14.7890
            3   C8y C    23.5910  -13.4636
            4   C1y C    24.7768  -15.4866
            5   C1y C    22.4747  -15.4168
            6   C1x C    24.7768  -14.1612
            7   C8y C    22.4747  -12.8357
            8   C8y C    24.7768  -12.8357
            9   C1y C    25.8930  -14.7890
            10  C2x C    24.7768  -16.7423
            11  O2x O    21.1493  -14.0914
            12  C1y C    22.4747  -16.7423
            13  C1x C    27.0091  -14.1612
            14  C8y C    22.4747  -11.5102
            15  C1x C    25.8930  -13.5333
            16  C8x C    24.7768  -11.5102
            17  N1y N    27.0091  -15.4866
            18  C2x C    23.5910  -17.4399
            19  O1a O    21.3585  -17.4399
            20  C8x C    23.6607  -10.8824
            21  O2a O    21.3585  -10.8824
            22  C1a C    20.1727  -11.5102
            23  C1a C    28.4091  -15.4866
            24  S4a S    33.7120  -12.6400
            25  O3c O    33.7120  -11.2400
            26  O3c O    33.7120  -14.0400
            27  O1d O    32.3119  -12.6400
            28  O1d O    35.1119  -12.6400
            29  C0  C    28.3347  -15.1378
            30  O0  O    34.7170  -16.0283
            31  O0  O    34.7170  -16.0283
            32  C1z C    23.5910  -14.7890
            33  C8y C    23.5910  -13.4636
            34  C8y C    22.4747  -12.8357
            35  C8y C    22.4747  -11.5102
            36  C8x C    23.6607  -10.8824
            37  C8x C    24.7768  -11.5102
            38  C8y C    24.7768  -12.8357
            39  C1x C    25.8930  -13.5333
            40  C1y C    25.8930  -14.7890
            41  C1y C    24.7768  -15.4866
            42  C2x C    24.7768  -16.7423
            43  C2x C    23.5910  -17.4399
            44  C1y C    22.4747  -16.7423
            45  C1y C    22.4747  -15.4168
            46  O2x O    21.1493  -14.0914
            47  O1a O    21.3585  -17.4399
            48  N1y N    27.0091  -15.4866
            49  C1x C    27.0091  -14.1612
            50  C1x C    24.7768  -14.1612
            51  C1a C    28.4091  -15.4866
            52  O2a O    21.3585  -10.8824
            53  C1a C    20.1727  -11.5102
            54  C0  C    28.3347  -15.1378
BOND        56
            1    24  25 2
            2    24  26 2
            3    24  27 1
            4    24  28 1
            5     2   3 1
            6     2   4 1
            7     2   5 1
            8     2   6 1 #Up
            9     3   7 2
            10    3   8 1
            11    4   9 1
            12    4  10 1
            13    5  11 1 #Down
            14    5  12 1
            15    6  13 1
            16    7  14 1
            17    8  15 1
            18    8  16 2
            19    9  17 1 #Up
            20   10  18 2
            21   12  19 1 #Down
            22   14  20 2
            23   14  21 1
            24   21  22 1
            25    7  11 1
            26    9  15 1
            27   12  18 1
            28   13  17 1
            29   16  20 1
            30   17  23 1
            31   32  33 1
            32   32  41 1
            33   32  45 1
            34   32  50 1 #Up
            35   33  34 2
            36   33  38 1
            37   41  40 1
            38   41  42 1
            39   45  46 1 #Down
            40   45  44 1
            41   50  49 1
            42   34  35 1
            43   38  39 1
            44   38  37 2
            45   40  48 1 #Up
            46   42  43 2
            47   44  47 1 #Down
            48   35  36 2
            49   35  52 1
            50   52  53 1
            51   34  46 1
            52   40  39 1
            53   44  43 1
            54   49  48 1
            55   37  36 1
            56   48  51 1


entry: D03581
name: --- - Codoxime (USAN)
formula: C20H22N2O5
activity: Antitussive
kcf:
ATOM        27
            1   C1z C    28.0964  -14.6116
            2   C8y C    28.0964  -13.2882
            3   C1y C    29.2804  -15.3081
            4   C1y C    26.9819  -15.2385
            5   C1x C    29.2804  -13.9848
            6   C8y C    26.9819  -12.6614
            7   C8y C    29.2804  -12.6614
            8   C1y C    30.3949  -14.6116
            9   C2x C    29.2804  -16.5619
            10  O2x O    25.6586  -13.9151
            11  C2y C    26.9819  -16.5619
            12  C1x C    31.5093  -13.9848
            13  C8y C    26.9819  -11.3380
            14  C1x C    30.3949  -13.3579
            15  C8x C    29.2804  -11.3380
            16  N1y N    31.5093  -15.3081
            17  C2x C    28.0964  -17.2583
            18  C8x C    28.1660  -10.7112
            19  O2a O    25.8676  -10.7112
            20  C1a C    24.6835  -11.3380
            21  O2a O    24.5600  -16.5619
            22  N2b N    25.7710  -17.2610
            23  C1b C    23.3400  -17.2662
            24  C6a C    22.1472  -16.5773
            25  O6a O    20.9606  -17.2622
            26  O6a O    22.1471  -15.1704
            27  C1a C    32.9093  -15.3081
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 2
            17   13  18 2
            18   13  19 1
            19   19  20 1
            20    6  10 1
            21    8  14 1
            22   11  17 1
            23   12  16 1
            24   15  18 1
            25   21  22 1
            26   11  22 2
            27   21  23 1
            28   23  24 1
            29   24  25 1
            30   24  26 2
            31   16  27 1


entry: D03583
name: --- - Colestolone (USAN)
formula: C27H44O2
activity: Hypolipidemic
kcf:
ATOM        29
            1   C2y C    22.3292  -19.3944
            2   C2y C    21.1601  -20.0691
            3   C1z C    22.3292  -18.0451
            4   C5x C    24.6671  -19.3944
            5   C1y C    19.9970  -19.3944
            6   C1x C    21.1543  -21.4184
            7   C1y C    23.5098  -17.3705
            8   C1x C    21.1601  -17.3705
            9   C1a C    22.3232  -16.6959
            10  C1x C    24.6671  -18.0451
            11  C1z C    18.8164  -20.0691
            12  C1x C    19.9970  -18.0451
            13  C1x C    19.9970  -22.0931
            14  C1c C    23.5098  -16.0213
            15  C1y C    18.8164  -21.4184
            16  C1x C    17.6533  -19.3944
            17  C1a C    18.8047  -18.7198
            18  C1b C    24.7021  -15.3349
            19  C1a C    22.3116  -15.3293
            20  C1x C    17.6533  -22.0931
            21  C1x C    16.4842  -20.0691
            22  C1b C    25.8943  -16.0269
            23  C1y C    16.4842  -21.4184
            24  C1b C    27.0866  -15.3349
            25  O1a O    15.3036  -22.0931
            26  C1c C    28.2846  -16.0269
            27  C1a C    29.4769  -15.3407
            28  C1a C    28.2788  -17.6842
            29  O5x O    25.6411  -20.3687
BOND        32
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   26  27 1
            27   26  28 1
            28    7  10 1
            29    8  12 1
            30   13  15 1
            31   21  23 1
            32    4  29 2


entry: D03584
name: --- - Colforsin (USAN)
formula: C22H34O7
activity: Antiglaucoma agent
remark: Same as: C09076
kcf:
ATOM        29
            1   C1x C    20.4569  -14.2084
            2   C1x C    20.4569  -15.7398
            3   C1z C    21.6068  -16.4019
            4   C1y C    21.6068  -13.5461
            5   C1z C    22.7497  -14.2084
            6   C1y C    22.7440  -15.7398
            7   C1y C    23.8882  -16.4067
            8   C1y C    25.0378  -15.7497
            9   C1z C    23.8994  -13.5508
            10  C1z C    25.0378  -14.2207
            11  O2x O    26.1873  -13.5696
            12  C1z C    26.1983  -11.5217
            13  C1x C    25.0597  -10.8518
            14  C5x C    23.8404  -11.5030
            15  C2b C    27.3398  -10.8590
            16  C2a C    28.4837  -11.5147
            17  O1a O    23.8824  -17.7312
            18  O7a O    26.1835  -16.4141
            19  C1a C    25.0256  -12.8905
            20  C1a C    22.7378  -12.8840
            21  O1a O    21.5940  -12.2216
            22  O1a O    23.8855  -14.8703
            23  O5x O    22.6879  -10.8390
            24  C1a C    21.6113  -18.0761
            25  C1a C    20.4502  -17.0575
            26  C7a C    27.3319  -15.7545
            27  O7a O    27.3348  -14.4300
            28  C1a C    28.4538  -16.3849
            29  C1a C    26.1983   -9.9117
BOND        31
            1     7   8 1
            2     7  17 1 #Up
            3     8  10 1
            4     8  18 1 #Up
            5     9   5 1
            6    10  19 1 #Up
            7     3   6 1
            8     5  20 1 #Up
            9     5   4 1
            10    4  21 1 #Down
            11    4   1 1
            12    9  22 1 #Down
            13   14  23 2
            14    1   2 1
            15    3  24 1
            16    9  10 1
            17    3  25 1
            18   10  11 1
            19   11  12 1
            20   12  13 1
            21   13  14 1
            22   14   9 1
            23   18  26 1
            24   26  28 1
            25    2   3 1
            26   26  27 2
            27   12  15 1
            28    5   6 1
            29   15  16 2
            30    6   7 1
            31   12  29 1 #Up


entry: D03585
name: --- - Colfosceril palmitate (USAN)
formula: C40H80NO8P
activity: Pulmonary surfactant
comment: Component of Exosurf neonatal (TN)
kcf:
ATOM        50
            1   C1c C    19.0369  -15.1361
            2   C1b C    17.7774  -15.8358
            3   C1b C    20.2264  -15.8358
            4   O2b O    16.5878  -15.2060
            5   O7a O    21.4860  -15.1361
            6   P1b P    15.3982  -15.9059
            7   C7a C    22.6755  -15.8358
            8   O2b O    14.2086  -15.2060
            9   O0  O    15.3982  -14.5063 #-
            10  O3b O    15.3982  -17.3053
            11  C1b C    23.8650  -15.0661
            12  C1b C    12.9491  -15.9059
            13  C1b C    25.2645  -15.7658
            14  C1b C    11.7595  -15.2060
            15  C1a C    26.6641  -15.0661
            16  N1d N    10.5699  -15.9059 #+
            17  O7a O    19.0543  -13.3978
            18  C7a C    20.2906  -12.7044
            19  C1b C    21.4726  -13.4069
            20  O7a O    20.3084  -11.2948
            21  O7a O    22.7060  -17.2523
            22  C1b C    22.8266  -12.7260
            23  C1a C    24.5314  -13.4482
            24  C1a C     9.3575  -16.6059
            25  C1a C    11.2681  -17.1036
            26  C1a C     9.8580  -14.6846
            27  C1b C    21.4726  -13.4069
            28  C1b C    22.8266  -12.7260
            29  C1b C    21.4726  -13.4069
            30  C1b C    22.8266  -12.7260
            31  C1b C    21.4726  -13.4069
            32  C1b C    22.8266  -12.7260
            33  C1b C    21.4726  -13.4069
            34  C1b C    22.8266  -12.7260
            35  C1b C    21.4726  -13.4069
            36  C1b C    22.8266  -12.7260
            37  C1b C    21.4726  -13.4069
            38  C1b C    22.8266  -12.7260
            39  C1b C    23.8650  -15.0661
            40  C1b C    25.2645  -15.7658
            41  C1b C    23.8650  -15.0661
            42  C1b C    25.2645  -15.7658
            43  C1b C    23.8650  -15.0661
            44  C1b C    25.2645  -15.7658
            45  C1b C    23.8650  -15.0661
            46  C1b C    25.2645  -15.7658
            47  C1b C    23.8650  -15.0661
            48  C1b C    25.2645  -15.7658
            49  C1b C    23.8650  -15.0661
            50  C1b C    25.2645  -15.7658
BOND        49
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     6   9 1
            9     6  10 2
            10    8  12 1
            11   12  14 1
            12   14  16 1
            13    1  17 1 #Up
            14   17  18 1
            15   18  20 2
            16    7  21 2
            17   16  24 1
            18   16  25 1
            19   16  26 1
            20   18  19 1
            21   19  22 1
            22   22  27 1
            23   27  28 1
            24   28  29 1
            25   29  30 1
            26   30  31 1
            27   31  32 1
            28   32  33 1
            29   33  34 1
            30   34  35 1
            31   35  36 1
            32   36  37 1
            33   37  38 1
            34   38  23 1
            35    7  11 1
            36   11  13 1
            37   13  39 1
            38   39  40 1
            39   40  41 1
            40   41  42 1
            41   42  43 1
            42   43  44 1
            43   44  45 1
            44   45  46 1
            45   46  47 1
            46   47  48 1
            47   48  49 1
            48   49  50 1
            49   50  15 1


entry: D03587
name: --- - Colterol mesylate (USAN)
formula: C12H19NO3. CH4SO3
activity: Bronchodilator
remark: Therapeutic category: 2252
kcf:
ATOM        21
            1   C8x C     2.9400   -5.8100
            2   C8y C     2.9400   -4.4100
            3   C8y C     4.1300   -3.7100
            4   C8x C     5.3900   -4.4100
            5   C8y C     5.3900   -5.8100
            6   C8x C     4.1300   -6.5100
            7   O1a O     1.7500   -3.7100
            8   C1c C     6.5800   -6.5100
            9   O1a O     4.1300   -2.3100
            10  C1b C     7.7700   -5.8100
            11  N1b N     8.9600   -6.5100
            12  O1a O     6.5800   -7.9100
            13  C1d C    10.1500   -5.8100
            14  C1a C    11.3400   -6.5100
            15  C1a C    10.1500   -4.4100
            16  C1a C    11.3653   -5.1149
            17  O3c O    17.5091   -3.8863
            18  S4a S    17.5091   -5.2833
            19  C1a C    16.1122   -5.2833
            20  O1d O    18.9061   -5.2833
            21  O3c O    17.5091   -6.6802
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     3   9 1
            10    8  10 1
            11   10  11 1
            12    8  12 1
            13   11  13 1
            14   13  14 1
            15   13  15 1
            16   13  16 1
            17   17  18 2
            18   18  19 1
            19   18  20 1
            20   18  21 2


entry: D03588
name: --- - Conorphone hydrochloride (USAN)
formula: C23H29NO3. HCl
activity: Analgesic
kcf:
ATOM        28
            1   C1z C    10.6400  -13.5100
            2   C8y C    10.6400  -12.1800
            3   C1y C    11.7600  -14.1400
            4   C1y C     9.4500  -14.1400
            5   C1x C    11.5500  -12.6000
            6   C8y C     9.5200  -11.5500
            7   C8y C    11.7600  -11.5500
            8   C1y C    12.8800  -13.5100
            9   C1y C    11.7600  -15.4700
            10  O2x O     8.1900  -12.8100
            11  C5x C     9.4500  -15.4700
            12  C1x C    14.0000  -12.6000
            13  C8y C     9.5200  -10.2200
            14  C1x C    12.8800  -12.1800
            15  C8x C    11.7600  -10.2900
            16  N1y N    14.0000  -14.2100
            17  C1x C    10.6400  -16.1000
            18  C8x C    10.6400   -9.5900
            19  O2a O     8.4000   -9.5900
            20  O5x O     8.3300  -16.1000
            21  C1b C    12.9500  -16.1700
            22  C1a C     7.2100  -10.2900
            23  C1b C    15.4000  -14.2100
            24  C1a C    14.1400  -15.4700
            25  C1y C    16.1000  -12.9500
            26  C1x C    17.3347  -12.2901
            27  C1x C    16.1564  -11.5705
            28  X   Cl   18.9000  -14.1400
BOND        32
            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 2 #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    9  21 1 #Up
            26   19  22 1
            27   16  23 1
            28   21  24 1
            29   23  25 1
            30   25  26 1
            31   26  27 1
            32   27  25 1


entry: D03589
name: --- - Cormethasone acetate (USAN)
formula: C24H29F3O6
activity: Anti-inflammatory [topical]
kcf:
ATOM        33
            1   C2x C    17.9256  -15.0148
            2   C5x C    17.9256  -16.3784
            3   C2x C    19.1065  -17.0602
            4   C2y C    20.2875  -16.3784
            5   C1z C    20.2875  -15.0148
            6   C2x C    19.1065  -14.3329
            7   C1z C    21.4684  -17.0602
            8   C1x C    22.6493  -16.3784
            9   C1y C    22.6493  -15.0148
            10  C1z C    21.4684  -14.3329
            11  C1y C    23.8304  -14.3329
            12  C1z C    23.8304  -12.9693
            13  C1x C    22.6493  -12.2874
            14  C1y C    21.4684  -12.9693
            15  C1x C    26.1923  -14.3329
            16  C1y C    26.1923  -12.9693
            17  C1z C    25.0113  -12.2874
            18  C1a C    20.2875  -13.6511
            19  C1a C    23.8304  -11.6056
            20  C5a C    25.0113  -10.5829
            21  O5x O    16.7446  -17.0602
            22  O1a O    20.2894  -12.2886
            23  C1b C    26.1963   -9.8988
            24  O5a O    23.8343   -9.9033
            25  X   F    21.4684  -15.6966
            26  O1a O    26.1923  -11.6056
            27  O7a O    27.3627  -10.5723
            28  C7a C    28.5182   -9.9052
            29  C1a C    29.6791  -10.5756
            30  O7a O    28.5184   -8.5375
            31  X   F    20.4785  -18.0501
            32  X   F    22.4584  -18.0501
            33  C1a C    27.5923  -12.9693
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    5  18 1 #Up
            22   12  19 1 #Up
            23   17  20 1 #Up
            24    2  21 2
            25   14  22 1 #Up
            26   20  23 1
            27   20  24 2
            28   10  25 1 #Down
            29   17  26 1 #Down
            30   23  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 2
            34    7  31 1
            35    7  32 1
            36   16  33 1 #Down


entry: D03592
name: --- - Corticorelin ovine triflutate (USAN) - Acthrel (TN)
formula: C205H339N59O63S. (C2HF3O2)x
remark: Therapeutic category: 7223
activity:
Diagnostic aid [adrenocortical insufficiency]; Diagnostic aid [Cushing's syndrome]; Hormone [corticotropin-releasing]


entry: D03594
name: --- - Cortivazol (USAN)
formula: C32H38N2O5
activity: Glucocorticoid
remark: Therapeutic category: 2452
kcf:
ATOM        39
            1   C8y C    23.9400  -14.8400
            2   C8y C    23.9400  -16.2400
            3   C2x C    25.1300  -16.9400
            4   C2y C    26.3200  -16.2400
            5   C1z C    26.3200  -14.8400
            6   C1x C    25.1300  -14.2100
            7   C2y C    27.5100  -16.9400
            8   C2x C    28.7000  -16.2400
            9   C1y C    28.7000  -14.8400
            10  C1y C    27.5100  -14.2100
            11  C1y C    29.8200  -14.2100
            12  C1z C    29.8200  -12.8100
            13  C1x C    28.7000  -12.1800
            14  C1y C    27.5100  -12.8100
            15  C1x C    32.2000  -14.2100
            16  C1y C    32.2000  -12.8100
            17  C1z C    31.0100  -12.1800
            18  C1a C    26.3200  -13.5100
            19  C1a C    29.8200  -11.4800
            20  C5a C    31.0100  -10.4300
            21  O1a O    26.3200  -12.1800
            22  C1b C    32.2000   -9.7300
            23  O5a O    29.8200   -9.7300
            24  O1a O    32.2000  -11.4800
            25  O7a O    33.3900  -10.4300
            26  C7a C    34.5100   -9.8000
            27  C1a C    35.7000  -10.4300
            28  O7a O    34.5100   -8.4000
            29  C1a C    33.6000  -12.8100
            30  C1a C    27.5100  -18.3400
            31  C8x C    22.7500  -14.1400
            32  N5x N    21.4900  -14.8400
            33  N4y N    21.4900  -16.2400
            34  C8y C    20.5100  -17.2200
            35  C8x C    19.1800  -16.8700
            36  C8x C    18.1300  -17.8500
            37  C8x C    18.5500  -19.2500
            38  C8x C    19.8800  -19.6000
            39  C8x C    20.8600  -18.6200
BOND        44
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    5  18 1 #Up
            22   12  19 1 #Up
            23   17  20 1 #Up
            24   14  21 1 #Up
            25   20  22 1
            26   20  23 2
            27   17  24 1 #Down
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 2
            32   16  29 1 #Down
            33    7  30 1
            34    1  31 1
            35   31  32 2
            36   32  33 1
            37    2  33 1
            38   33  34 1
            39   34  35 2
            40   35  36 1
            41   36  37 2
            42   37  38 1
            43   38  39 2
            44   34  39 1


entry: D03596
name: --- - Cotinine fumarate (USAN)
formula: (C10H12N2O)2. C4H4O4
activity: Antidepressant
kcf:
ATOM        34
            1   C1y C    18.5487  -12.4554
            2   N1y N    19.8683  -12.9060
            3   C5x C    20.7047  -11.7897
            4   C1x C    19.9016  -10.6493
            5   C1x C    18.5688  -11.0608
            6   C8x C    14.8793  -13.1690
            7   C8x C    14.8793  -14.5741
            8   N5x N    16.0961  -15.2767
            9   C8x C    17.3131  -14.5741
            10  C8y C    17.3131  -13.1690
            11  C8x C    16.0961  -12.4664
            12  O5x O    22.1329  -11.7408
            13  C1a C    20.2829  -14.2487
            14  C6a C    26.8352  -12.8515
            15  C2b C    28.0381  -13.5488
            16  O6a O    25.6323  -13.5488
            17  O6a O    26.8352  -11.4627
            18  C2b C    29.2467  -12.8515
            19  C6a C    30.4496  -13.5488
            20  O6a O    31.6524  -12.8515
            21  O6a O    30.4496  -14.9376
            22  C1y C    18.5487  -12.4554
            23  N1y N    19.8683  -12.9060
            24  C5x C    20.7047  -11.7897
            25  C1x C    19.9016  -10.6493
            26  C1x C    18.5688  -11.0608
            27  O5x O    22.1329  -11.7408
            28  C1a C    20.2829  -14.2487
            29  C8y C    17.3131  -13.1690
            30  C8x C    17.3131  -14.5741
            31  N5x N    16.0961  -15.2767
            32  C8x C    14.8793  -14.5741
            33  C8x C    14.8793  -13.1690
            34  C8x C    16.0961  -12.4664
BOND        35
            1    14  15 1
            2    14  16 1
            3    14  17 2
            4    15  18 2
            5    18  19 1
            6    19  20 1
            7    19  21 2
            8     1   2 1
            9     2   3 1
            10    3   4 1
            11    4   5 1
            12    1   5 1
            13    6   7 2
            14    7   8 1
            15    8   9 2
            16    9  10 1
            17   10  11 2
            18    6  11 1
            19    1  10 1 #Down
            20    3  12 2
            21    2  13 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   22  26 1
            27   33  32 2
            28   32  31 1
            29   31  30 2
            30   30  29 1
            31   29  34 2
            32   33  34 1
            33   22  29 1 #Down
            34   24  27 2
            35   23  28 1


entry: D03599
name: --- - Coumermycin sodium (USAN)
formula: C55H59N5O20. Na
activity: Antibacterial
remark: Therapeutic category: 6119
kcf:
ATOM        81
            1   C8y C    31.5387  -17.2855
            2   C8y C    31.5387  -18.6562
            3   C8x C    32.7039  -19.3416
            4   C8x C    33.9376  -18.6562
            5   C8y C    33.9376  -17.2855
            6   C8y C    32.7039  -16.6001
            7   O7x O    30.3736  -16.6001
            8   C8y C    29.1399  -17.2855
            9   C8y C    29.1399  -18.6562
            10  C8y C    30.3736  -19.3416
            11  O1a O    30.3736  -20.7124
            12  O7x O    27.9748  -16.6001
            13  C1a C    32.7039  -15.2293
            14  O2a O    35.1027  -16.6001
            15  N1b N    27.9748  -19.3416
            16  C5a C    26.8096  -18.6562
            17  C8y C    25.6445  -19.3416
            18  O5a O    26.8096  -17.2855
            19  C8y C    24.5478  -18.5192
            20  C8y C    23.3826  -19.3416
            21  C8x C    23.7938  -20.6438
            22  N4x N    25.1647  -20.6438
            23  C1a C    24.5478  -17.1484
            24  C5a C    22.2175  -18.6562
            25  N1b N    21.0523  -19.3416
            26  C8y C    19.8186  -18.6562
            27  C8y C    18.6535  -19.3416
            28  O5a O    22.2175  -17.2855
            29  C8y C    19.8186  -17.2855
            30  O7x O    18.6535  -16.6001
            31  C8y C    17.4883  -17.2855
            32  C8y C    17.4883  -18.6562
            33  O7x O    20.9838  -16.6001
            34  O1a O    18.6535  -20.7124
            35  C8y C    16.2547  -16.6001
            36  C8y C    15.0895  -17.2855
            37  C8x C    15.0895  -18.6562
            38  C8x C    16.2547  -19.3416
            39  C1a C    16.2547  -15.2293
            40  O2a O    13.9244  -16.6001
            41  C1y C    13.9244  -14.2698
            42  C1y C    15.1114  -13.5844
            43  C1y C    15.1114  -12.2137
            44  C1y C    13.9244  -11.5283
            45  C1z C    12.7373  -12.2137
            46  O2x O    12.7373  -13.5844
            47  O2a O    13.9244  -10.1575
            48  C1a C    11.5668  -11.5377
            49  C1a C    11.5501  -12.8990
            50  C1a C    12.7373   -9.4722
            51  C1y C    35.1027  -14.2013
            52  O2x O    36.2898  -13.5844
            53  C1z C    36.2898  -12.2137
            54  C1y C    35.1027  -11.5283
            55  C1y C    33.9156  -12.2137
            56  C1y C    33.9156  -13.5844
            57  C1a C    37.4603  -11.5377
            58  C1a C    37.4604  -12.8896
            59  O2a O    35.1027  -10.1575
            60  C1a C    36.2898   -9.4722
            61  O1a O    16.2986  -14.2698
            62  O7a O    17.8969  -13.5844
            63  C7a C    17.8969  -12.2137
            64  O7a O    16.5042  -11.5283
            65  O7a O    32.5229  -11.5283
            66  C7a C    31.1301  -12.2137
            67  O7a O    31.1301  -13.5844
            68  O1a O    32.7285  -14.2698
            69  C8y C    19.0861  -11.5271
            70  C8y C    29.9410  -11.5271
            71  C8x C    19.0861  -10.1564
            72  C8x C    29.9410  -10.1564
            73  N4x N    20.3898  -11.9508
            74  C8y C    21.1955  -10.8417
            75  C8x C    20.3898   -9.7328
            76  C8x C    28.6374   -9.7328
            77  C8y C    27.8317  -10.8417
            78  N4x N    28.6374  -11.9507
            79  C1a C    22.5602  -10.8417
            80  C1a C    26.4669  -10.8417
            81  Z   Na   36.8900  -18.2000 #+
BOND        88
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12   10  11 1
            13    8  12 2
            14    6  13 1
            15    5  14 1
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   17  22 1
            25   19  23 1
            26   20  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 2
            30   24  28 2
            31   26  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   27  32 1
            36   29  33 2
            37   27  34 1
            38   31  35 2
            39   35  36 1
            40   36  37 2
            41   37  38 1
            42   32  38 2
            43   35  39 1
            44   36  40 1
            45   41  40 1 #Down
            46   41  42 1
            47   42  43 1
            48   43  44 1
            49   44  45 1
            50   45  46 1
            51   41  46 1
            52   44  47 1 #Down
            53   45  48 1
            54   45  49 1
            55   47  50 1
            56   51  14 1 #Down
            57   51  52 1
            58   52  53 1
            59   53  54 1
            60   54  55 1
            61   55  56 1
            62   51  56 1
            63   53  57 1
            64   53  58 1
            65   54  59 1 #Down
            66   59  60 1
            67   42  61 1 #Up
            68   62  63 2
            69   63  64 1
            70   43  64 1 #Up
            71   55  65 1 #Up
            72   65  66 1
            73   66  67 2
            74   56  68 1 #Up
            75   63  69 1
            76   66  70 1
            77   69  71 2
            78   70  72 2
            79   69  73 1
            80   73  74 1
            81   74  75 2
            82   71  75 1
            83   72  76 1
            84   76  77 2
            85   77  78 1
            86   70  78 1
            87   74  79 1
            88   77  80 1


entry: D03600
name: --- - Creatinine (NF)
formula: C4H7N3O
activity: Bulking agent for freeze drying
remark: Same as: C00791 Therapeutic category: 7990
kcf:
ATOM        8
            1   C5x C    21.9772  -20.3664
            2   N1x N    23.3768  -20.3664
            3   C2y C    23.8093  -19.0352
            4   N1y N    22.6770  -18.2126
            5   C1x C    21.5447  -19.0352
            6   O5x O    21.1545  -21.4987
            7   N2a N    25.1286  -18.6066
            8   C1a C    22.6770  -16.7974
BOND        8
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 2
            7     3   7 2
            8     4   8 1


entry: D03601
name: --- - Crilvastatin (USAN)
formula: C14H23NO3
activity: Antihyperlipidemic
remark: Therapeutic category: 2189
kcf:
ATOM        18
            1   C1y C    26.4322  -14.1081
            2   N1x N    27.7323  -14.5837
            3   C5x C    28.5852  -13.4914
            4   C1x C    27.8100  -12.3427
            5   C1x C    26.4780  -12.7251
            6   C1y C    20.3533  -14.8103
            7   C1x C    20.3533  -16.2185
            8   C1z C    21.5728  -16.9226
            9   C1x C    22.7924  -16.2185
            10  C1y C    22.7924  -14.8103
            11  C1x C    21.5728  -14.1062
            12  O7a O    24.0307  -14.0951
            13  C7a C    25.2430  -14.7949
            14  O7a O    25.2434  -16.2181
            15  C1a C    19.1338  -14.1062
            16  O5x O    29.9554  -13.5383
            17  C1a C    20.5828  -17.9125
            18  C1a C    22.5627  -17.9125
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12   12  13 1
            13   13  14 2
            14   10  12 1 #Up
            15    6  15 1 #Up
            16    1  13 1 #Down
            17    3  16 2
            18    8  17 1
            19    8  18 1


entry: D03602
name: --- - Crisnatol mesylate (USAN)
formula: C23H23NO2. CH4SO3
activity: Antineoplastic
kcf:
ATOM        31
            1   C8x C     3.1500   -6.5100
            2   C8x C     3.1500   -7.9100
            3   C8x C     4.3624   -8.6100
            4   C8y C     5.5749   -7.9100
            5   C8y C     5.5749   -6.5100
            6   C8x C     4.3624   -5.8100
            7   C8y C     6.7873   -8.6100
            8   C8x C     7.9997   -7.9100
            9   C8y C     7.9997   -6.5100
            10  C8y C     6.7873   -5.8100
            11  C8y C     9.2122   -5.8100
            12  C8y C     9.2122   -4.4100
            13  C8x C     7.9997   -3.7100
            14  C8x C     6.7873   -4.4100
            15  C8x C    10.4246   -6.5100
            16  C8x C    11.6370   -5.8100
            17  C8x C    11.6370   -4.4100
            18  C8x C    10.4246   -3.7100
            19  C1b C     6.7873  -10.0100
            20  N1b N     8.0018  -10.7112
            21  C1d C     9.1983  -10.0202
            22  C1b C    10.3936   -9.3297
            23  C1b C     9.8866  -11.2127
            24  C1a C     8.4869   -8.7879
            25  O1a O    11.5724  -10.0100
            26  O1a O    11.2699  -11.2126
            27  O3c O    17.7191   -6.7563
            28  S4a S    17.7191   -8.1533
            29  C1a C    16.3222   -8.1533
            30  O1d O    19.1161   -8.1533
            31  O3c O    17.7191   -9.5502
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   11  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   12  18 1
            22    7  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   21  23 1
            27   21  24 1
            28   22  25 1
            29   23  26 1
            30   27  28 2
            31   28  29 1
            32   28  30 1
            33   28  31 2


entry: D03603
formula: C11H8I3N2O4. Na
activity: Diagnostic aid [radiopaque medium]
remark: Therapeutic category: 7211
name:
--- 
- Sodium iotalamate (JP15)
- Sodium iotalamate injection (JP15)
- Iothalamate sodium (USP)
- Conray 325 (TN)

kcf:
ATOM        21
            1   C8y C    23.2637  -16.5762
            2   C8y C    23.2709  -17.9762
            3   C8y C    22.0620  -18.6823
            4   C8y C    20.8459  -17.9884
            5   C8y C    20.8390  -16.5884
            6   C8y C    22.0477  -15.8823
            7   X   I    19.6229  -15.8945
            8   X   I    22.0689  -20.0823
            9   X   I    24.4727  -15.8701
            10  C6a C    22.0408  -14.4823
            11  O6a O    20.8247  -13.7885
            12  O0  O    23.2497  -13.7762 #-
            13  C5a C    19.6370  -18.6945
            14  O5a O    19.6441  -20.0945
            15  N1b N    18.4213  -18.0006
            16  C1a C    17.2123  -18.7067
            17  N1b N    24.4867  -18.6701
            18  C5a C    25.6956  -17.9638
            19  C1a C    26.9115  -18.6577
            20  O5a O    25.6885  -16.5640
            21  Z   Na   25.4798  -13.7899 #+
BOND        20
            1     6  10 1
            2     4   5 1
            3    10  11 2
            4     5   6 2
            5    10  12 1
            6     6   1 1
            7     4  13 1
            8    13  14 2
            9     5   7 1
            10   13  15 1
            11    1   2 2
            12   15  16 1
            13    3   8 1
            14    2  17 1
            15    2   3 1
            16   17  18 1
            17    1   9 1
            18   18  19 1
            19    3   4 2
            20   18  20 2


entry: D03607
name: --- - Cromitrile sodium (USAN)
formula: C20H14N5O5. Na
activity: Anti-asthmatic
kcf:
ATOM        31
            1   C8x C    25.2100  -15.9766
            2   C8x C    25.2100  -17.3779
            3   C8x C    26.4235  -18.0785
            4   C8y C    27.6371  -17.3779
            5   C8y C    27.6371  -15.9766
            6   C8y C    26.4235  -15.2760
            7   O2x O    28.8505  -18.0785
            8   C8y C    30.0640  -17.3779
            9   C8x C    30.0640  -15.9766
            10  C8y C    28.8505  -15.2760
            11  O5x O    28.8505  -13.8748
            12  C8y C    31.2627  -18.0700
            13  N5x N    31.2687  -19.4737
            14  N5x N    32.6084  -19.9018
            15  N5x N    33.4296  -18.7599
            16  N5x N    32.5973  -17.6261 #-
            17  O2a O    26.4235  -13.8750
            18  C1b C    25.1932  -13.1645
            19  C1c C    23.9882  -13.8602
            20  C1b C    22.8042  -13.1764
            21  O1a O    23.9878  -15.2757
            22  O2a O    21.6095  -13.8662
            23  C8y C    20.4203  -13.1795
            24  C8x C    20.4203  -11.7731
            25  C8x C    19.2069  -11.0725
            26  C8y C    17.9933  -11.7731
            27  C8x C    17.9933  -13.1795
            28  C8x C    19.2069  -13.8801
            29  C3b C    16.7800  -11.0726
            30  N3a N    15.5665  -10.3720
            31  Z   Na   32.3564  -15.9758 #+
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12   10  11 2
            13    8  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   12  16 1
            19    6  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1
            24   20  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 3


entry: D03609
name: --- - Crospovidone (NF) - Kollidon (TN)
formula: (C6H9NO)n
activity: Pharmaceutic aid [tablet excipient]
remark: Therapeutic category: 7119
kcf:
ATOM        10
            1   C1x C    23.8700  -20.1600
            2   C1x C    25.2700  -20.1600
            3   C5x C    25.7026  -18.8285
            4   N1y N    24.5700  -18.0056
            5   C1x C    23.4374  -18.8285
            6   O5x O    27.0222  -18.3997
            7   C1b C    24.5700  -16.5900
            8   Z   *    20.8376  -15.8900
            9   C1a C    25.7824  -15.8900
            10  Z   *    29.0779  -16.5804
BOND        10
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 2
            7     4   7 1
            8     7   8 1
            9     7   9 1
            10    9  10 1


entry: D03610
name: --- - Crufomate (USAN)
formula: C12H19ClNO3P
activity: Anthelmintic [veterinary]
kcf:
ATOM        18
            1   C8x C    23.6101  -16.1984
            2   C8y C    23.6101  -14.7972
            3   C8x C    22.3938  -14.0967
            4   C8x C    21.1846  -14.7972
            5   C8y C    21.1846  -16.1984
            6   C8y C    22.3938  -16.8989
            7   C1d C    24.8231  -14.0962
            8   O2b O    19.9706  -16.8981
            9   P1b P    18.7628  -16.1984
            10  O2b O    17.5527  -16.8920
            11  O3b O    19.9799  -15.5049
            12  N1b N    17.5527  -15.4978
            13  C1a C    17.5544  -14.0967
            14  C1a C    17.5534  -18.2699
            15  X   Cl   22.3922  -18.2700
            16  C1a C    26.0441  -14.8008
            17  C1a C    24.8221  -12.6703
            18  C1a C    26.0668  -13.3777
BOND        18
            1     2   3 1
            2     3   4 2
            3     5   8 1
            4     4   5 1
            5     8   9 1
            6     5   6 2
            7     9  10 1
            8     6   1 1
            9     9  11 2
            10    9  12 1
            11    2   7 1
            12    1   2 2
            13   12  13 1
            14   10  14 1
            15    6  15 1
            16    7  16 1
            17    7  17 1
            18    7  18 1


entry: D03611
name: --- - Cupric acetate Cu 64 (USAN)
formula: (C2H3O2)2. Cu
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        9
            1   C1a C    13.2300  -14.7000
            2   C6a C    14.4424  -14.0000
            3   O0  O    15.6549  -14.7000 #-
            4   O6a O    14.4424  -12.6002
            5   Z   Cu   20.8600  -13.8600 #2+
            6   C1a C    13.2300  -14.7000
            7   C6a C    14.4424  -14.0000
            8   O0  O    15.6549  -14.7000 #-
            9   O6a O    14.4424  -12.6002
BOND        6
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     6   7 1
            5     7   8 1
            6     7   9 2


entry: D03613
name: --- - Cupric sulfate (USP) - Cupric sulfate pentahydrate - Cupric sulfate (TN)
formula: SO4. 5H2O. Cu
activity: Antidote [to phosphorus]
remark: Same as: C12279
comment: Component of Elemenmic (TN)
kcf:
ATOM        11
            1   O0  O     7.6369   -7.5823 #-
            2   S4a S     9.0318   -7.5823
            3   O3c O     9.0248   -8.9772
            4   O0  O    10.4266   -7.5823 #-
            5   O3c O     9.0248   -6.1875
            6   O0  O    14.7590   -7.3007
            7   Z   Cu    3.7100   -7.6300 #2+
            8   O0  O    14.7590   -7.3007
            9   O0  O    14.7590   -7.3007
            10  O0  O    14.7590   -7.3007
            11  O0  O    14.7590   -7.3007
BOND        4
            1     1   2 1
            2     2   3 2
            3     2   4 1
            4     2   5 2


entry: D03618
name: --- - Cyclazocine (USAN)
formula: C18H25NO
activity: Analgesic
remark: Therapeutic category: 1149
kcf:
ATOM        20
            1   C8y C     5.2828   -4.7282
            2   C8y C     6.0733   -6.1773
            3   C1x C     6.2709   -5.2551
            4   C1z C     7.1930   -5.7821
            5   C1y C     7.5224   -4.9917
            6   C1y C     6.8430   -3.6084
            7   C1x C     8.2469   -6.2431
            8   N1y N     8.5762   -5.4527
            9   C1x C     8.9715   -7.3629
            10  C1a C     6.7071   -7.3629
            11  C1b C     9.6301   -4.6623
            12  C1y C    10.8816   -5.1893
            13  C1x C    12.1990   -5.1893
            14  C1x C    11.5403   -6.3090
            15  C1a C     8.1452   -3.0848
            16  C8x C     3.8828   -4.7282
            17  C8x C     3.1614   -5.9789
            18  C8y C     3.8467   -7.1643
            19  C8x C     5.2467   -7.1643
            20  O1a O     3.1583   -8.3572
BOND        23
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     5   6 1
            10    8   9 1
            11    4  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  12 1
            17    6  15 1
            18    1  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19   2 2
            23   18  20 1


entry: D03619
name: --- - Cyclindole (USAN)
formula: C14H18N2
activity: Antidepressant
kcf:
ATOM        16
            1   C1x C    12.5846  -14.7516
            2   C1y C    12.5846  -16.1504
            3   C1x C    13.7736  -16.8498
            4   C8y C    15.0325  -16.1504
            5   C8y C    15.0325  -14.7516
            6   C1x C    13.7736  -14.0522
            7   C8y C    16.3614  -16.5700
            8   C8y C    17.1307  -15.4510
            9   N4x N    16.3614  -14.3319
            10  C8x C    18.5296  -15.4510
            11  C8x C    19.2290  -16.6400
            12  C8x C    18.5296  -17.8290
            13  C8x C    17.1307  -17.8290
            14  N1c N    11.3727  -16.8436
            15  C1a C    10.1509  -16.1311
            16  C1a C    11.3674  -18.2697
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13   7 2
            16    2  14 1
            17   14  15 1
            18   14  16 1


entry: D03621
name: --- - Cyclizine
formula: C18H22N2
activity: Antihistaminic
remark: Same as: C06930 Therapeutic category: 2399
kcf:
ATOM        20
            1   C8x C     3.0800  -20.4400
            2   C8x C     3.0800  -21.8400
            3   C8x C     4.2924  -22.5400
            4   C8x C     5.5049  -21.8400
            5   C8y C     5.5049  -20.4400
            6   C8x C     4.2924  -19.7400
            7   C8x C     7.9297  -21.8400
            8   C8y C     7.9297  -20.4400
            9   C1c C     6.7173  -19.7400
            10  C8x C     9.1422  -22.5400
            11  C8x C    10.3546  -21.8400
            12  C8x C    10.3546  -20.4400
            13  C8x C     9.1422  -19.7400
            14  N1y N     6.7173  -18.3400
            15  C1x C     7.9318  -17.6388
            16  C1x C     7.9318  -16.2388
            17  N1y N     6.7193  -15.5388
            18  C1x C     5.5049  -16.2400
            19  C1x C     5.5049  -17.6400
            20  C1a C     6.7193  -14.1400
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     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   17  18 1
            20   18  19 1
            21   14  19 1
            22   17  20 1


entry: D03622
name: --- - Cyclizine hydrochloride (USP)
formula: C18H22N2. HCl
activity: Anti-emetic
remark: Therapeutic category: 2399
kcf:
ATOM        21
            1   X   Cl   29.2600  -15.7500
            2   C8x C    20.3696  -17.3576
            3   C8x C    20.3696  -18.7575
            4   C8x C    21.5819  -19.4574
            5   C8x C    22.7943  -18.7575
            6   C8y C    22.7943  -17.3576
            7   C8x C    21.5819  -16.6577
            8   C8x C    25.2188  -18.7575
            9   C8y C    25.2188  -17.3576
            10  C1c C    24.0065  -16.6577
            11  C8x C    26.4311  -19.4574
            12  C8x C    27.6434  -18.7575
            13  C8x C    27.6434  -17.3576
            14  C8x C    26.4311  -16.6577
            15  N1y N    24.0065  -15.2579
            16  C1x C    25.2209  -14.5568
            17  C1x C    25.2209  -13.1569
            18  N1y N    24.0085  -12.4570
            19  C1x C    22.7943  -13.1581
            20  C1x C    22.7943  -14.5580
            21  C1a C    24.0085  -11.0584
BOND        22
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     8   9 1
            8     9  10 1
            9     6  10 1
            10    8  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14    9  14 2
            15   10  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   15  20 1
            22   18  21 1


entry: D03623
name: --- - Cyclobendazole (USAN)
formula: C13H13N3O3
activity: Anthelmintic
remark: Therapeutic category: 6429
comment: microtubule synthesis inhibitor
kcf:
ATOM        19
            1   C8x C    11.0600  -11.4800
            2   C8y C    11.0600  -12.8800
            3   C8x C    12.2500  -13.5800
            4   C8y C    13.5100  -12.8800
            5   C8y C    13.5100  -11.4800
            6   C8x C    12.2500  -10.7800
            7   N5x N    14.8400  -13.3000
            8   C8y C    15.6100  -12.1800
            9   N4x N    14.8400  -11.0600
            10  N1b N    17.0100  -12.1800
            11  C5a C     9.8700  -13.5800
            12  C1y C     8.6800  -12.8800
            13  O5a O     9.8700  -14.9800
            14  C7a C    17.7100  -10.9900
            15  O7a O    19.1100  -10.9900
            16  C1a C    19.8100   -9.8000
            17  O7a O    17.0100   -9.8000
            18  C1x C     7.2800  -12.8800
            19  C1x C     7.9800  -11.6900
BOND        21
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12    2  11 1
            13   11  12 1
            14   11  13 2
            15   10  14 1
            16   14  15 1
            17   15  16 1
            18   14  17 2
            19   18  12 1
            20   12  19 1
            21   19  18 1


entry: D03625
name: --- - Cycloheximide (USAN)
formula: C15H23NO4
activity: Antipsoriatic
remark: Same as: C06685
kcf:
ATOM        20
            1   C1y C    22.4514  -14.7699
            2   C1c C    22.4573  -16.1746
            3   C5x C    23.6637  -14.0588
            4   C1x C    21.2333  -14.0705
            5   C1b C    21.2509  -16.8739
            6   O1a O    23.6695  -16.8680
            7   C1y C    23.6578  -12.6602
            8   O5x O    24.8702  -14.7641
            9   C1y C    21.2275  -12.6718
            10  C1y C    20.0444  -16.1803
            11  C1x C    22.4397  -11.9665
            12  C1a C    24.8585  -11.9549
            13  C1a C    20.0094  -11.9665
            14  C1x C    18.8319  -16.8739
            15  C1x C    20.0444  -14.7758
            16  C5x C    17.6198  -16.1803
            17  C5x C    18.8319  -14.0705
            18  N1x N    17.6198  -14.7758
            19  O5x O    16.4016  -16.8680
            20  O5x O    18.8203  -12.6718
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    7  11 1
            11    7  12 1 #Down
            12    9  13 1 #Up
            13   10  14 1
            14   10  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   16  19 2
            19   17  20 2
            20    9  11 1
            21   17  18 1


entry: D03626
name: --- - Cyclomethicone (NF) - VS-7158 (TN)
formula: (C2H6OSi)n
activity: Pharmaceutic aid [wetting agent]
kcf:
ATOM        6
            1   Z   *    10.3600  -13.5800
            2   Z   Si   14.1624  -13.5800
            3   O1a O    15.5849  -14.2800
            4   Z   *    18.1273  -14.2800
            5   C1a C    14.1624  -12.1802
            6   C1a C    14.1624  -14.9798
BOND        5
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 1
            5     2   6 1


entry: D03627
name: --- - Cyclopropane (USP)
formula: C3H6
activity: Anesthetic [inhalation]
remark: Therapeutic category: 1119
kcf:
ATOM        3
            1   C1x C    19.8971  -15.4089
            2   C1x C    21.3021  -15.4089
            3   C1x C    20.5960  -14.2008
BOND        3
            1     1   2 1
            2     2   3 1
            3     3   1 1


entry: D03628
name: --- - Cyheptamide (USAN)
formula: C16H15NO
activity: Anticonvulsant
remark: Therapeutic category: 1139
kcf:
ATOM        18
            1   C1x C    16.2152  -18.3173
            2   C8y C    15.3708  -17.2047
            3   C8y C    15.7069  -15.8442
            4   C1y C    16.9714  -15.2645
            5   C1x C    17.6248  -18.3426
            6   C8y C    18.2283  -15.8885
            7   C8y C    18.5156  -17.2610
            8   C8x C    14.6970  -14.8731
            9   C8x C    13.3514  -15.2623
            10  C8x C    13.0153  -16.6228
            11  C8x C    14.0251  -17.5936
            12  C8x C    19.8504  -17.6993
            13  C8x C    20.8975  -16.7623
            14  C8x C    20.6104  -15.3898
            15  C8x C    19.2753  -14.9515
            16  C5a C    16.9231  -13.8858
            17  N1a N    18.1504  -13.2028
            18  O5a O    15.7061  -13.1986
BOND        20
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 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 1
            19   16  17 1
            20   16  18 2


entry: D03629
name: --- - Cypenamine hydrochloride (USAN)
formula: C11H15N. HCl
activity: Antidepressant
kcf:
ATOM        13
            1   C8x C    19.7016  -15.2230
            2   C8x C    19.7016  -16.6253
            3   C8x C    20.9160  -17.3264
            4   C8x C    22.1304  -16.6253
            5   C8y C    22.1304  -15.2230
            6   C8x C    20.9160  -14.5219
            7   C1y C    23.3634  -14.5109
            8   C1x C    23.3634  -13.1109
            9   C1y C    24.6949  -14.9435
            10  C1x C    25.5178  -13.8109
            11  C1x C    24.6949  -12.6783
            12  N1a N    25.1195  -16.2488
            13  X   Cl   29.3070  -15.4333
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     7   9 1
            10    9  10 1
            11   10  11 1
            12    8  11 1
            13    9  12 1


entry: D03630
name: --- - Cypothrin (USAN)
formula: C28H23NO3
activity: Insecticide [veterinary]
kcf:
ATOM        32
            1   C8y C    26.1100  -15.6100
            2   C8x C    26.1100  -17.0100
            3   C8x C    27.3000  -17.7100
            4   C8x C    28.4900  -17.0100
            5   C8y C    28.4900  -15.6100
            6   C8x C    27.3000  -14.9100
            7   O2a O    29.7500  -14.9100
            8   C8y C    30.9400  -15.6100
            9   C8x C    30.9400  -17.0100
            10  C8x C    32.1300  -17.7100
            11  C8x C    33.3200  -17.0100
            12  C8x C    33.3200  -15.6100
            13  C8x C    32.1300  -14.9100
            14  C1c C    24.8500  -14.9100
            15  O7a O    23.6600  -15.6100
            16  C7a C    22.4700  -14.9100
            17  O7a O    22.4700  -13.5100
            18  C3b C    24.8500  -13.5100
            19  N3a N    24.8500  -12.1100
            20  C1z C    19.9100  -15.6412
            21  C1y C    21.2858  -15.6001
            22  C2x C    19.4564  -14.3168
            23  C2x C    18.0565  -14.3390
            24  C8y C    17.6451  -15.6771
            25  C8y C    18.7906  -16.4820
            26  C8x C    18.7906  -17.8820
            27  C8x C    17.5698  -18.5872
            28  C8x C    16.3717  -17.8961
            29  C8x C    16.3712  -16.5200
            30  C1z C    20.5858  -16.8126
            31  C1a C    19.5958  -17.8025
            32  C1a C    21.5757  -17.8025
BOND        36
            1     9  10 1
            2    10  11 2
            3    11  12 1
            4    12  13 2
            5    13   8 1
            6     5   6 2
            7     1  14 1
            8     6   1 1
            9    14  15 1
            10   15  16 1
            11    5   7 1
            12   16  17 2
            13    7   8 1
            14    1   2 2
            15    2   3 1
            16    3   4 2
            17    4   5 1
            18   14  18 1
            19    8   9 2
            20   18  19 3
            21   21  20 1
            22   16  21 1
            23   20  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 1
            27   20  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  24 2
            33   21  30 1
            34   20  30 1
            35   30  31 1
            36   30  32 1


entry: D03631
name: --- - Cyprazepam (USAN)
formula: C19H18ClN3O
activity: Sedative-hypnotic
remark: Therapeutic category: 1124
kcf:
ATOM        24
            1   C2y C    18.4100  -14.9100
            2   C8y C    17.5700  -13.7900
            3   C8y C    17.9200  -12.4600
            4   N2x N    19.1800  -11.9000
            5   N2y N    19.8100  -14.9100 #+
            6   C2y C    20.4400  -12.5300
            7   C1x C    20.7200  -13.8600
            8   C8x C    16.8700  -11.4800
            9   C8x C    15.5400  -11.9000
            10  C8y C    15.1900  -13.2300
            11  C8x C    16.2400  -14.2100
            12  X   Cl   13.8600  -13.6500
            13  C8y C    17.7800  -16.1700
            14  C8x C    16.3800  -16.1700
            15  C8x C    15.6800  -17.3600
            16  C8x C    16.3800  -18.6200
            17  C8x C    17.7800  -18.6200
            18  C8x C    18.4800  -17.3600
            19  C1b C    23.1000  -12.4600
            20  N1b N    21.9100  -11.7600
            21  C1y C    24.2900  -11.7600
            22  O0  O    20.3700  -16.1700 #-
            23  C1x C    25.6900  -11.7600
            24  C1x C    24.9900  -10.5700
BOND        27
            1     3   4 1
            2     1   5 2
            3     4   6 2
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13   10  12 1
            14    1  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   13  18 2
            21   19  20 1
            22   20   6 1
            23   19  21 1
            24    5  22 1
            25   21  23 1
            26   23  24 1
            27   24  21 1


entry: D03632
name: --- - Cyprolidol hydrochloride (USAN)
formula: C21H19NO. HCl
activity: Antidepressant
kcf:
ATOM        24
            1   C8x C    19.6129  -17.1014
            2   C8x C    19.6129  -18.5029
            3   C8x C    20.8041  -19.2036
            4   C8x C    22.0654  -18.5029
            5   C8y C    22.0654  -17.1014
            6   C8x C    20.8041  -16.4007
            7   C1d C    23.2567  -16.4007
            8   C8y C    24.4479  -17.1014
            9   C8x C    24.4479  -18.5029
            10  C8x C    25.7093  -19.2036
            11  C8x C    26.9005  -18.5029
            12  C8x C    26.9005  -17.1014
            13  C8x C    25.7093  -16.4007
            14  C1y C    23.2567  -14.9992
            15  C1x C    22.5560  -13.8079
            16  C1y C    23.9574  -13.8079
            17  C8y C    25.1740  -13.1121
            18  C8x C    26.3637  -13.8056
            19  C8x C    27.5803  -13.1100
            20  N5x N    27.5861  -11.7085
            21  C8x C    26.3964  -11.0150
            22  C8x C    25.1798  -11.7106
            23  O1a O    22.0443  -15.7007
            24  X   Cl   29.4232  -15.5598
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    7  14 1
            16   15  16 1
            17   16  14 1
            18   14  15 1
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   17  22 1
            26    7  23 1


entry: D03633
name: --- - Cyproquinate (USAN)
formula: C20H23NO5
activity: Coccidiostat [for poultry]
kcf:
ATOM        26
            1   C8y C    21.2800  -14.8400
            2   C8y C    21.2800  -16.2400
            3   C8y C    22.4700  -14.1400
            4   C8x C    20.0900  -14.2100
            5   C8x C    20.0900  -16.9400
            6   N5x N    22.4700  -16.9400
            7   C8y C    23.6600  -14.8400
            8   C8y C    18.9000  -14.8400
            9   C8y C    18.9000  -16.2400
            10  C8x C    23.6600  -16.1700
            11  C7a C    24.8500  -14.2100
            12  O2a O    17.7100  -16.9400
            13  O7a O    26.0400  -14.8400
            14  O7a O    24.8500  -12.8100
            15  C1b C    27.4400  -13.9300
            16  C1a C    28.7000  -14.5600
            17  O1a O    22.4700  -12.7400
            18  C1b C    17.7100  -18.3400
            19  C1y C    16.4500  -19.1100
            20  O2a O    17.7100  -14.1400
            21  C1b C    17.7100  -12.7400
            22  C1y C    16.4500  -12.0400
            23  C1x C    15.0500  -12.0400
            24  C1x C    15.7500  -10.8500
            25  C1x C    15.0500  -19.1100
            26  C1x C    15.7500  -20.3000
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     6  10 2
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   11  14 2
            14   13  15 1
            15    7  10 1
            16    8   9 1
            17   15  16 1
            18    3  17 1
            19   12  18 1
            20   18  19 1
            21    8  20 1
            22   20  21 1
            23   21  22 1
            24   23  22 1
            25   22  24 1
            26   24  23 1
            27   25  19 1
            28   19  26 1
            29   26  25 1


entry: D03635
name: --- - Cysteamine hydrochloride (USAN)
formula: C2H7NS. HCl
activity: Anti-urolithic [cysteine calculi]
kcf:
ATOM        5
            1   C1b C    22.5846  -15.8889
            2   C1b C    21.3750  -15.1909
            3   N1a N    23.8002  -15.1909
            4   S1a S    20.1594  -15.8889
            5   X   Cl   27.5800  -15.7500
BOND        3
            1     1   2 1
            2     1   3 1
            3     2   4 1


entry: D03636
name: --- - Cystine (USAN)
formula: C6H12N2O4S2
activity: Amino acid
remark: Same as: C00491 Therapeutic category: 3259
kcf:
ATOM        14
            1   C1c C    28.3709  -17.9899
            2   C1b C    27.1584  -18.6895
            3   C6a C    29.5834  -18.6895
            4   N1a N    28.3709  -16.5909
            5   S3a S    25.9458  -17.9899
            6   O6a O    30.7959  -17.9899
            7   O6a O    29.5834  -20.0886
            8   S3a S    24.7391  -18.6895
            9   C1b C    23.5209  -17.9899
            10  C1c C    22.3084  -18.6895
            11  C6a C    21.0959  -17.9899
            12  N1a N    22.3084  -20.0886
            13  O6a O    19.8776  -18.6895
            14  O6a O    21.0959  -16.5909
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 1 #Down
            12   11  13 1
            13   11  14 2


entry: D03637
name: --- - Cytarabine hydrochloride (USAN)
formula: C9H13N3O5. HCl
activity: Antiviral
remark: Therapeutic category: 4224
kcf:
ATOM        18
            1   X   Cl   30.5899  -15.3999
            2   C1y C    23.8524  -14.9345
            3   N4y N    25.1854  -14.5020
            4   O2x O    22.7183  -14.1101
            5   C1y C    23.4199  -16.2618
            6   C1y C    21.5839  -14.9345
            7   C1y C    22.0166  -16.2618
            8   O1a O    24.2383  -17.3961
            9   C1b C    20.2509  -14.5020
            10  O1a O    21.1981  -17.3961
            11  O1a O    19.2160  -15.4431
            12  C8x C    25.1854  -13.1029
            13  C8y C    26.3970  -15.2015
            14  N5x N    27.6087  -14.5020
            15  C8y C    27.6087  -13.1029
            16  C8x C    26.3970  -12.4034
            17  O5x O    26.3967  -16.5787
            18  N1a N    28.8467  -12.3884
BOND        18
            1     2   3 1 #Up
            2     2   4 1
            3     2   5 1
            4     4   6 1
            5     5   7 1
            6     5   8 1 #Up
            7     6   9 1 #Up
            8     7  10 1 #Down
            9     9  11 1
            10    6   7 1
            11    3  12 1
            12    3  13 1
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   12  16 2
            17   13  17 2
            18   15  18 1


entry: D03638
activity: Deodorant
comment: Usually sodium but sometimes sodium and potassium Component of Methaphyllin (TN)
name:
--- 
- Sodium copper chlorophyllin (JAN)
- Chlorophyllin copper complex (USAN)
- Chlorophyllin copper complex sodium (USP)


entry: D03640
name: --- - Dalbavancin (USAN) - Zeven (TN)
formula: C88H100Cl2N10O28
activity: Anti-biotic
remark: Therapeutic category: 6119
kcf:
ATOM        128
            1   C1y C    24.2985   -7.6737
            2   O2x O    25.5017   -8.3065
            3   C1y C    26.6587   -7.6418
            4   C1y C    26.7046   -6.2808
            5   C1y C    25.4313   -5.6480
            6   C1y C    24.2743   -6.3128
            7   C6a C    29.0520   -8.2745
            8   O1a O    25.4071   -4.2871
            9   C1y C    26.1972  -24.1061
            10  C1y C    26.1972  -22.7616
            11  O2x O    25.0544  -22.0894
            12  C1y C    23.8444  -22.7616
            13  C1y C    23.8444  -24.1061
            14  C1y C    25.0544  -24.7783
            15  O1a O    27.3400  -24.7783
            16  O1a O    25.0544  -26.1228
            17  C1b C    22.7016  -22.0894
            18  O1a O    22.7016  -24.7783
            19  O2a O    27.3400  -22.0894
            20  C8y C    28.7400  -21.1649
            21  O1a O    21.5588  -22.7616
            22  C8x C    29.9500  -21.8372
            23  C8y C    31.0928  -21.1649
            24  C8x C    31.0928  -19.8205
            25  C8y C    29.9500  -19.1482
            26  C8y C    28.7400  -19.8205
            27  C8y C    27.5972  -19.1482
            28  C8x C    27.5972  -17.8037
            29  C8y C    26.3872  -17.1315
            30  C8x C    25.2444  -17.8037
            31  C8x C    25.2444  -19.1482
            32  C8y C    26.3872  -19.8205
            33  O1a O    26.3872  -21.1649
            34  O1a O    32.2356  -21.8372
            35  C1y C    29.9500  -17.8037
            36  C1y C    26.3872  -15.7870
            37  C5x C    27.5300  -15.1148
            38  N1x N    28.6728  -15.7870
            39  O5x O    27.5300  -13.7703
            40  N1x N    25.2444  -15.1148
            41  N1x N    31.0928  -17.1315
            42  C5x C    31.0928  -15.7870
            43  C5a C    32.1690  -18.3339
            44  N1b N    33.3092  -17.6474
            45  O5a O    32.1872  -19.6545
            46  C1b C    34.4678  -18.2815
            47  C1b C    35.6080  -17.5951
            48  C1b C    36.7666  -18.2292
            49  N1c N    37.9068  -17.5428
            50  C1a C    39.0654  -18.1769
            51  C1a C    37.9586  -16.2221
            52  C1y C    29.9500  -15.1148
            53  O5x O    32.2356  -15.1148
            54  C1y C    29.9500  -13.1092
            55  O1a O    31.0928  -12.4370
            56  C8y C    28.8072  -12.4370
            57  C8x C    28.8072  -11.0925
            58  C8y C    27.6644  -10.4203
            59  C8y C    26.4544  -11.0925
            60  C8x C    26.4544  -12.3697
            61  C8x C    27.5972  -13.1092
            62  X   Cl   27.6644   -9.0758
            63  O2x O    25.3116  -10.3530
            64  C8y C    24.1688  -11.0253
            65  C8y C    23.0260  -10.3530
            66  C8y C    21.8160  -11.0253
            67  C8x C    21.8160  -12.3697
            68  C8y C    22.9588  -13.0420
            69  C8x C    24.1716  -12.3697
            70  O2a O    23.0260   -9.0086
            71  O2x O    20.6732  -10.3530
            72  C8y C    19.4631  -10.9580
            73  C8x C    18.3203  -10.2858
            74  C8x C    17.1103  -10.9580
            75  C8y C    17.1103  -12.3025
            76  C8x C    18.3203  -12.9747
            77  C8x C    19.4631  -12.3025
            78  C5x C    24.1016  -15.7870
            79  C1y C    22.9588  -15.1148
            80  O5x O    24.1016  -17.1315
            81  N1x N    21.8160  -15.7870
            82  C5x C    20.6732  -15.1148
            83  C1y C    19.5304  -15.7870
            84  O5x O    20.6732  -13.7703
            85  C8y C    19.5331  -17.6215
            86  N1x N    18.3876  -15.1148
            87  C5x C    17.2447  -15.7870
            88  C1y C    16.1019  -15.1148
            89  O5x O    17.2045  -16.9672
            90  C1x C    16.1019  -12.9747
            91  N1x N    14.8919  -15.7870
            92  C5x C    13.7491  -15.0476
            93  C1y C    12.6063  -15.7198
            94  O5x O    13.7491  -13.7031
            95  C8y C    12.6091  -17.5543
            96  N1b N    11.4635  -15.0476
            97  C1a C    10.2535  -15.7198
            98  C8x C    11.4663  -18.2265
            99  C8x C    11.4691  -19.5710
            100 C8y C    12.6791  -20.2432
            101 C8y C    13.8219  -19.5710
            102 C8x C    13.8191  -18.2265
            103 C8x C    18.3903  -18.2937
            104 C8y C    18.3903  -19.6382
            105 C8x C    19.5331  -20.3105
            106 C8y C    20.7432  -19.6382
            107 C8y C    20.7432  -18.2937
            108 X   Cl   21.8860  -17.6215
            109 O1a O    21.8860  -20.3105
            110 O2x O    16.1019  -20.7810
            111 O1a O    12.6819  -21.5877
            112 O1a O    27.8202   -5.5305
            113 N1b N    22.7786   -5.2934
            114 O6a O    30.1677   -7.5242
            115 O6a O    29.0762   -9.6355
            116 C5a C    21.6629   -6.0437
            117 C1b C    20.4596   -5.4110
            118 O5a O    21.6171   -7.4047
            119 C1b C    19.3440   -6.1613
            120 C1b C    18.1407   -5.5285
            121 C1b C    16.9616   -6.2567
            122 C1b C    15.7805   -5.5605
            123 C1b C    14.6648   -6.3108
            124 C1b C    13.4615   -5.6781
            125 C1b C    12.3459   -6.4284
            126 C1c C    11.1426   -5.7957
            127 C1a C     9.9635   -6.5239
            128 C1a C    11.1184   -4.4347
BOND        140
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1 #Up
            8     5   8 1 #Up
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    9  14 1
            15    9  15 1 #Up
            16   14  16 1 #Up
            17   12  17 1 #Up
            18   13  18 1 #Down
            19   10  19 1 #Down
            20   19  20 1
            21   17  21 1
            22   20  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   20  26 1
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   27  32 1
            35   32  33 1
            36   23  34 1
            37   25  35 1
            38   29  36 1
            39   36  37 1
            40   37  38 1
            41   37  39 2
            42   36  40 1 #Up
            43   35  41 1 #Down
            44   41  42 1
            45   35  43 1 #Up
            46   43  44 1
            47   43  45 2
            48   44  46 1
            49   46  47 1
            50   47  48 1
            51   48  49 1
            52   49  50 1
            53   49  51 1
            54   42  52 1
            55   42  53 2
            56   52  38 1 #Up
            57   52  54 1
            58   54  55 1 #Up
            59   54  56 1
            60   56  57 2
            61   57  58 1
            62   58  59 2
            63   59  60 1
            64   60  61 2
            65   56  61 1
            66   58  62 1
            67   59  63 1
            68   63  64 1
            69   64  65 2
            70   65  66 1
            71   66  67 2
            72   67  68 1
            73   68  69 2
            74   64  69 1
            75   65  70 1
            76   66  71 1
            77   71  72 1
            78   72  73 2
            79   73  74 1
            80   74  75 2
            81   75  76 1
            82   76  77 2
            83   72  77 1
            84   40  78 1
            85   78  79 1
            86   78  80 2
            87   79  68 1
            88   79  81 1 #Down
            89   81  82 1
            90   82  83 1
            91   82  84 2
            92   83  85 1
            93   83  86 1 #Down
            94   86  87 1
            95   87  88 1
            96   87  89 2
            97   75  90 1
            98   88  90 1
            99   88  91 1 #Down
            100  91  92 1
            101  92  93 1
            102  92  94 2
            103  93  95 1
            104  96  97 1
            105  93  96 1 #Up
            106  95  98 2
            107  98  99 1
            108  99 100 2
            109 100 101 1
            110 101 102 2
            111  95 102 1
            112  85 103 2
            113 103 104 1
            114 104 105 2
            115 105 106 1
            116 106 107 2
            117  85 107 1
            118 107 108 1
            119 106 109 1
            120 101 110 1
            121 100 111 1
            122 104 110 1
            123   1  70 1 #Up
            124   4 112 1 #Down
            125   6 113 1 #Down
            126   7 114 1
            127   7 115 2
            128 113 116 1
            129 116 117 1
            130 116 118 2
            131 117 119 1
            132 119 120 1
            133 120 121 1
            134 121 122 1
            135 122 123 1
            136 123 124 1
            137 124 125 1
            138 125 126 1
            139 126 127 1
            140 126 128 1


entry: D03641
name: --- - Daledalin tosylate (USAN)
formula: C19H24N2. C7H8O3S
activity: Antidepressant
kcf:
ATOM        32
            1   C8x C    19.5840  -16.1342
            2   C8x C    19.5840  -14.7369
            3   C8x C    20.7718  -14.0382
            4   C8y C    22.0294  -14.7369
            5   C8y C    22.0294  -16.1342
            6   C8x C    20.7718  -16.8329
            7   N1y N    23.3569  -14.3177
            8   C1x C    24.1254  -15.4356
            9   C1z C    23.3569  -16.5534
            10  C8y C    23.3569  -12.9177
            11  C8x C    24.5721  -12.2159
            12  C8x C    24.5720  -10.8159
            13  C8x C    23.3595  -10.1160
            14  C8x C    22.1443  -10.8178
            15  C8x C    22.1444  -12.2178
            16  C1b C    23.3569  -17.9534
            17  C1b C    24.5715  -18.6551
            18  C1b C    25.7678  -17.9652
            19  C1a C    24.7092  -16.9158
            20  N1b N    26.9846  -18.6685
            21  C1a C    28.1621  -17.9894
            22  C8y C    30.9181  -14.0693
            23  C8x C    29.7020  -14.7674
            24  C8x C    32.1283  -14.7674
            25  S4a S    30.9706  -12.6727
            26  C8x C    29.7020  -16.1638
            27  C8x C    32.1283  -16.1638
            28  O3c O    29.5741  -12.6727
            29  O3c O    32.3730  -12.6727
            30  O1d O    30.9648  -11.2763
            31  C8y C    30.9181  -16.8736
            32  C1a C    30.9239  -18.2702
BOND        34
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    7  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18    9  16 1
            19   16  17 1
            20   17  18 1
            21    9  19 1
            22   18  20 1
            23   20  21 1
            24   22  23 1
            25   22  24 2
            26   22  25 1
            27   23  26 2
            28   24  27 1
            29   25  28 2
            30   25  29 2
            31   25  30 1
            32   26  31 1
            33   31  32 1
            34   27  31 2


entry: D03642
name: --- - Daltroban (USAN)
formula: C16H16ClNO4S
activity: Immunosuppressant
kcf:
ATOM        23
            1   C8x C    21.1400  -25.6900
            2   C8y C    21.1400  -27.0900
            3   C8x C    22.3524  -27.7900
            4   C8x C    23.5649  -27.0900
            5   C8y C    23.5649  -25.6900
            6   C8x C    22.3524  -24.9900
            7   X   Cl   19.9276  -27.7900
            8   S4a S    24.7960  -24.9790
            9   N1b N    25.9924  -24.2900
            10  C1b C    27.2049  -24.9900
            11  C1b C    28.4173  -24.2900
            12  C8y C    29.6297  -24.9900
            13  C8x C    30.8422  -24.2900
            14  C8x C    32.0546  -24.9900
            15  O3c O    24.0960  -23.7665
            16  O3c O    25.4960  -26.1914
            17  C8x C    29.6297  -26.3900
            18  C8y C    32.0546  -26.3900
            19  C8x C    30.8462  -27.0877
            20  C1b C    33.2724  -27.0900
            21  C6a C    34.4849  -26.3900
            22  O6a O    35.6973  -27.0900
            23  O6a O    34.4849  -24.9902
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15    8  15 2
            16    8  16 2
            17   12  17 2
            18   14  18 1
            19   18  19 2
            20   17  19 1
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2


entry: D03643
name: --- - Dalvastatin (USAN)
formula: C24H31FO3
activity: Antihyperlipidemic
remark: Therapeutic category: 2189
kcf:
ATOM        28
            1   C1y C    32.5500  -14.6300
            2   C1x C    32.5500  -16.0300
            3   C1y C    33.7624  -16.7300
            4   O7x O    34.9749  -16.0300
            5   C7x C    34.9749  -14.6300
            6   C1x C    33.7624  -13.9300
            7   C2b C    33.7624  -18.1300
            8   C2b C    32.5333  -18.8398
            9   C2y C    32.5333  -20.2398
            10  C2y C    31.3376  -20.9301
            11  C1z C    31.3376  -22.3301
            12  C1x C    32.5501  -23.0301
            13  C1z C    33.7457  -22.3398
            14  C1x C    33.7457  -20.9398
            15  C8y C    30.1420  -20.2397
            16  C8x C    30.1420  -18.8303
            17  C8x C    28.9296  -18.1303
            18  C8y C    27.7171  -18.8303
            19  C8y C    27.7172  -20.2397
            20  C8x C    28.9296  -20.9397
            21  X   F    26.5067  -18.1315
            22  C1a C    26.5111  -20.9360
            23  O1a O    31.3376  -13.9300
            24  C1a C    35.0980  -21.9775
            25  C1a C    34.4457  -23.5523
            26  C1a C    30.6376  -23.5426
            27  C1a C    29.9853  -21.9678
            28  O7x O    36.2060  -13.9190
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1 #Down
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16   10  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   19  22 1
            25    1  23 1 #Up
            26   13  24 1
            27   13  25 1
            28   11  26 1
            29   11  27 1
            30    5  28 2


entry: D03644
name: --- - Danaparoid sodium (JAN/USAN) - Orgaran (TN)
activity: Antithrombotic
remark: Therapeutic category: 3339
comment:
Danaparoid is a low molecular weight heparinoid. Mixture of the sodium salts of heparan sulfate [CPD:C00925], dermatan sulfate [CPD:C00426], and chondroitin sulfate [CPD:C00607].


entry: D03648
name: --- - Dapiprazole hydrochloride (USAN) - Rev-Eyes (TN)
formula: C19H27N5. HCl
activity: Adrenergic [alpha-blocking]; Antiglaucoma agent; Neuroleptic; Psychotropic
kcf:
ATOM        25
            1   X   Cl   30.8008  -20.6681
            2   C1x C    12.5300  -20.5100
            3   C1x C    12.5300  -21.9100
            4   C1x C    13.7424  -22.6100
            5   C8y C    14.9549  -21.9100
            6   N4y N    14.9549  -20.5100
            7   C1x C    13.7424  -19.8100
            8   N5x N    16.1673  -22.6100
            9   N5x N    17.3797  -21.9100
            10  C8y C    17.3797  -20.5100
            11  C1b C    18.5724  -19.8100
            12  C1b C    19.7849  -20.5100
            13  N1y N    20.9973  -19.8100
            14  C1x C    22.2118  -20.5112
            15  C1x C    23.4242  -19.8112
            16  N1y N    23.4242  -18.4112
            17  C1x C    22.2097  -17.7100
            18  C1x C    20.9973  -18.4100
            19  C8y C    24.6563  -17.6996
            20  C8x C    25.8610  -18.3950
            21  C8x C    27.0734  -17.6949
            22  C8x C    27.0733  -16.2949
            23  C8x C    25.8687  -15.5995
            24  C8y C    24.6563  -16.2996
            25  C1a C    23.4363  -15.5952
BOND        27
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     5   8 2
            8     8   9 1
            9     9  10 2
            10    6  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   16  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   24  25 1


entry: D03649
name: --- - Dapoxetine hydrochloride (USAN)
formula: C21H23NO. HCl
activity: Antidepressant
remark: Therapeutic category: 1179
comment: serotonin reuptake inhibitor
kcf:
ATOM        24
            1   C8x C    46.7732  -26.0494
            2   C8x C    46.7732  -27.4544
            3   C8x C    45.5789  -28.1570
            4   C8y C    44.3144  -27.4544
            5   C8y C    44.3144  -26.0494
            6   C8x C    45.5789  -25.3469
            7   C8x C    43.1201  -28.1570
            8   C8x C    41.9258  -27.4544
            9   C8y C    41.9258  -26.0494
            10  C8x C    43.1201  -25.3469
            11  O2a O    40.7316  -25.3469
            12  C1b C    39.5373  -26.0494
            13  C1b C    38.3430  -25.3469
            14  C1c C    37.1488  -26.0494
            15  C8y C    35.9545  -25.3469
            16  N1c N    37.1488  -27.4544
            17  C1a C    35.9545  -28.1570
            18  C1a C    38.3430  -28.1570
            19  C8x C    34.7602  -26.0494
            20  C8x C    33.4957  -25.3469
            21  C8x C    33.4957  -23.9419
            22  C8x C    34.6900  -23.2394
            23  C8x C    35.9545  -23.9419
            24  X   Cl   49.8642  -26.1197
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1 #Down
            18   16  17 1
            19   16  18 1
            20   15  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   15  23 1


entry: D03650
name: --- - Darapladib (USAN)
formula: C36H38F4N4O2S
activity: Treatment of atherosclerosis
kcf:
ATOM        47
            1   C8y C    16.8000  -17.7100
            2   N5x N    16.8000  -19.1100
            3   C8y C    18.0124  -19.8100
            4   C8y C    19.2249  -19.1100
            5   C8y C    19.2249  -17.7100
            6   N4y N    18.0124  -17.0100
            7   C1x C    20.5564  -19.5426
            8   C1x C    21.3793  -18.4100
            9   C1x C    20.5564  -17.2774
            10  O5x O    18.0124  -21.2098
            11  C1b C    18.0124  -15.6102
            12  C5a C    19.2080  -14.9198
            13  N1c N    19.2082  -13.5103
            14  C1b C    20.3995  -12.8224
            15  O5a O    20.3951  -15.6053
            16  C1b C    17.9747  -12.7978
            17  C1b C    16.7685  -13.4940
            18  C8y C    21.5844  -13.5065
            19  N1c N    15.5867  -12.8115
            20  C1b C    14.3924  -13.5009
            21  C1a C    13.2047  -12.8150
            22  C1b C    15.5869  -11.4102
            23  C1a C    14.3918  -10.7200
            24  C8x C    21.5845  -14.9098
            25  C8x C    22.7969  -15.6097
            26  C8y C    24.0094  -14.9097
            27  C8x C    24.0093  -13.5064
            28  C8x C    22.7968  -12.8065
            29  C8y C    25.2224  -15.6100
            30  C8x C    25.2225  -17.0098
            31  C8x C    26.4349  -17.7098
            32  C8y C    27.6473  -17.0098
            33  C8x C    27.6473  -15.6100
            34  C8x C    26.4349  -14.9100
            35  C1d C    28.8619  -17.7110
            36  X   F    30.0582  -17.0201
            37  X   F    28.8620  -19.1098
            38  X   F    30.0575  -18.4012
            39  S2a S    15.5876  -17.0100
            40  C1b C    14.3921  -17.7004
            41  C8y C    13.2047  -17.0149
            42  C8x C    13.2046  -15.6102
            43  C8x C    11.9921  -14.9103
            44  C8y C    10.7797  -15.6105
            45  C8x C    10.7799  -17.0152
            46  C8x C    11.9924  -17.7151
            47  X   F     9.5672  -14.9106
BOND        51
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    3  10 2
            12    6  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   12  15 2
            17   13  16 1
            18   16  17 1
            19   14  18 1
            20   17  19 1
            21   19  20 1
            22   20  21 1
            23   19  22 1
            24   22  23 1
            25   18  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   18  28 1
            31   26  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   32  33 1
            36   33  34 2
            37   29  34 1
            38   32  35 1
            39   35  36 1
            40   35  37 1
            41   35  38 1
            42    1  39 1
            43   39  40 1
            44   40  41 1
            45   41  42 2
            46   42  43 1
            47   43  44 2
            48   44  45 1
            49   45  46 2
            50   41  46 1
            51   44  47 1


entry: D03652
name: --- - Darbufelone mesylate (USAN)
formula: C18H24N2O2S. CH4SO3
activity: Anti-inflammatory; Antiarthritic [dual cyclooxygenase and 5-lipoxygenase inhibitor]
kcf:
ATOM        28
            1   C8y C    24.1743  -18.4259
            2   C8x C    24.1743  -19.8440
            3   C8y C    25.4026  -20.5531
            4   C8x C    26.6306  -19.8440
            5   C8y C    26.6306  -18.4259
            6   C8y C    25.4026  -17.7168
            7   C1d C    22.9463  -17.7168
            8   C1d C    27.8602  -17.7160
            9   C1a C    29.0898  -18.4259
            10  C1a C    27.8602  -16.2987
            11  C1a C    21.7174  -18.4263
            12  C1a C    22.9463  -16.2987
            13  C2b C    25.4026  -21.9712
            14  O1a O    25.4026  -16.4405
            15  C1a C    29.0907  -17.0077
            16  C1a C    21.7163  -17.0077
            17  C2y C    26.6128  -22.6698
            18  C5x C    26.5668  -24.0518
            19  N1x N    27.8647  -24.5234
            20  C2y C    28.7143  -23.4346
            21  S2x S    27.9413  -22.2902
            22  O5x O    25.3885  -24.8478
            23  N2a N    30.1166  -23.4826
            24  O3c O    34.2687  -19.4722
            25  S4a S    34.2687  -20.8517
            26  C1a C    32.8894  -20.8517
            27  O1d O    35.6483  -20.8517
            28  O3c O    34.2687  -22.2312
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     1   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 1
            11    7  11 1
            12    7  12 1
            13    3  13 1
            14    6  14 1
            15    8  15 1
            16    7  16 1
            17   13  17 2
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   17  21 1
            23   18  22 2
            24   20  23 2
            25   24  25 2
            26   25  26 1
            27   25  27 1
            28   25  28 2


entry: D03653
name: --- - Darglitazone sodium (USAN)
formula: C23H19N2O4S. Na
activity: Hypoglycemic [oral]
remark: Therapeutic category: 3969
kcf:
ATOM        31
            1   C8x C    28.0502  -14.6817
            2   C8y C    28.0502  -13.2834
            3   C8x C    26.8616  -12.5842
            4   C8x C    25.6031  -13.2834
            5   C8y C    25.6031  -14.6817
            6   C8x C    26.8616  -15.3809
            7   C5a C    29.2388  -12.5842
            8   C1b C    30.4274  -13.2834
            9   C1b C    24.4145  -15.3809
            10  C1y C    23.2259  -14.6817
            11  C5x C    23.2261  -13.2659
            12  N2x N    21.9530  -12.7946 #-
            13  C5x C    21.0872  -13.8679
            14  S2x S    21.8327  -15.0385
            15  O5x O    19.6835  -13.8714
            16  O5x O    24.3967  -12.5204
            17  O5a O    29.2388  -11.1858
            18  C1b C    31.6160  -12.5842
            19  C8y C    32.8046  -13.2834
            20  C8y C    32.8055  -14.6862
            21  O2x O    34.1688  -15.1046
            22  C8y C    34.9835  -13.9920
            23  N5x N    34.1842  -12.8574
            24  C1a C    31.6895  -15.5119
            25  C8y C    36.4000  -14.0049
            26  C8x C    37.0869  -15.2899
            27  C8x C    38.4868  -15.2326
            28  C8x C    39.1978  -14.0266
            29  C8x C    38.5109  -12.8116
            30  C8x C    37.1110  -12.7988
            31  Z   Na   21.6196  -11.3257 #+
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     2   7 1
            8     7   8 1
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   10  14 1
            16   13  15 2
            17   11  16 2
            18    7  17 2
            19    8  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 2
            25   19  23 1
            26   20  24 1
            27   22  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1


entry: D03654
name: --- - Darifenacin (USAN)
formula: C28H30N2O2
activity: Treatment for an overactive bladder
remark: Therapeutic category: 2590
kcf:
ATOM        32
            1   C8x C     9.8000  -23.0300
            2   C8x C     9.8000  -24.4300
            3   C8x C    11.0124  -25.1300
            4   C8x C    12.2249  -24.4300
            5   C8y C    12.2249  -23.0300
            6   C8x C    11.0124  -22.3300
            7   C8x C    14.6497  -24.4300
            8   C8y C    14.6497  -23.0300
            9   C1d C    13.4373  -22.3300
            10  C8x C    15.8622  -25.1300
            11  C8x C    17.0746  -24.4300
            12  C8x C    17.0746  -23.0300
            13  C8x C    15.8622  -22.3300
            14  C1y C    13.4373  -20.9300
            15  C5a C    11.3149  -21.0700
            16  O5a O    11.3149  -19.6700
            17  N1a N    10.1173  -21.7520
            18  C1x C    14.5717  -20.1058
            19  N1y N    14.1384  -18.7723
            20  C1x C    12.7362  -18.7723
            21  C1x C    12.3029  -20.1058
            22  C1b C    16.9966  -18.7058
            23  C1b C    15.7841  -18.0058
            24  C8y C    18.2260  -17.9961
            25  C8x C    19.4161  -18.6836
            26  C8y C    20.6287  -17.9838
            27  C8y C    20.6289  -16.5838
            28  C8x C    19.4387  -15.8963
            29  C8x C    18.2262  -16.5961
            30  C1x C    21.9601  -18.4166
            31  C1x C    22.7832  -17.2841
            32  O2x O    21.9605  -16.1514
BOND        36
            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 #Down
            16    9  15 1
            17   15  16 2
            18   15  17 1
            19   14  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   14  21 1
            24   22  23 1
            25   22  24 1
            26   19  23 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   24  29 1
            33   26  30 1
            34   30  31 1
            35   31  32 1
            36   27  32 1


entry: D03655
name: --- - Darodipine (USAN)
formula: C19H21N3O5
activity: Antihypertensive; Bronchodilator; Vasodilator
remark: Therapeutic category: 2149
kcf:
ATOM        27
            1   C1y C     9.7763   -6.4487
            2   C2y C    10.9861   -5.7370
            3   C2y C     8.5665   -5.7370
            4   C8y C     9.7763   -8.8682
            5   C2y C    10.9861   -4.3849
            6   C7a C    12.1958   -6.4487
            7   C2y C     8.5665   -4.3849
            8   C7a C     7.4279   -6.3775
            9   C8x C    10.9861   -9.5798
            10  C8y C     8.5665   -9.5798
            11  N1x N     9.7763   -3.6733
            12  C1a C    12.1958   -3.6733
            13  O7a O    13.3345   -5.7370
            14  O7a O    12.1958   -7.8008
            15  C1a C     7.4279   -3.6733
            16  O7a O     6.2182   -5.7370
            17  O7a O     7.4279   -7.8008
            18  C8x C    10.9861  -10.8608
            19  C8y C     8.5665  -10.8608
            20  C1b C    14.5442   -6.4487
            21  C1b C     5.0084   -6.3775
            22  C8x C     9.7763  -11.5724
            23  C1a C    15.7826   -5.7471
            24  N5x N     7.3483   -9.1840
            25  O2x O     6.5953  -10.2203
            26  N5x N     7.3483  -11.2566
            27  C1a C     3.8421   -5.6454
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 2
            17    9  18 1
            18   10  19 1
            19   13  20 1
            20   16  21 1
            21   18  22 2
            22    7  11 1
            23   19  22 1
            24   20  23 1
            25   10  24 2
            26   24  25 1
            27   25  26 1
            28   19  26 2
            29   21  27 1


entry: D03656
name: --- - Darunavir (USAN)
formula: C27H37N3O7S
activity: Treatment of HIV infections
remark: Therapeutic category: 6250
kcf:
ATOM        38
            1   C1y C    33.7636  -15.0281
            2   N1c N    25.3035  -15.6573
            3   C1b C    26.4921  -14.9581
            4   S4a S    24.1149  -14.9581
            5   C1c C    27.7506  -15.6573
            6   C8y C    22.8564  -15.6573
            7   C1c C    28.9392  -14.9581
            8   C1b C    28.9392  -13.5598
            9   N1b N    30.1278  -15.6573
            10  C8y C    27.7506  -12.8606
            11  C7a C    31.3164  -14.9581
            12  C8x C    26.4921  -13.5598
            13  C8x C    27.7506  -11.4622
            14  O7a O    32.5750  -15.6573
            15  O7a O    31.3164  -13.5598
            16  C8x C    25.3035  -12.8606
            17  C8x C    26.4921  -10.7631
            18  C8x C    25.3035  -11.4622
            19  C8x C    22.8564  -17.0557
            20  C8x C    21.6678  -17.7549
            21  C8y C    20.4792  -17.0557
            22  C8x C    20.4792  -15.6573
            23  C8x C    21.6678  -14.9581
            24  C1b C    25.3035  -18.1057
            25  O1a O    27.6807  -17.0557
            26  O3c O    25.0938  -13.9793
            27  O3c O    23.1361  -13.9793
            28  C1y C    35.1016  -15.4482
            29  C1y C    35.9144  -14.3276
            30  O2x O    35.0951  -13.1837
            31  C1x C    33.7471  -13.6107
            32  C1x C    35.9900  -16.5811
            33  C1x C    37.2570  -16.0851
            34  O2x O    37.2562  -14.7512
            35  N1a N    19.2207  -17.7549
            36  C1c C    26.5170  -18.7664
            37  C1a C    26.5170  -20.1664
            38  C1a C    27.7330  -18.0439
BOND        41
            1     2   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     5   7 1
            6     7   8 1 #Down
            7     7   9 1
            8     8  10 1
            9     9  11 1
            10   10  12 2
            11   10  13 1
            12   11  14 1
            13   11  15 2
            14   12  16 1
            15   13  17 2
            16   16  18 2
            17   17  18 1
            18    6  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23    6  23 1
            24    2  24 1
            25    5  25 1 #Down
            26    4  26 2
            27    4  27 2
            28    1  14 1 #Up
            29    1  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33    1  31 1
            34   28  32 1
            35   32  33 1
            36   33  34 1
            37   29  34 1
            38   21  35 1
            39   24  36 1
            40   36  37 1
            41   36  38 1


entry: D03657
name: --- - Dasantafil (USAN)
formula: C22H28BrN5O5
activity: Treatment of erectile dysfunction [phosphodiesterase (PDE) 5 isoenzyme inhibitor]
remark: Therapeutic category: 2590
kcf:
ATOM        33
            1   N4y N    24.1134  -15.4334
            2   C8y C    24.1134  -16.8357
            3   N4y N    25.3278  -17.5368
            4   C8y C    26.5423  -16.8357
            5   C8y C    26.5423  -15.4334
            6   C8y C    25.3278  -14.7323
            7   N5x N    27.8759  -17.2690
            8   C8y C    28.7002  -16.1346
            9   N4y N    27.8759  -15.0001
            10  O5x O    25.3278  -13.3302
            11  C1b C    22.8990  -14.7323
            12  C1a C    21.7016  -15.4238
            13  O5x O    22.8990  -17.5368
            14  C1b C    25.3278  -18.9389
            15  C1b C    26.5253  -19.6304
            16  O1a O    27.7145  -18.9439
            17  N1b N    30.0731  -16.1346
            18  C1b C    27.8759  -13.6001
            19  C8y C    29.0849  -12.9020
            20  C8x C    30.2617  -13.5813
            21  C8x C    31.4741  -12.8812
            22  C8y C    31.4739  -11.4812
            23  C8y C    30.2971  -10.8019
            24  C8x C    29.0848  -11.5020
            25  X   Br   30.2968   -9.3801
            26  O2a O    32.7062  -10.7694
            27  C1a C    33.9111  -11.4648
            28  C1y C    30.7650  -17.3320
            29  C1y C    32.1650  -17.3315
            30  O1a O    32.8646  -16.1188
            31  C1x C    30.3328  -18.6636
            32  C1x C    31.4657  -19.4861
            33  C1x C    32.5981  -18.6628
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    6  10 2
            12    1  11 1
            13   11  12 1
            14    2  13 2
            15    3  14 1
            16   14  15 1
            17   15  16 1
            18    8  17 1
            19    9  18 1
            20   18  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   23  25 1
            28   22  26 1
            29   26  27 1
            30   28  17 1 #Up
            31   28  29 1
            32   29  30 1 #Down
            33   28  31 1
            34   31  32 1
            35   32  33 1
            36   29  33 1


entry: D03658
name: --- - Dasatinib (USAN) - Sprycel (TN)
formula: C22H26ClN7O2S
activity: Antineoplastic
remark: Therapeutic category: 4291
kcf:
ATOM        33
            1   C8y C    29.9758  -20.2312
            2   N5x N    29.9758  -21.6365
            3   C8y C    31.1928  -22.3391
            4   N5x N    32.4099  -21.6365
            5   C8y C    32.4099  -20.2312
            6   C8x C    31.1928  -19.5285
            7   N1b N    28.7588  -19.5285
            8   N1y N    33.6457  -19.5175
            9   C1a C    31.1928  -23.7443
            10  C1x C    34.8554  -20.2158
            11  C1x C    36.0723  -19.5131
            12  N1y N    36.0723  -18.1078
            13  C1x C    34.8626  -17.4094
            14  C1x C    33.6456  -18.1122
            15  C8y C    27.5611  -20.2171
            16  S2x S    26.4562  -19.3972
            17  C8y C    25.3351  -20.1946
            18  C8x C    25.7470  -21.5073
            19  N5x N    27.1227  -21.5212
            20  C5a C    24.1269  -19.5122
            21  N1b N    22.9324  -20.2145
            22  O5a O    24.1153  -18.0801
            23  C8y C    21.6793  -19.5047
            24  C8y C    21.6676  -18.0848
            25  C8x C    20.4448  -17.3923
            26  C8x C    19.2336  -18.1050
            27  C8x C    19.2453  -19.5249
            28  C8y C    20.4681  -20.2175
            29  X   Cl   22.8702  -17.3774
            30  C1a C    20.4093  -21.5897
            31  C1b C    37.2948  -17.4017
            32  C1b C    38.5114  -18.1038
            33  O1a O    39.6948  -17.4204
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     3   9 1
            10    8  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    8  14 1
            16    7  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   15  19 2
            22   17  20 1
            23   20  21 1
            24   20  22 2
            25   21  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   24  29 1
            33   28  30 1
            34   12  31 1
            35   31  32 1
            36   32  33 1


entry: D03659
name: --- - Dazadrol maleate (USAN)
formula: C15H14ClN3O. C4H4O4
activity: Antidepressant
kcf:
ATOM        28
            1   C8x C    21.2825  -16.0608
            2   C8y C    21.2825  -17.4560
            3   C8x C    22.4938  -18.1537
            4   C8x C    23.6980  -17.4560
            5   C8y C    23.6980  -16.0608
            6   C8x C    22.4938  -15.3631
            7   C1d C    24.9069  -15.3641
            8   C8y C    26.1147  -16.0627
            9   C8x C    26.1081  -17.4558
            10  C8x C    27.3161  -18.1546
            11  C8x C    28.5948  -17.4577
            12  C8x C    28.5258  -16.0625
            13  N5x N    27.3182  -15.3639
            14  C2y C    24.9047  -13.9749
            15  N2x N    26.0536  -13.1378
            16  C1x C    25.6124  -11.7863
            17  C1x C    24.1909  -11.7883
            18  N1x N    23.7535  -13.1410
            19  X   Cl   20.0380  -18.1755
            20  O1a O    23.6945  -14.6641
            21  C6a C    35.1585  -14.6855
            22  C2b C    34.4872  -13.5274
            23  O6a O    34.5622  -15.9187
            24  O6a O    36.5015  -14.6793
            25  C2b C    32.8793  -13.5335
            26  C6a C    32.2141  -14.6977
            27  O6a O    30.8711  -14.6977
            28  O6a O    32.8918  -15.9248
BOND        29
            1    11  12 1
            2    12  13 2
            3    13   8 1
            4     6   1 1
            5     7  14 1
            6     5   7 1
            7     7   8 1
            8     1   2 2
            9     2   3 1
            10    3   4 2
            11    4   5 1
            12    5   6 2
            13    8   9 2
            14    9  10 1
            15   10  11 2
            16   14  15 2
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   14  18 1
            21    2  19 1
            22    7  20 1
            23   21  22 1
            24   21  23 1
            25   21  24 2
            26   22  25 2
            27   25  26 1
            28   26  27 1
            29   26  28 2


entry: D03660
name: --- - Dazepinil hydrochloride (USAN)
formula: C17H18N2. HCl
activity: Antidepressant
kcf:
ATOM        20
            1   C2y C    27.8875  -17.1153
            2   N1y N    27.0439  -16.0038
            3   C1y C    27.3797  -14.6446
            4   C1x C    28.6429  -14.0655
            5   N2x N    29.2958  -17.1406
            6   C8y C    29.8987  -14.6889
            7   C8y C    30.1857  -16.0600
            8   C8x C    31.5193  -16.4979
            9   C8x C    32.5653  -15.5618
            10  C8x C    32.2784  -14.1907
            11  C8x C    30.9446  -13.7529
            12  C1a C    27.2519  -18.3672
            13  C8y C    26.3171  -13.7645
            14  C8x C    26.3171  -12.3621
            15  C8x C    25.1025  -11.6608
            16  C8x C    23.8879  -12.3621
            17  C8x C    23.8879  -13.7645
            18  C8x C    25.1025  -14.4657
            19  C1a C    25.6439  -16.0038
            20  X   Cl   32.3820  -18.0876
BOND        21
            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     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    6  11 2
            13    1  12 1
            14    3  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21    2  19 1


entry: D03661
name: --- - Dazmegrel (USAN)
formula: C16H17N3O2
activity: Inhibitor [thromboxane synthetase]
kcf:
ATOM        21
            1   C8x C    24.3196  -16.2013
            2   C8x C    24.3196  -14.7991
            3   C8x C    25.5114  -14.0980
            4   C8y C    26.7733  -14.7991
            5   C8y C    26.7733  -16.2013
            6   C8x C    25.5114  -16.9024
            7   N4y N    28.0353  -14.3785
            8   C8y C    28.8766  -15.5002
            9   C8y C    28.0353  -16.6219
            10  C1a C    30.2787  -15.5002
            11  C1b C    28.0353  -18.0219
            12  N4y N    29.2590  -18.7291
            13  C8x C    29.2590  -20.1291
            14  C8x C    30.5905  -20.5618
            15  N5x N    31.4134  -19.4291
            16  C8x C    30.5905  -18.2965
            17  C1b C    28.0353  -12.9785
            18  C1b C    29.2862  -12.2565
            19  C6a C    30.4760  -12.9439
            20  O6a O    31.6664  -12.2568
            21  O6a O    30.4758  -14.3498
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   12  16 1
            19    7  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 2


entry: D03662
name: --- - Dazopride fumarate (USAN)
formula: C15H23ClN4O2. C4H4O4
activity: Stimulant [peristaltic]
remark: Therapeutic category: 2399
kcf:
ATOM        30
            1   C6a C    30.4500  -14.2100
            2   C2b C    31.6400  -14.9100
            3   O6a O    29.1900  -14.9100
            4   O6a O    30.4500  -12.8100
            5   C2b C    32.8300  -14.2100
            6   C6a C    34.0200  -14.9100
            7   O6a O    35.2100  -14.2100
            8   O6a O    34.0200  -16.3100
            9   C1y C    23.6600  -13.5800
            10  N1b N    22.4000  -14.2800
            11  C5a C    21.2100  -13.5800
            12  C8y C    20.0200  -14.2800
            13  O5a O    21.2100  -12.1800
            14  C8x C    18.8300  -13.5800
            15  C8y C    17.5700  -14.2800
            16  C8y C    17.5700  -15.6800
            17  C8x C    18.8300  -16.3800
            18  C8y C    20.0200  -15.6800
            19  O2a O    21.2100  -16.3800
            20  C1a C    22.4700  -15.6800
            21  N1a N    16.3800  -16.3800
            22  X   Cl   16.3800  -13.5800
            23  C1x C    23.6600  -12.1800
            24  N1y N    24.9900  -11.6900
            25  N1y N    25.8300  -12.8100
            26  C1x C    25.0600  -14.0000
            27  C1b C    27.2300  -12.8100
            28  C1a C    27.9300  -11.5500
            29  C1b C    25.4100  -10.3600
            30  C1a C    26.7400  -10.0100
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    11  13 2
            9    12  14 2
            10   14  15 1
            11   15  16 2
            12   16  17 1
            13   17  18 2
            14   18  12 1
            15   18  19 1
            16   19  20 1
            17   16  21 1
            18   15  22 1
            19    9  10 1
            20   10  11 1
            21   11  12 1
            22    9  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26    9  26 1
            27   25  27 1
            28   27  28 1
            29   24  29 1
            30   29  30 1


entry: D03663
name: --- - Dazoxiben hydrochloride (USAN)
formula: C12H12N2O3. HCl
activity: Antithrombotic
kcf:
ATOM        18
            1   X   Cl   36.5700  -14.9846
            2   C8x C    24.8500  -14.1400
            3   C8y C    24.8500  -15.5400
            4   C8x C    26.0624  -16.2400
            5   C8x C    27.2749  -15.5400
            6   C8y C    27.2749  -14.1400
            7   C8x C    26.0624  -13.4400
            8   C6a C    23.6376  -16.2400
            9   O6a O    22.4421  -15.5496
            10  O6a O    23.6375  -17.6398
            11  O2a O    28.5060  -13.4290
            12  C1b C    29.7112  -14.1247
            13  C1b C    30.8935  -13.4419
            14  N4y N    32.0875  -14.1312
            15  C8x C    32.0875  -15.5312
            16  C8x C    33.4190  -15.9638
            17  N5x N    34.2419  -14.8312
            18  C8x C    33.4190  -13.6986
BOND        18
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     3   8 1
            8     8   9 1
            9     8  10 2
            10    6  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   14  18 1


entry: D03664
name: --- - Debrisoquin sulfate (USAN) - Declinax (TN)
formula: (C10H13N3)2. H2SO4
activity: Antihypertensive
kcf:
ATOM        31
            1   C8x C     5.5051   -9.1214
            2   C8x C     5.5051  -10.5211
            3   C8x C     6.7173  -11.2210
            4   C8y C     7.9295  -10.5211
            5   C8y C     7.9295   -9.1214
            6   C8x C     6.7173   -8.4216
            7   C1x C     9.1417  -11.2210
            8   C1x C    10.3539  -10.5211
            9   N1y N    10.3539   -9.1214
            10  C1x C     9.1417   -8.4216
            11  C2c C    11.5687   -8.4201
            12  N1a N    12.7830   -9.1210
            13  N2a N    11.5687   -7.0218
            14  S4a S    19.5002   -8.9369
            15  O1d O    20.9001   -8.9369
            16  O1d O    18.1003   -8.9767
            17  O3c O    19.5631  -10.3368
            18  O3c O    19.5037   -7.5369
            19  C8x C     5.5051   -9.1214
            20  C8x C     5.5051  -10.5211
            21  C8x C     6.7173  -11.2210
            22  C8y C     7.9295  -10.5211
            23  C8y C     7.9295   -9.1214
            24  C8x C     6.7173   -8.4216
            25  C1x C     9.1417   -8.4216
            26  N1y N    10.3539   -9.1214
            27  C1x C    10.3539  -10.5211
            28  C1x C     9.1417  -11.2210
            29  C2c C    11.5687   -8.4201
            30  N1a N    12.7830   -9.1210
            31  N2a N    11.5687   -7.0218
BOND        32
            1    14  15 1
            2    14  16 1
            3    14  17 2
            4    14  18 2
            5     1   2 1
            6     2   3 2
            7     3   4 1
            8     4   5 2
            9     5   6 1
            10    1   6 2
            11    4   7 1
            12    7   8 1
            13    8   9 1
            14    9  10 1
            15    5  10 1
            16    9  11 1
            17   11  12 1
            18   11  13 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   19  24 2
            25   22  28 1
            26   28  27 1
            27   27  26 1
            28   26  25 1
            29   23  25 1
            30   26  29 1
            31   29  30 1
            32   29  31 2


entry: D03665
name: --- - Decitabine (USAN) - Dacogen (TN)
formula: C8H12N4O4
activity: Antineoplastic
remark: Therapeutic category: 4291
kcf:
ATOM        16
            1   C1y C    26.0427  -16.4541
            2   C1x C    27.4429  -16.4541
            3   C1y C    27.8756  -15.1224
            4   O2x O    26.7428  -14.2993
            5   C1y C    25.6100  -15.1224
            6   C1b C    24.2901  -14.6935
            7   N4y N    29.1955  -14.6935
            8   O1a O    25.2196  -17.5870
            9   O1a O    23.2456  -15.6339
            10  C8x C    30.4105  -15.3964
            11  N5x N    31.6239  -14.6975
            12  C8y C    31.6252  -13.2971
            13  N5x N    30.4087  -12.5932
            14  C8y C    29.1955  -13.2922
            15  O5x O    27.9630  -12.5793
            16  N1a N    32.8225  -12.6079
BOND        17
            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     1   8 1 #Down
            9     6   9 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14    7  14 1
            15    7  10 1
            16   14  15 2
            17   12  16 1


entry: D03666
name: --- - Declenperone (USAN)
formula: C22H24FN3O2
activity: Sedative [veterinary]
kcf:
ATOM        28
            1   C8x C    20.7285  -14.2951
            2   C8y C    20.7285  -15.6965
            3   C8x C    21.9421  -16.3973
            4   C8x C    23.1559  -15.6965
            5   C8y C    23.1559  -14.2951
            6   C8x C    21.9421  -13.5943
            7   X   F    19.5148  -16.3973
            8   C5a C    24.3883  -13.5833
            9   C1y C    25.5949  -14.2798
            10  O5a O    24.3880  -12.1930
            11  C1x C    25.5953  -15.6961
            12  C1x C    26.8092  -16.3966
            13  N1y N    28.0228  -15.6954
            14  C1x C    28.0223  -14.2790
            15  C1x C    26.8084  -13.5786
            16  C1b C    29.2299  -16.3973
            17  C1b C    30.4437  -15.6965
            18  C1b C    31.6575  -16.3973
            19  N4y N    32.8712  -15.6965
            20  C8y C    34.1775  -16.1583
            21  C8y C    35.0176  -15.0593
            22  N4x N    34.2321  -13.9206
            23  C8y C    32.9064  -14.3157
            24  C8x C    34.7162  -17.4522
            25  C8x C    36.1060  -17.6326
            26  C8x C    36.9463  -16.5335
            27  C8x C    36.4075  -15.2397
            28  O5x O    31.7650  -13.4433
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     2   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    9  15 1
            17   13  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 1
            25   19  23 1
            26   20  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   21  27 1
            31   23  28 2


entry: D03667
name: --- - Decoquinate (USP) - Deccox (TN)
formula: C24H35NO5
activity: Coccidiostat [for poultry]
kcf:
ATOM        30
            1   C8y C    32.3014  -15.0197
            2   C8y C    32.3014  -16.4085
            3   C8y C    33.5055  -14.3102
            4   C8x C    31.0971  -14.3340
            5   C8x C    31.0971  -17.1062
            6   N5x N    33.5174  -17.1002
            7   C8y C    34.7157  -15.0136
            8   C8y C    29.9108  -15.0197
            9   C8y C    29.9108  -16.4085
            10  C8x C    34.6978  -16.3430
            11  C7a C    35.9021  -14.3163
            12  O2a O    28.7186  -17.0882
            13  O7a O    37.0884  -15.0017
            14  O7a O    35.8960  -12.9510
            15  C1b C    38.5132  -14.0778
            16  C1a C    39.7944  -14.7315
            17  O1a O    33.5012  -12.8868
            18  O2a O    28.6723  -14.3051
            19  C1b C    27.4845  -14.9911
            20  C1b C    27.4959  -16.3733
            21  C1b C    26.2728  -14.2917
            22  C1a C    26.2637  -17.0756
            23  C1b C    25.0772  -14.9821
            24  C1a C    23.8733  -14.2870
            25  C1b C    27.4845  -14.9911
            26  C1b C    26.2728  -14.2917
            27  C1b C    27.4845  -14.9911
            28  C1b C    26.2728  -14.2917
            29  C1b C    27.4845  -14.9911
            30  C1b C    26.2728  -14.2917
BOND        31
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     6  10 2
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   11  14 2
            14   13  15 1
            15    7  10 1
            16    8   9 1
            17   15  16 1
            18    3  17 1
            19    8  18 1
            20   12  20 1
            21   20  22 1
            22   23  24 1
            23   18  19 1
            24   19  21 1
            25   21  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  23 1


entry: D03668
name: --- - Dectaflur (USAN)
formula: C18H37N. HF
activity: Dental caries prophylactic
remark: Therapeutic category: 2790
kcf:
ATOM        20
            1   C1a C    19.9697  -15.3300
            2   C1b C    21.1822  -14.6300
            3   C1b C    22.3946  -15.3300
            4   C1b C    23.6070  -14.6300
            5   C2b C    24.8195  -15.3300
            6   C2b C    26.0319  -14.6300
            7   C1b C    27.2444  -15.3300
            8   C1b C    28.5268  -14.6300
            9   N1a N    30.0192  -15.3300
            10  X   F    33.3901  -15.3300
            11  C1b C    27.2444  -15.3300
            12  C1b C    28.5268  -14.6300
            13  C1b C    27.2444  -15.3300
            14  C1b C    28.5268  -14.6300
            15  C1b C    27.2444  -15.3300
            16  C1b C    28.5268  -14.6300
            17  C1b C    22.3946  -15.3300
            18  C1b C    23.6070  -14.6300
            19  C1b C    22.3946  -15.3300
            20  C1b C    23.6070  -14.6300
BOND        18
            1     1   2 1
            2     5   6 2
            3     6   7 1
            4     7   8 1
            5     8  11 1
            6    11  12 1
            7    12  13 1
            8    13  14 1
            9    14  15 1
            10   15  16 1
            11   16   9 1
            12    2   3 1
            13    3   4 1
            14    4  17 1
            15   17  18 1
            16   18  19 1
            17   19  20 1
            18   20   5 1


entry: D03669
name: --- - Deferasirox (USAN) - Exjade (TN)
formula: C21H15N3O4
activity: Treatment of iron overload [iron chelator]
remark: Therapeutic category: 3929
kcf:
ATOM        28
            1   N5x N     8.9600  -13.9300
            2   C8y C     8.9600  -15.3300
            3   N5x N    10.2915  -15.7626
            4   N4y N    11.1144  -14.6300
            5   C8y C    10.2915  -13.4974
            6   C8y C    12.5144  -14.6300
            7   C8x C    13.2182  -15.8492
            8   C8x C    14.6182  -15.8492
            9   C8y C    15.3183  -14.6368
            10  C8x C    14.6145  -13.4177
            11  C8x C    13.2145  -13.4176
            12  C6a C    16.7300  -14.6370
            13  O6a O    17.4331  -13.4194
            14  O6a O    17.4269  -15.8442
            15  C8y C     7.7476  -16.0300
            16  C8x C     6.5521  -15.3396
            17  C8x C     5.3396  -16.0395
            18  C8x C     5.3394  -17.4395
            19  C8x C     6.5349  -18.1299
            20  C8y C     7.7474  -17.4300
            21  O1a O     8.9766  -18.1400
            22  C8y C    10.2915  -12.0974
            23  C8x C    11.4973  -11.4012
            24  C8x C    11.4974  -10.0012
            25  C8x C    10.2850   -9.3012
            26  C8x C     9.0791   -9.9973
            27  C8y C     9.0791  -11.3973
            28  O1a O     7.8771  -12.0915
BOND        31
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     4   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    6  11 1
            13    9  12 1
            14   12  13 2
            15   12  14 1
            16    2  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   20  21 1
            24    5  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   27  28 1


entry: D03670
name: --- - Deferoxamine (USAN)
formula: C25H48N6O8
activity: Chelating agent [iron]
remark: Same as: C06940 Therapeutic category: 3929
kcf:
ATOM        39
            1   C5a C    24.0376  -15.6561
            2   C1a C    22.1361  -16.3589
            3   N1c N    25.2554  -16.3589
            4   O5a O    24.0376  -14.2584
            5   C1b C    26.4650  -15.6561
            6   O1b O    25.2554  -17.7566
            7   C1b C    27.6828  -16.3589
            8   C1b C    28.8924  -15.6561
            9   C1b C    30.1102  -16.3589
            10  C1b C    31.3200  -15.6561
            11  N1b N    32.5295  -16.3589
            12  C5a C    33.7393  -15.6561
            13  C1b C    34.9571  -16.3589
            14  O5a O    33.7393  -14.2584
            15  C1b C    36.1667  -15.6561
            16  C5a C    37.9445  -16.3589
            17  N1c N    39.1540  -15.6561
            18  O5a O    37.9445  -17.7566
            19  C1b C    40.3719  -16.3589
            20  O1b O    39.1540  -14.2584
            21  C1b C    41.6024  -15.6800
            22  C1b C    42.8149  -16.3800
            23  N1a N    44.0273  -15.6800
            24  C5a C    24.0376  -15.6561
            25  N1c N    25.2554  -16.3589
            26  O5a O    24.0376  -14.2584
            27  C1b C    26.4650  -15.6561
            28  O1b O    25.2554  -17.7566
            29  C1b C    27.6828  -16.3589
            30  C1b C    28.8924  -15.6561
            31  C1b C    30.1102  -16.3589
            32  C1b C    31.3200  -15.6561
            33  N1b N    32.5295  -16.3589
            34  C5a C    33.7393  -15.6561
            35  C1b C    34.9571  -16.3589
            36  O5a O    33.7393  -14.2584
            37  C1b C    36.1667  -15.6561
            38  C1b C    40.3719  -16.3589
            39  C1b C    41.6024  -15.6800
BOND        38
            1    16  17 1
            2    16  18 2
            3    17  20 1
            4    22  23 1
            5     1   2 1
            6     1   3 1
            7     1   4 2
            8     3   5 1
            9     3   6 1
            10    5   7 1
            11    7   8 1
            12    8   9 1
            13    9  10 1
            14   10  11 1
            15   11  12 1
            16   12  13 1
            17   12  14 2
            18   13  15 1
            19   15  24 1
            20   24  25 1
            21   24  26 2
            22   25  27 1
            23   25  28 1
            24   27  29 1
            25   29  30 1
            26   30  31 1
            27   31  32 1
            28   32  33 1
            29   33  34 1
            30   34  35 1
            31   34  36 2
            32   35  37 1
            33   37  16 1
            34   17  19 1
            35   19  21 1
            36   21  38 1
            37   38  39 1
            38   39  22 1


entry: D03671
name: --- - Deflazacort (USAN)
formula: C25H31NO6
activity: Anti-inflammatory
kcf:
ATOM        32
            1   C2x C    23.4825  -17.1847
            2   C5x C    23.4825  -18.5558
            3   C2x C    24.6699  -19.2414
            4   C2y C    25.8573  -18.5558
            5   C1z C    25.8573  -17.1847
            6   C2x C    24.6699  -16.4992
            7   C1x C    27.0447  -19.2414
            8   C1x C    28.2321  -18.5558
            9   C1y C    28.2321  -17.1847
            10  C1y C    27.0447  -16.4992
            11  C1y C    29.4195  -16.4992
            12  C1z C    29.4195  -15.1281
            13  C1x C    28.2321  -14.4426
            14  C1y C    27.0447  -15.1281
            15  C1a C    29.4195  -13.7570
            16  O1a O    25.8593  -14.4437
            17  C1a C    25.8573  -15.8137
            18  O5x O    22.2951  -19.2414
            19  C1x C    30.7235  -16.9229
            20  C1y C    31.5294  -15.8137
            21  C1z C    30.7235  -14.7044
            22  O2x O    32.8334  -15.3899
            23  C2y C    32.8334  -14.0188
            24  N2x N    31.5294  -13.5952
            25  C5a C    29.7669  -12.6558
            26  O5a O    30.9583  -11.9680
            27  C1b C    28.5834  -11.9725
            28  O7a O    27.4146  -12.6476
            29  C7a C    26.2508  -11.9756
            30  C1a C    25.0847  -12.6491
            31  O7a O    26.2506  -10.5994
            32  C1a C    33.9727  -13.1912
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   12  15 1 #Up
            18   14  16 1 #Up
            19    5  17 1 #Up
            20    2  18 2
            21   11  19 1
            22   19  20 1
            23   20  21 1
            24   12  21 1
            25   20  22 1 #Down
            26   22  23 1
            27   23  24 2
            28   21  24 1 #Down
            29   25  26 2
            30   25  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   29  31 2
            35   21  25 1 #Up
            36   23  32 1


entry: D03672
name: --- - Delequamine hydrochloride (USAN)
formula: C18H26N2O3S. HCl
activity: Impotence therapy adjust
kcf:
ATOM        25
            1   C1x C    28.5233  -20.6987
            2   C1x C    28.5233  -19.2955
            3   N1y N    29.7161  -18.5939
            4   C1y C    30.9790  -19.2955
            5   C1y C    30.9790  -20.6987
            6   C1x C    29.7161  -21.4003
            7   C1x C    32.1717  -18.5939
            8   C1y C    33.3644  -19.2955
            9   N1y N    33.3644  -20.6987
            10  C1x C    32.1717  -21.4003
            11  C8y C    34.6273  -18.5939
            12  C8y C    35.8200  -19.2955
            13  C1x C    35.8200  -20.6987
            14  C1x C    34.6273  -21.4003
            15  C8x C    34.6273  -17.1907
            16  C8x C    35.8200  -16.4891
            17  C8y C    37.0128  -17.1907
            18  C8x C    37.0128  -18.5939
            19  O2a O    38.2055  -16.4891
            20  C1a C    39.3982  -17.1907
            21  S4a S    29.7688  -16.9808
            22  C1a C    29.7688  -15.5776
            23  O3c O    28.3829  -16.9893
            24  O3c O    31.1893  -17.0421
            25  X   Cl   43.6692  -19.9287
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   11  15 2
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   18  12 2
            22   17  19 1
            23   19  20 1
            24    3  21 1
            25   21  22 1
            26   21  23 2
            27   21  24 2


entry: D03674
name: --- - Enoxaparin sodium (USAN) - Lovenox (TN)
activity:
Antithrombotic intended for use in the treatment of deep vein thrombosis; Prophylaxis of ischemic complications of unstable angina and non-Q-wave myocardial infarction, and treatment of acute deep vein thrombosis

comment:
Sodium salt of a low-molecular weight Heparin [CPD:C00374] obtained by alkaline depolymerization of the benzyl ester of Heparin from porcine mucosa.


entry: D03675
name: --- - Delmadinone acetate (USAN)
formula: C23H27ClO4
activity: Progestin; Anti-androgen; Anti-estrogen
kcf:
ATOM        28
            1   C1y C    34.5419  -20.1300
            2   C1y C    33.3732  -19.4415
            3   C1y C    35.7104  -19.4589
            4   C2x C    34.5419  -21.4837
            5   C1z C    32.1988  -20.1185
            6   C1x C    33.3848  -18.0936
            7   C1z C    35.7278  -18.1109
            8   C1x C    38.0535  -19.4878
            9   C2y C    33.3616  -22.1549
            10  C2y C    32.1931  -21.4722
            11  C2x C    31.0244  -19.4358
            12  C1x C    34.5651  -17.4225
            13  C1z C    36.9080  -17.4514
            14  C1a C    35.6873  -16.8266
            15  C1x C    38.0708  -18.1399
            16  C2x C    31.0244  -22.1489
            17  C2x C    29.8443  -20.1185
            18  C5x C    29.8443  -21.4722
            19  O5x O    28.6756  -22.1489
            20  X   Cl   33.4235  -23.5558
            21  C1a C    32.1988  -18.7297
            22  C5a C    36.9080  -16.0514
            23  O5a O    38.1159  -15.3539
            24  C1a C    35.6727  -15.3385
            25  O7a O    38.1204  -16.7514
            26  C7a C    39.3453  -17.4589
            27  C1a C    40.5663  -16.7546
            28  O7a O    39.3447  -18.8300
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Up
            14    8  15 1
            15   10  16 2
            16   11  17 2
            17   16  18 1
            18   18  19 2
            19    7  12 1
            20    9  10 1
            21   13  15 1
            22   17  18 1
            23    9  20 1
            24    5  21 1 #Up
            25   13  22 1 #Up
            26   22  23 2
            27   22  24 1
            28   13  25 1 #Down
            29   25  26 1
            30   26  27 1
            31   26  28 2


entry: D03678
name: --- - Fuchsin, basic (USP)
formula: C19H16N3R. HCl
activity: Anti-infective, topical
comment: Rosaniline (CAS 632-99-5) (R = -CH3) Pararosaniline (CAS 569-61-9) (R = -H)
kcf:
ATOM        24
            1   C2x C    22.8200  -13.9300
            2   C2x C    22.8200  -15.3300
            3   C2y C    24.0324  -16.0300
            4   C2x C    25.2449  -15.3300
            5   C2x C    25.2449  -13.9300
            6   C2y C    24.0324  -13.2300
            7   C2c C    24.0324  -17.4298
            8   C8y C    22.8032  -18.1397
            9   C8y C    25.2280  -18.1202
            10  C8x C    21.5992  -17.4446
            11  C8x C    20.3868  -18.1446
            12  C8y C    20.3869  -19.5446
            13  C8x C    21.5908  -20.2397
            14  C8x C    22.8032  -19.5397
            15  C8x C    25.2281  -19.5297
            16  C8x C    26.4406  -20.2296
            17  C8y C    27.6530  -19.5295
            18  C8y C    27.6529  -18.1200
            19  C8x C    26.4404  -17.4201
            20  N2a N    24.0324  -11.8302
            21  N1a N    19.1683  -20.2483
            22  N1a N    28.8635  -20.2282
            23  R   R    28.8588  -17.4237
            24  X   Cl   34.8600  -17.1500
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     3   7 2
            8     7   8 1
            9     7   9 1
            10    8  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    8  14 1
            16    9  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21    9  19 1
            22    6  20 2
            23   12  21 1
            24   17  22 1
            25   18  23 1


entry: D03679
name: --- - Delucemine hydrochloride (USAN)
formula: C16H17F2N. HCl
activity: Neuroprotection [NMDA recepttor antagonist]
kcf:
ATOM        20
            1   C8x C    23.6674  -15.6911
            2   C8x C    23.6674  -17.0920
            3   C8y C    24.8806  -17.7925
            4   C8x C    26.0938  -17.0920
            5   C8y C    26.0938  -15.6911
            6   C8x C    24.8806  -14.9906
            7   C8x C    28.5202  -17.0920
            8   C8y C    28.5202  -15.6911
            9   C1c C    27.3070  -14.9906
            10  C8y C    29.7335  -17.7925
            11  C8x C    30.9467  -17.0920
            12  C8x C    30.9467  -15.6911
            13  C8x C    29.7335  -14.9906
            14  C1b C    27.3070  -13.5897
            15  C1b C    28.5223  -12.8881
            16  X   F    24.8806  -19.1932
            17  X   F    29.7335  -19.1931
            18  N1b N    29.7069  -13.5722
            19  C1a C    30.8958  -12.8859
            20  X   Cl   33.1233  -16.2520
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     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    3  16 1
            18   10  17 1
            19   15  18 1
            20   18  19 1


entry: D03680
name: --- - Demethylchlortetracycline (JAN) - Demeclocycline (USP)
formula: C21H21ClN2O8
activity: Antibacterial
kcf:
ATOM        32
            1   C1y C    35.2619  -18.2923
            2   C1z C    35.2503  -19.6742
            3   C1y C    36.4630  -17.6043
            4   C1x C    34.0550  -17.5927
            5   C2y C    34.0550  -20.3739
            6   C5x C    36.4455  -20.3739
            7   O1a O    35.2503  -21.0676
            8   C2y C    37.6582  -18.3040
            9   N1c N    36.4689  -16.2050
            10  C1y C    32.8481  -18.2923
            11  C2y C    32.8481  -19.6859
            12  O1a O    34.0609  -21.7790
            13  C2y C    37.6524  -19.6917
            14  O5x O    36.4398  -21.7731
            15  O1a O    38.8710  -17.6103
            16  C1a C    37.6875  -15.5113
            17  C1a C    35.2619  -15.4996
            18  C1y C    31.6355  -17.5927
            19  C5x C    31.6472  -20.3913
            20  C5a C    38.8535  -20.3913
            21  C8y C    30.4286  -18.3040
            22  O1a O    31.6355  -16.1234
            23  C8y C    30.4344  -19.6976
            24  O5x O    31.6590  -21.7906
            25  N1a N    40.0720  -19.7033
            26  O5a O    38.8477  -21.7963
            27  C8y C    29.2158  -17.6043
            28  C8y C    29.2333  -20.4030
            29  C8x C    28.0030  -18.3157
            30  X   Cl   29.2100  -16.1992
            31  C8x C    28.0147  -19.7149
            32  O1a O    29.2450  -21.8080
BOND        35
            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    5  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    8  15 1
            15    9  16 1
            16    9  17 1
            17   10  18 1
            18   11  19 1
            19   13  20 1
            20   18  21 1
            21   18  22 1 #Up
            22   19  23 1
            23   19  24 2
            24   20  25 1
            25   20  26 2
            26   21  27 1
            27   23  28 1
            28   27  29 2
            29   27  30 1
            30   28  31 2
            31   28  32 1
            32    8  13 2
            33   10  11 1
            34   21  23 2
            35   29  31 1


entry: D03681
name: --- - Demecycline (USAN)
formula: C21H22N2O8
activity: Antibacterial
kcf:
ATOM        31
            1   C1y C    23.0119  -16.6823
            2   C1z C    23.0003  -18.0642
            3   C1y C    24.2130  -15.9943
            4   C1x C    21.8050  -15.9827
            5   C2y C    21.8050  -18.7639
            6   C5x C    24.1955  -18.7639
            7   O1a O    23.0003  -19.4576
            8   C2y C    25.4082  -16.6940
            9   N1c N    24.2189  -14.5950
            10  C1y C    20.5981  -16.6823
            11  C2y C    20.5981  -18.0759
            12  O1a O    21.8109  -20.1690
            13  C2y C    25.4024  -18.0817
            14  O5x O    24.1898  -20.1631
            15  O1a O    26.6210  -16.0003
            16  C1a C    25.4375  -13.9013
            17  C1a C    23.0119  -13.8896
            18  C1y C    19.3855  -15.9827
            19  C5x C    19.3972  -18.7813
            20  C5a C    26.6035  -18.7813
            21  C8y C    18.1786  -16.6940
            22  O1a O    19.3855  -14.5134
            23  C8y C    18.1844  -18.0876
            24  O5x O    19.4090  -20.1806
            25  N1a N    27.8220  -18.0933
            26  O5a O    26.5977  -20.1863
            27  C8x C    16.9658  -15.9943
            28  C8y C    16.9833  -18.7930
            29  C8x C    15.7530  -16.7057
            30  C8x C    15.7647  -18.1049
            31  O1a O    16.9950  -20.1980
BOND        34
            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    5  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    8  15 1
            15    9  16 1
            16    9  17 1
            17   10  18 1
            18   11  19 1
            19   13  20 1
            20   18  21 1
            21   18  22 1 #Up
            22   19  23 1
            23   19  24 2
            24   20  25 1
            25   20  26 2
            26   21  27 1
            27   23  28 1
            28   27  29 2
            29   28  30 2
            30   28  31 1
            31    8  13 2
            32   10  11 1
            33   21  23 2
            34   29  30 1


entry: D03685
name: --- - Denufosol tetrasodium (USAN)
formula: C18H23N5O21P4. 4Na
activity: Treatment of rhinitis, URI and lung disease, cystic fibrosis, retinal detachment and edema
kcf:
ATOM        52
            1   C1y C    20.2832  -14.7461
            2   O2x O    19.1131  -13.9384
            3   C1y C    17.9834  -14.8016
            4   C1x C    18.4553  -16.1428
            5   C1y C    19.8767  -16.1085
            6   N4y N    39.8330  -14.0192
            7   C1y C    38.2717  -14.6424
            8   O2x O    37.1356  -13.7916
            9   C1y C    37.8407  -15.8892
            10  C1y C    36.0285  -14.5840
            11  C1y C    36.4597  -15.8892
            12  O1a O    38.6447  -17.0254
            13  C1b C    34.7116  -14.1587
            14  O1a O    36.0168  -17.2060
            15  O2b O    33.6803  -15.0910
            16  P1b P    32.2818  -15.0910
            17  O2c O    30.8894  -15.0910
            18  O0  O    32.2761  -16.4836 #-
            19  O3b O    32.2761  -13.6984
            20  P1b P    29.4966  -15.0851
            21  O2c O    28.1042  -15.0851
            22  O0  O    29.4910  -16.4778 #-
            23  O3b O    29.4910  -13.6867
            24  P1b P    26.7058  -15.0793
            25  O0  O    26.7700  -16.4719 #-
            26  O2c O    25.3132  -15.1376
            27  O3b O    26.7700  -13.6809
            28  C8y C    41.0366  -14.7430
            29  N4x N    42.2573  -14.0658
            30  C8y C    42.2813  -12.6699
            31  C8x C    41.0844  -11.9513
            32  C8x C    39.8636  -12.6285
            33  O5x O    43.4828  -12.0030
            34  O5x O    41.0126  -16.1413
            35  P1b P    23.9172  -15.1376
            36  O2b O    22.5212  -15.1376
            37  O3b O    23.9168  -13.7687
            38  O0  O    23.9177  -16.5604 #-
            39  C1b C    21.6279  -14.2732
            40  N4y N    16.6531  -14.4046
            41  O1a O    20.7260  -17.2199
            42  C8x C    16.6513  -12.9985
            43  C8x C    15.4413  -12.3024
            44  C8y C    14.2333  -13.0021
            45  N5x N    14.2354  -14.4102
            46  C8y C    15.4455  -15.1065
            47  O5x O    15.4474  -16.5170
            48  N1a N    13.0202  -12.3041
            49  Z   Na   23.6837  -17.7465 #+
            50  Z   Na   26.4060  -17.8163 #+
            51  Z   Na   29.1981  -17.8163 #+
            52  Z   Na   32.0600  -17.8163 #+
BOND        51
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     7   6 1 #Up
            7     7   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11    9  12 1 #Down
            12   10  13 1 #Up
            13   11  14 1 #Down
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   16  18 1
            18   16  19 2
            19   17  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   10  11 1
            28    6  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 2
            33    6  32 1
            34   30  33 2
            35   28  34 2
            36   26  35 1
            37   35  36 1
            38   35  37 2
            39   35  38 1
            40   36  39 1
            41    1  39 1 #Down
            42    3  40 1 #Down
            43    5  41 1 #Up
            44   40  42 1
            45   42  43 2
            46   43  44 1
            47   44  45 2
            48   45  46 1
            49   40  46 1
            50   46  47 2
            51   44  48 1


entry: D03687
name: --- - Depreotide (USAN)
formula: C65H96N16O12S2
activity:
Diagnostic aid [nuclear medicine imaging agent used in the detection and localization of somatostatin receptor expressing tumors]

kcf:
ATOM        95
            1   C1y C     9.5900  -14.3500
            2   C5x C     9.5900  -15.7500
            3   O5x O    10.8024  -16.4500
            4   O5x O    12.0149  -15.7500
            5   C5x C    12.0149  -14.3500
            6   N1y N    10.8024  -13.6500
            7   O5x O    13.2273  -16.4500
            8   C5x C    14.4397  -15.7500
            9   N1x N    14.4397  -14.3500
            10  C1y C    13.2273  -13.6500
            11  N1x N     8.3776  -16.4500
            12  C1y C     8.3776  -17.8500
            13  C5x C     9.5900  -18.5500
            14  O5x O    10.8024  -17.8500
            15  N1x N     9.5900  -19.9500
            16  C1y C    10.8024  -20.6500
            17  C5x C    12.0149  -19.9500
            18  O5x O    12.0149  -18.5500
            19  N1x N    13.2273  -20.6500
            20  C1y C    14.4397  -19.9500
            21  C5x C    14.4397  -18.5500
            22  O5x O    13.2273  -17.8500
            23  N1x N    15.6522  -17.8500
            24  C1y C    15.6522  -16.4500
            25  C1b C    10.8024  -22.0498
            26  C1b C     7.3976  -13.3000
            27  C8x C     4.7824  -15.7550
            28  C8x C     5.9697  -16.4404
            29  C1b C     7.1821  -18.5404
            30  C8y C     5.9947  -17.8549
            31  C8y C     3.5452  -16.4833
            32  C8x C     3.5702  -17.8978
            33  C8x C     4.7949  -18.5763
            34  C8y C     7.3975  -11.9002
            35  C8x C     8.6267  -11.1902
            36  C8x C     8.6265   -9.7902
            37  C8x C     7.4139   -9.0904
            38  C8x C     6.1847   -9.8004
            39  C8x C     6.1849  -11.2004
            40  C1a C    10.8024  -12.2502
            41  O1a O     2.3290  -15.8020
            42  C8y C     9.5732  -22.7597
            43  C8y C     8.3047  -22.1949
            44  C8y C     7.3756  -23.2268
            45  N4x N     8.0699  -24.4293
            46  C8x C     9.4281  -24.1406
            47  C8x C     7.8721  -20.8635
            48  C8x C     6.5027  -20.5724
            49  C8x C     5.5736  -21.6043
            50  C8x C     6.0062  -22.9358
            51  C1b C    15.6373  -20.6415
            52  C1b C    16.8256  -19.9555
            53  C1b C    18.0164  -20.6431
            54  C1b C    19.2060  -19.9563
            55  N1a N    20.3961  -20.6435
            56  C1c C    16.8853  -15.7378
            57  C1a C    18.0915  -16.4340
            58  C1a C    16.8850  -14.3501
            59  C1b C    13.2273  -12.2500
            60  O5a O    14.4418  -11.5488
            61  C5a C    14.4418  -10.1488
            62  C1b C    13.2293   -9.4488
            63  S2a S    12.0149  -10.1500
            64  C1b C    12.0149  -11.5500
            65  N1b N    15.6373   -9.4584
            66  C1b C    16.8256  -10.1445
            67  C1c C    18.0164   -9.4568
            68  C5a C    19.2061  -10.1437
            69  O5a O    20.3961   -9.4564
            70  N1b N    19.2063  -11.5498
            71  N1a N    18.0164   -8.0502
            72  C1c C    20.3990  -12.2384
            73  C5a C    21.5846  -11.5538
            74  O5a O    22.7769  -12.2422
            75  N1b N    21.5847  -10.1502
            76  C1c C    22.7786   -9.4608
            77  C5a C    22.7787   -8.0503
            78  N1b N    23.9696   -7.3626
            79  O5a O    21.5448   -7.3376
            80  C1c C    25.1544   -8.0466
            81  C5a C    26.3469   -7.3579
            82  N1a N    27.5358   -8.0442
            83  O5a O    26.3470   -5.9503
            84  C1b C    20.3993  -13.6497
            85  C1b C    23.9649  -10.1458
            86  C1b C    25.1546   -9.4498
            87  C1b C    26.3486  -10.1392
            88  C1b C    27.5349   -9.4542
            89  C1b C    28.7268  -10.1424
            90  N1a N    29.9158   -9.4559
            91  S1a S    23.9689  -11.5497
            92  C1b C    21.5898  -14.3370
            93  C1b C    22.7742  -13.6531
            94  C1b C    23.9671  -14.3419
            95  N1a N    25.1557  -13.6556
BOND        99
            1     1   2 1
            2     2   3 2
            3     4   5 2
            4     5   6 1
            5     1   6 1
            6     7   8 2
            7     8   9 1
            8     9  10 1
            9     5  10 1
            10    2  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 2
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 2
            22   21  23 1
            23   23  24 1
            24   24   8 1
            25   16  25 1 #Up
            26    1  26 1 #Down
            27   27  28 2
            28   12  29 1 #Down
            29   29  30 1
            30   30  28 1
            31   27  31 1
            32   31  32 2
            33   32  33 1
            34   30  33 2
            35   26  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   37  38 1
            40   38  39 2
            41   34  39 1
            42    6  40 1
            43   31  41 1
            44   25  42 1
            45   42  43 1
            46   43  44 1
            47   44  45 1
            48   45  46 1
            49   42  46 2
            50   43  47 2
            51   47  48 1
            52   48  49 2
            53   49  50 1
            54   44  50 2
            55   20  51 1 #Down
            56   51  52 1
            57   52  53 1
            58   53  54 1
            59   54  55 1
            60   24  56 1 #Down
            61   56  57 1
            62   56  58 1
            63   10  59 1 #Down
            64   60  61 2
            65   61  62 1
            66   62  63 1
            67   63  64 1
            68   59  64 1
            69   61  65 1
            70   65  66 1
            71   66  67 1
            72   67  68 1
            73   68  69 2
            74   68  70 1
            75   67  71 1 #Down
            76   70  72 1
            77   72  73 1
            78   73  74 2
            79   73  75 1
            80   75  76 1
            81   76  77 1
            82   77  78 1
            83   77  79 2
            84   78  80 1
            85   80  81 1
            86   81  82 1
            87   81  83 2
            88   72  84 1 #Down
            89   76  85 1 #Down
            90   80  86 1 #Down
            91   86  87 1
            92   87  88 1
            93   88  89 1
            94   89  90 1
            95   85  91 1
            96   84  92 1
            97   92  93 1
            98   93  94 1
            99   94  95 1


entry: D03688
name: --- - Deprostil (USAN)
formula: C21H38O4
activity: Antisecretory [gastric]
kcf:
ATOM        25
            1   C1y C    18.9700  -24.9200
            2   C1y C    18.9700  -23.5200
            3   C5x C    17.6385  -23.0874
            4   C1x C    16.8156  -24.2200
            5   C1x C    17.6385  -25.3526
            6   O5x O    17.2097  -21.7678
            7   C1b C    20.1824  -25.6200
            8   C1b C    21.3949  -24.9200
            9   C1d C    22.6073  -25.6200
            10  C1b C    23.8197  -24.9200
            11  C1b C    25.0322  -25.6200
            12  C1b C    26.2446  -24.9200
            13  C1b C    27.4570  -25.6200
            14  C1a C    28.6695  -24.9200
            15  C1b C    20.1824  -22.8200
            16  C1b C    21.3949  -23.5200
            17  C1b C    22.6073  -22.8200
            18  C1b C    23.8197  -23.5200
            19  C1b C    25.0322  -22.8200
            20  C1b C    26.2446  -23.5200
            21  C6a C    27.4570  -22.8200
            22  O6a O    28.6695  -23.5200
            23  O6a O    27.4570  -21.4201
            24  O1a O    23.5973  -26.6099
            25  C1a C    21.6174  -26.6099
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 2
            7     1   7 1 #Up
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    2  15 1 #Down
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   21  23 2
            24    9  24 1
            25    9  25 1


entry: D03689
name: --- - Deracoxib (USAN)
formula: C17H14F3N3O3S
activity: Anti-inflammatory; Analgesic [cyclooxygenase [COX-2] inhibitor]
remark: Therapeutic category: 1149
kcf:
ATOM        27
            1   N4y N    25.6200  -17.5000
            2   C8y C    25.6200  -18.9000
            3   C8x C    26.9500  -19.3200
            4   C8y C    27.7900  -18.2000
            5   N5x N    26.9500  -17.0800
            6   C1c C    29.1900  -18.2000
            7   X   F    29.8900  -19.3900
            8   X   F    29.8900  -17.0100
            9   C8y C    24.5000  -19.7400
            10  C8y C    24.5000  -16.6600
            11  C8y C    22.0500  -15.2600
            12  C8x C    22.0500  -16.6600
            13  C8x C    23.2400  -17.3600
            14  C8x C    24.5000  -15.2600
            15  C8x C    23.2400  -14.5600
            16  C8x C    22.0500  -19.7400
            17  C8y C    22.0500  -21.1400
            18  C8y C    23.2400  -21.8400
            19  C8x C    24.5000  -21.1400
            20  C8x C    23.2400  -19.0400
            21  S4a S    20.8347  -14.5649
            22  N1a N    19.6223  -13.8649
            23  O3c O    21.5347  -13.3525
            24  O3c O    20.1347  -15.7774
            25  X   F    23.2228  -23.2399
            26  O2a O    20.8347  -21.8351
            27  C1a C    19.6463  -21.1423
BOND        29
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     6   8 1
            9     2   9 1
            10    1  10 1
            11   11  12 2
            12   12  13 1
            13   13  10 2
            14   10  14 1
            15   14  15 2
            16   11  15 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19   9 1
            21    9  20 2
            22   16  20 1
            23   11  21 1
            24   21  22 1
            25   21  23 2
            26   21  24 2
            27   18  25 1
            28   17  26 1
            29   26  27 1


entry: D03690
name: --- - Desciclovir (USAN)
formula: C8H11N5O2
activity: Antiviral
remark: Therapeutic category: 6250
kcf:
ATOM        15
            1   N5x N    37.3800  -15.8200
            2   C8y C    37.3800  -17.2200
            3   N5x N    36.1900  -17.9200
            4   C8y C    34.9300  -17.2200
            5   C8y C    34.9300  -15.8200
            6   C8x C    36.1900  -15.1200
            7   N4y N    33.6000  -17.6400
            8   C8x C    32.8300  -16.5200
            9   N5x N    33.6000  -15.4000
            10  N1a N    38.5700  -17.9200
            11  C1b C    33.6000  -19.0400
            12  O2a O    32.3876  -19.7400
            13  C1b C    31.1921  -19.0496
            14  C1b C    30.0047  -19.7351
            15  O1a O    28.8135  -19.0471
BOND        16
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    2  10 1
            12    7  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1


entry: D03691
name: --- - Descinolone acetonide (USAN)
formula: C24H31FO5
activity: Glucocorticoid
remark: Same as: C14653
kcf:
ATOM        30
            1   C2x C     8.0500  -17.7100
            2   C5x C     8.0500  -19.1100
            3   C2x C     9.2624  -19.8100
            4   C2y C    10.4749  -19.1100
            5   C1z C    10.4749  -17.7100
            6   C2x C     9.2624  -17.0100
            7   C1x C    11.6873  -19.8100
            8   C1x C    12.8997  -19.1100
            9   C1y C    12.8997  -17.7100
            10  C1z C    11.6873  -17.0100
            11  C1y C    14.1122  -17.0100
            12  C1z C    14.1122  -15.6100
            13  C1x C    12.8997  -14.9100
            14  C1y C    11.6873  -15.6100
            15  C1x C    15.4437  -17.4426
            16  C1y C    16.2666  -16.3100
            17  C1z C    15.4437  -15.1774
            18  O2x O    17.5981  -15.8774
            19  C1z C    17.5981  -14.4774
            20  O2x O    16.2666  -14.0447
            21  O5x O     6.8376  -19.8100
            22  C1a C    10.4749  -16.3100
            23  O1a O    10.4769  -14.9112
            24  C1a C    14.1122  -14.2100
            25  C5a C    14.6737  -13.4274
            26  O5a O    15.9001  -12.7190
            27  C1a C    13.4864  -12.7420
            28  X   F    11.6873  -18.4100
            29  C1a C    18.7062  -13.6721
            30  C1a C    18.8280  -15.1043
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   16  18 1 #Down
            22   18  19 1
            23   19  20 1
            24   17  20 1 #Down
            25    2  21 2
            26    5  22 1 #Up
            27   14  23 1 #Up
            28   12  24 1 #Up
            29   17  25 1 #Up
            30   25  26 2
            31   25  27 1
            32   10  28 1 #Down
            33   19  29 1
            34   19  30 1


entry: D03693
name: --- - Desloratadine (USAN) - Clarinex (TN)
formula: C19H19ClN2
activity: Treatment of seasonall allergic rhinits [H1 receptor antagonist]
kcf:
ATOM        22
            1   C1x C    15.9600  -18.2700
            2   C8y C    15.1200  -17.1500
            3   C8y C    15.4000  -15.7500
            4   C2y C    16.7300  -15.1900
            5   C1x C    17.3600  -18.2700
            6   C8y C    17.9200  -15.8200
            7   C8y C    18.2700  -17.2200
            8   C8x C    14.4200  -14.8400
            9   C8x C    13.0900  -15.1900
            10  C8y C    12.7400  -16.5900
            11  C8x C    13.7200  -17.5000
            12  C8x C    19.6000  -17.6400
            13  C8x C    20.6500  -16.7300
            14  C8x C    20.3700  -15.3300
            15  N5x N    18.9700  -14.9100
            16  C2y C    16.7300  -13.7900
            17  X   Cl   11.3979  -16.9886
            18  C1x C    17.9424  -13.0900
            19  C1x C    17.9424  -11.6900
            20  N1x N    16.7300  -10.9900
            21  C1x C    15.5176  -11.6900
            22  C1x C    15.5176  -13.0900
BOND        25
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    4  16 2
            19   10  17 1
            20   16  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   16  22 1


entry: D03695
name: --- - Desmoteplase (USAN)
activity:
Treatment of acute myocardial infarction, acute ischemic stroke, pulmonary embolism and hemodialysis


entry: D03696
name: --- - Desonide (USAN) - Desowen (TN)
formula: C24H32O6
activity: Anti-inflammatory
kcf:
ATOM        30
            1   C2x C    16.4492  -16.4343
            2   C5x C    16.4492  -17.8220
            3   C2x C    17.6510  -18.5158
            4   C2y C    18.8528  -17.8220
            5   C1z C    18.8528  -16.4343
            6   C2x C    17.6510  -15.7404
            7   C1x C    20.0545  -18.5158
            8   C1x C    21.2563  -17.8220
            9   C1y C    21.2563  -16.4343
            10  C1y C    20.0545  -15.7404
            11  C1y C    22.4581  -15.7404
            12  C1z C    22.4581  -14.3527
            13  C1x C    21.2563  -13.6589
            14  C1y C    20.0545  -14.3527
            15  C1x C    23.7779  -16.1692
            16  C1y C    24.5936  -15.0466
            17  C1z C    23.7779  -13.9239
            18  O2x O    25.9134  -14.6178
            19  C1z C    25.9134  -13.2301
            20  O2x O    24.5936  -12.8012
            21  O5x O    15.2475  -18.5158
            22  C1a C    18.8528  -15.0466
            23  O1a O    18.8548  -13.6601
            24  C1a C    22.4581  -12.9650
            25  C5a C    23.1547  -12.0493
            26  O5a O    24.3703  -11.3472
            27  C1b C    21.9778  -11.3700
            28  C1a C    27.0117  -12.4319
            29  C1a C    27.1324  -13.8515
            30  O1a O    20.7801  -12.0612
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   16  18 1 #Down
            22   18  19 1
            23   19  20 1
            24   17  20 1 #Down
            25    2  21 2
            26    5  22 1 #Up
            27   14  23 1 #Up
            28   12  24 1 #Up
            29   17  25 1 #Up
            30   25  26 2
            31   25  27 1
            32   19  28 1
            33   19  29 1
            34   27  30 1


entry: D03697
name: --- - Desoximetasone (USP) - Topicort (TN)
formula: C22H29FO4
activity: Anti-inflammatory
kcf:
ATOM        27
            1   C2x C    24.2900  -24.2900
            2   C5x C    24.2900  -25.6900
            3   C2x C    25.5024  -26.3900
            4   C2y C    26.7149  -25.6900
            5   C1z C    26.7149  -24.2900
            6   C2x C    25.5024  -23.5900
            7   C1x C    27.9273  -26.3900
            8   C1x C    29.1397  -25.6900
            9   C1y C    29.1397  -24.2900
            10  C1z C    27.9273  -23.5900
            11  C1y C    30.3522  -23.5900
            12  C1z C    30.3522  -22.1900
            13  C1x C    29.1397  -21.4900
            14  C1y C    27.9273  -22.1900
            15  C1x C    32.7770  -23.5900
            16  C1y C    32.7770  -22.1900
            17  C1y C    31.5646  -21.4900
            18  C1a C    33.9766  -21.4973
            19  C5a C    31.5646  -19.8800
            20  C1a C    30.3522  -20.7900
            21  O1a O    26.7169  -21.4912
            22  C1a C    26.7149  -22.8900
            23  X   F    27.9273  -24.9900
            24  O5x O    23.0776  -26.3900
            25  O5a O    32.7811  -19.1777
            26  C1b C    30.3562  -19.1823
            27  O1a O    29.1627  -19.8716
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   16  18 1 #Down
            22   17  19 1 #Up
            23   12  20 1 #Up
            24   14  21 1 #Up
            25    5  22 1 #Up
            26   10  23 1 #Down
            27    2  24 2
            28   19  25 2
            29   19  26 1
            30   26  27 1


entry: D03698
name: --- - Desoxycorticosterone acetate (USP) - Doca (TN)
formula: C23H32O4
activity: Adrenocortical steroid [selt-regulating]
remark: Same as: C14554
kcf:
ATOM        27
            1   C1x C    24.7068  -17.1717
            2   C5x C    24.7068  -18.5387
            3   C2x C    25.8906  -19.2222
            4   C2y C    27.0745  -18.5387
            5   C1z C    27.0745  -17.1717
            6   C1x C    25.8906  -16.4882
            7   C1x C    28.2584  -19.2222
            8   C1x C    29.4422  -18.5387
            9   C1y C    29.4422  -17.1717
            10  C1y C    28.2584  -16.4882
            11  C1y C    30.6261  -16.4882
            12  C1z C    30.6261  -15.1211
            13  C1x C    29.4422  -14.4376
            14  C1x C    28.2584  -15.1211
            15  C1x C    32.9938  -16.4882
            16  C1x C    32.9938  -15.1211
            17  C1y C    31.8100  -14.4376
            18  C5a C    31.8100  -12.7272
            19  O5a O    32.9978  -12.0415
            20  C1b C    30.6301  -12.0459
            21  O7a O    29.4647  -12.7190
            22  C7a C    28.3044  -12.0491
            23  C1a C    27.1417  -12.7206
            24  O7a O    28.3042  -10.6769
            25  O5x O    23.5229  -19.2222
            26  C1a C    30.6261  -13.7541
            27  C1a C    27.0745  -15.8046
BOND        30
            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   17  18 1 #Up
            22   18  19 2
            23   18  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   22  24 2
            28    2  25 2
            29   12  26 1 #Up
            30    5  27 1 #Up


entry: D03699
name: --- - Desoxycorticosterone pivalate (USP) - Percorten (TN)
formula: C26H38O4
activity: Adrenocortical steroid [selt-regulating]
kcf:
ATOM        30
            1   C1x C    24.7068  -17.1717
            2   C5x C    24.7068  -18.5387
            3   C2x C    25.8906  -19.2222
            4   C2y C    27.0745  -18.5387
            5   C1z C    27.0745  -17.1717
            6   C1x C    25.8906  -16.4882
            7   C1x C    28.2584  -19.2222
            8   C1x C    29.4422  -18.5387
            9   C1y C    29.4422  -17.1717
            10  C1y C    28.2584  -16.4882
            11  C1y C    30.6261  -16.4882
            12  C1z C    30.6261  -15.1211
            13  C1x C    29.4422  -14.4376
            14  C1x C    28.2584  -15.1211
            15  C1x C    32.9938  -16.4882
            16  C1x C    32.9938  -15.1211
            17  C1y C    31.8100  -14.4376
            18  C5a C    31.8100  -12.6572
            19  O5a O    32.9978  -11.9715
            20  C1b C    30.6301  -11.9759
            21  O7a O    29.4647  -12.6490
            22  C7a C    28.3044  -11.9791
            23  C1d C    27.1417  -12.6506
            24  O7a O    28.3042  -10.6069
            25  O5x O    23.5229  -19.2222
            26  C1a C    30.6261  -13.7541
            27  C1a C    27.0745  -15.8046
            28  C1a C    25.9293  -13.3506
            29  C1a C    27.8547  -14.1655
            30  C1a C    26.4547  -11.4606
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   18  19 2
            23   18  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   22  24 2
            28    2  25 2
            29   12  26 1 #Up
            30    5  27 1 #Up
            31   23  28 1
            32   23  29 1
            33   23  30 1


entry: D03700
name: --- - Deterenol hydrochloride (USAN)
formula: C11H17NO2. HCl
activity: Adrenergic [ophthalmic]
kcf:
ATOM        15
            1   C8y C    30.8700  -18.6200
            2   C8x C    30.8700  -20.0200
            3   C8x C    29.6100  -17.9200
            4   C1c C    32.0600  -17.9200
            5   C8x C    29.6100  -20.7200
            6   C8x C    28.4200  -18.6200
            7   C1b C    33.2500  -18.6200
            8   C8y C    28.4200  -20.0200
            9   N1b N    34.5100  -17.9200
            10  O1a O    27.2300  -20.7200
            11  O1a O    32.0600  -16.5200
            12  C1c C    35.7000  -18.6200
            13  C1a C    36.8900  -17.9200
            14  C1a C    35.7000  -20.0200
            15  X   Cl   41.3700  -19.1800
BOND        14
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     7   9 1
            9     8  10 1
            10    6   8 1
            11    4  11 1
            12    9  12 1
            13   12  13 1
            14   12  14 1


entry: D03702
name: --- - Detomidine hydrochloride (USAN)
formula: C12H14N2. HCl
activity: Analgesic [veterinary]; Sedative-hypnotic
kcf:
ATOM        15
            1   C8y C     4.3400  -19.4600
            2   C8x C     4.3400  -20.8600
            3   C8x C     5.5524  -21.5600
            4   C8x C     6.7649  -20.8600
            5   C8y C     6.7649  -19.4600
            6   C8y C     5.5524  -18.7600
            7   C8x C     9.1897  -20.8600
            8   C8y C     9.1897  -19.4600
            9   C1b C     7.9773  -18.7600
            10  N4x N    10.5212  -21.2926
            11  C8x C    11.3441  -20.1600
            12  N5x N    10.5212  -19.0274
            13  C1a C     5.5524  -17.3602
            14  C1a C     3.1276  -18.7600
            15  X   Cl   13.5100  -20.3700
BOND        15
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 2
            13    8  12 1
            14    6  13 1
            15    1  14 1


entry: D03704
name: --- - Dexbrompheniramine maleate (USAN) - Disomer (TN)
formula: C16H19BrN2. C4H4O4
activity: Antihistaminic
kcf:
ATOM        27
            1   C1c C    23.7694  -15.7265
            2   C8y C    24.9776  -16.4152
            3   C1b C    23.7751  -14.3200
            4   C8x C    24.9776  -17.8218
            5   N5x N    26.1856  -15.7089
            6   C1b C    24.9776  -13.6313
            7   C8x C    26.1856  -18.5164
            8   C8x C    27.4054  -16.4152
            9   N1c N    24.9716  -12.2305
            10  C8x C    27.4054  -17.8218
            11  C1a C    23.7577  -11.5243
            12  C1a C    26.1856  -11.5126
            13  C8y C    22.5612  -16.4386
            14  C8x C    21.3414  -15.7439
            15  C8x C    22.5729  -17.8334
            16  C8x C    20.1390  -16.4560
            17  C8x C    21.3647  -18.5398
            18  C8y C    20.1506  -17.8568
            19  X   Br   18.9368  -18.5631
            20  C2b C    33.0025  -14.2030
            21  C2b C    31.3683  -14.2087
            22  C6a C    33.6795  -15.3761
            23  C6a C    30.6913  -15.3878
            24  O6a O    33.0084  -16.5493
            25  O6a O    35.0453  -15.4344
            26  O6a O    29.3314  -15.3878
            27  O6a O    31.3800  -16.5609
BOND        27
            1     1   2 1
            2     1   3 1 #Down
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     6   9 1
            9     7  10 1
            10    9  11 1
            11    9  12 1
            12    8  10 2
            13   13  14 1
            14   13  15 2
            15   14  16 2
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   17  18 2
            20    1  13 1
            21   20  21 2
            22   20  22 1
            23   21  23 1
            24   22  24 1
            25   22  25 2
            26   23  26 1
            27   23  27 2


entry: D03705
name: --- - Sulbactam benzathine (USAN)
formula: (C8H11NO5S)2. C16H20N2
activity: Inhibitor [beta-lactamase]; Synergist [penicillin/cephalosporin]
kcf:
ATOM        48
            1   C8x C    24.1001  -16.9192
            2   C8x C    24.1001  -15.5155
            3   C8x C    25.3634  -14.8137
            4   C8x C    26.5566  -15.5155
            5   C8y C    26.5566  -16.9192
            6   C8x C    25.3634  -17.6211
            7   C1b C    27.7497  -17.6211
            8   N1b N    28.9429  -16.9192
            9   C1b C    30.2062  -17.6211
            10  C1b C    31.3994  -16.9192
            11  N1b N    32.5925  -17.6211
            12  C1b C    33.7856  -16.9192
            13  C8y C    35.0490  -17.6211
            14  C8x C    36.2421  -16.9192
            15  C8x C    37.4353  -17.6211
            16  C8x C    37.4353  -19.0248
            17  C8x C    36.2421  -19.7266
            18  C8x C    35.0490  -19.0248
            19  N1y N    16.8655  -17.1298
            20  C1y C    16.8655  -15.7963
            21  C1y C    18.2692  -17.6211
            22  C5x C    15.5320  -17.1298
            23  S2x S    18.2692  -15.3751
            24  C1x C    15.5320  -15.7963
            25  C1z C    19.0412  -16.4981
            26  C6a C    18.6201  -18.9546
            27  O5x O    14.5494  -18.1826
            28  O3c O    18.2692  -13.7609
            29  O3c O    19.6027  -14.6031
            30  C1a C    20.1642  -15.7963
            31  C1a C    20.0940  -17.2701
            32  O6a O    17.7077  -20.0074
            33  O6a O    19.9536  -19.2353
            34  N1y N    16.8655  -17.1298
            35  C1y C    16.8655  -15.7963
            36  S2x S    18.2692  -15.3751
            37  O3c O    18.2692  -13.7609
            38  O3c O    19.6027  -14.6031
            39  C1z C    19.0412  -16.4981
            40  C1y C    18.2692  -17.6211
            41  C6a C    18.6201  -18.9546
            42  O6a O    17.7077  -20.0074
            43  O6a O    19.9536  -19.2353
            44  C1a C    20.1642  -15.7963
            45  C1a C    20.0940  -17.2701
            46  C1x C    15.5320  -15.7963
            47  C5x C    15.5320  -17.1298
            48  O5x O    14.5494  -18.1826
BOND        51
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   1 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  13 1
            20   19  20 1
            21   19  21 1
            22   19  22 1
            23   20  23 1
            24   20  24 1
            25   21  25 1
            26   21  26 1 #Down
            27   22  27 2
            28   23  28 2
            29   23  29 2
            30   25  30 1
            31   25  31 1
            32   26  32 1
            33   26  33 2
            34   22  24 1
            35   23  25 1
            36   34  35 1
            37   34  40 1
            38   34  47 1
            39   35  36 1
            40   35  46 1
            41   40  39 1
            42   40  41 1 #Down
            43   47  48 2
            44   36  37 2
            45   36  38 2
            46   39  44 1
            47   39  45 1
            48   41  42 1
            49   41  43 2
            50   47  46 1
            51   36  39 1


entry: D03706
name: --- - Sulbactam pivoxil (USAN)
formula: C14H21NO7S
activity: Inhibitor [beta-lactamase]; Synergist [penicillin/cephalosporin]
kcf:
ATOM        23
            1   N1y N    36.5400  -19.5300
            2   C1y C    36.5400  -18.2000
            3   C1y C    37.9400  -20.0200
            4   C5x C    35.2100  -19.5300
            5   S2x S    37.9400  -17.7800
            6   C1x C    35.2100  -18.2000
            7   C1z C    38.7100  -18.9000
            8   C7a C    38.2900  -21.3500
            9   O3c O    37.9400  -16.1700
            10  O3c O    39.2700  -17.0100
            11  C1a C    39.8300  -18.2000
            12  C1a C    39.7600  -19.6700
            13  O7a O    37.3800  -22.4000
            14  O7a O    39.6200  -21.6300
            15  C1b C    36.1676  -21.7000
            16  O7a O    34.9551  -22.4000
            17  C7a C    33.7427  -21.7000
            18  C1d C    32.5303  -22.4000
            19  O5x O    34.6401  -20.5899
            20  O7a O    33.7427  -20.3000
            21  C1a C    31.3327  -21.7085
            22  C1a C    32.5303  -23.8000
            23  C1a C    31.3179  -23.1000
BOND        24
            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 #Down
            8     5   9 2
            9     5  10 2
            10    7  11 1
            11    7  12 1
            12    8  13 1
            13    8  14 2
            14    4   6 1
            15    5   7 1
            16   13  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20    4  19 2
            21   17  20 2
            22   18  21 1
            23   18  22 1
            24   18  23 1


entry: D03707
name: --- - Tazobactam sodium (USAN)
formula: C10H11N4O5S. Na
activity: Inhibitor [beta-lactamase]
remark: Therapeutic category: 6139
comment: Component of Tazocin (TN)
kcf:
ATOM        21
            1   C1z C    34.4400  -18.6200
            2   C1y C    33.6700  -19.7400
            3   S2x S    33.6700  -17.5000
            4   C1b C    35.8400  -18.6200
            5   C1a C    35.5600  -19.7400
            6   N1y N    32.3400  -19.3200
            7   C6a C    34.0900  -21.0700
            8   C1y C    32.3400  -17.9200
            9   O3c O    33.1100  -16.1700
            10  O3c O    34.9300  -16.4500
            11  N4y N    36.5400  -17.4300
            12  C5x C    30.9400  -19.3200
            13  O0  O    33.1100  -22.0500 #-
            14  O6a O    35.4200  -21.3500
            15  C1x C    30.9400  -17.9200
            16  C8x C    37.8700  -17.2900
            17  N5x N    35.9800  -16.1700
            18  O5x O    29.9600  -20.3000
            19  C8x C    38.1500  -15.9600
            20  N5x N    36.9600  -15.2600
            21  Z   Na   30.4500  -21.9800 #+
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 2
            9     3  10 2
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14    8  15 1
            15   11  16 1
            16   11  17 1
            17   12  18 2
            18   16  19 2
            19   17  20 2
            20    6   8 1
            21   12  15 1
            22   19  20 1


entry: D03708
name: --- - Dexamisole (USAN)
formula: C11H12N2S
activity: Antidepressant
remark: Therapeutic category: 1179
kcf:
ATOM        14
            1   C1y C    34.0900  -18.6900
            2   C1x C    33.2500  -17.5700
            3   N2x N    33.2500  -19.8800
            4   N1y N    31.9200  -17.9900
            5   C2y C    31.9200  -19.3900
            6   C1x C    30.5900  -17.5700
            7   S2x S    30.5900  -19.8100
            8   C1x C    29.7500  -18.6900
            9   C8y C    35.4900  -18.6900
            10  C8x C    36.1900  -19.8800
            11  C8x C    37.5900  -19.8800
            12  C8x C    38.2900  -18.6200
            13  C8x C    37.5900  -17.4300
            14  C8x C    36.1900  -17.4300
BOND        16
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     4   5 1
            9     7   8 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16    1   9 1 #Up


entry: D03709
name: --- - Dexclamol hydrochloride (USAN)
formula: C24H29NO. HCl
activity: Sedative-hypnotic
kcf:
ATOM        27
            1   C1x C    16.7752  -18.2473
            2   C8y C    15.9308  -17.1347
            3   C8y C    16.2669  -15.7742
            4   C1y C    17.5314  -15.1945
            5   C1x C    18.1848  -18.2726
            6   C8y C    18.7883  -15.8185
            7   C8y C    19.0756  -17.1910
            8   C8x C    15.2570  -14.8031
            9   C8x C    13.9114  -15.1923
            10  C8x C    13.5753  -16.5528
            11  C8x C    14.5851  -17.5236
            12  C8x C    20.4104  -17.6293
            13  C8x C    21.4575  -16.6923
            14  C8x C    21.1704  -15.3198
            15  C8y C    19.8353  -14.8815
            16  C1x C    17.4831  -13.8158
            17  N1y N    18.7104  -13.1328
            18  C1y C    19.8120  -13.8342
            19  C1x C    21.0537  -13.1874
            20  C1z C    21.0444  -11.7887
            21  C1x C    19.9428  -11.0873
            22  C1x C    18.7011  -11.7341
            23  C1c C    22.3014  -11.0939
            24  O1a O    22.0343  -12.7787
            25  C1a C    23.5059  -11.8197
            26  C1a C    22.3274   -9.6600
            27  X   Cl   24.4326  -15.8529
BOND        30
            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 1
            19   16  17 1
            20   17  18 1
            21   15  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   17  22 1
            27   20  23 1 #Down
            28   20  24 1 #Up
            29   23  25 1
            30   23  26 1


entry: D03710
name: --- - Etoricoxib (USAN)
formula: C18H15ClN2O2S
remark: Same as: C11718
activity:
Anti-inflammatory; Analgesic used in the treatment of osteoarthritis and rheumatoid arthritis [cyclooxygenase [COX-2] inhibitor]

kcf:
ATOM        24
            1   C8y C    34.0368  -17.8232
            2   C8y C    31.5907  -16.4254
            3   C8x C    31.5907  -17.8232
            4   C8x C    32.7788  -18.5221
            5   C8x C    34.0368  -16.4254
            6   C8x C    32.7788  -15.7265
            7   S4a S    30.4025  -15.7265
            8   C1a C    29.1445  -15.0276
            9   O3c O    31.1014  -14.5384
            10  O3c O    29.7036  -16.9146
            11  C8y C    35.2415  -18.5321
            12  C8y C    35.2299  -19.9199
            13  N5x N    36.4346  -20.6289
            14  C8x C    37.6509  -19.9400
            15  C8y C    37.6625  -18.5522
            16  C8x C    36.4578  -17.8433
            17  C8y C    34.0098  -20.6108
            18  C8x C    32.8288  -19.9156
            19  C8x C    31.5424  -20.6043
            20  C8y C    31.6006  -22.0020
            21  N5x N    32.7817  -22.6972
            22  C8x C    33.9979  -22.0086
            23  C1a C    30.3705  -22.6984
            24  X   Cl   38.8982  -17.8528
BOND        26
            1     2   3 2
            2     3   4 1
            3     4   1 2
            4     1   5 1
            5     5   6 2
            6     2   6 1
            7     2   7 1
            8     7   8 1
            9     7   9 2
            10    7  10 2
            11    1  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   12  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   20  23 1
            26   15  24 1


entry: D03711
name: --- - Dexetimide (USAN)
formula: C23H26N2O2
activity: Anticholinergic
kcf:
ATOM        27
            1   C1z C    34.9300  -16.6600
            2   C1x C    34.9300  -17.9900
            3   C1x C    36.0500  -18.6900
            4   C5x C    37.2400  -17.9900
            5   N1x N    37.2400  -16.6600
            6   C5x C    36.0500  -15.9600
            7   O5x O    36.0500  -14.6300
            8   O5x O    38.4300  -18.6900
            9   C8y C    32.7600  -17.9900
            10  C8x C    30.3100  -17.9900
            11  C8x C    30.3100  -19.3900
            12  C8x C    31.5000  -20.0900
            13  C8x C    32.7600  -19.3900
            14  C8x C    31.5000  -17.2900
            15  C1y C    33.7400  -15.9600
            16  C1x C    33.7400  -14.6300
            17  C1x C    32.5500  -13.9300
            18  N1y N    31.4300  -14.6300
            19  C1x C    31.4300  -15.9600
            20  C1x C    32.5500  -16.6600
            21  C1b C    30.2400  -13.9300
            22  C8y C    29.0500  -14.6300
            23  C8x C    27.9300  -13.9300
            24  C8x C    26.7400  -14.6300
            25  C8x C    26.7400  -15.9600
            26  C8x C    27.8600  -16.6600
            27  C8x C    29.0500  -15.9600
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     4   8 2
            9    10  11 2
            10   11  12 1
            11   12  13 2
            12   13   9 1
            13    9  14 2
            14   10  14 1
            15    1   9 1 #Down
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   15  20 1
            22   18  21 1
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30    1  15 1 #Up


entry: D03712
name: --- - Firocoxib (USAN) - Equioxx (TN)
formula: C17H20O5S
activity: Treatment of pain inflammation and fever
kcf:
ATOM        23
            1   C8y C    29.1200  -18.2000
            2   C8y C    26.6700  -16.8000
            3   C8x C    26.6700  -18.2000
            4   C8x C    27.8600  -18.9000
            5   C8x C    29.1200  -16.8000
            6   C8x C    27.8600  -16.1000
            7   S4a S    25.4800  -16.1000
            8   C1a C    24.2200  -15.4000
            9   O3c O    26.1800  -14.9100
            10  O3c O    24.7800  -17.2900
            11  C2y C    30.3100  -18.9000
            12  C2y C    30.3100  -20.3000
            13  C7x C    31.6400  -20.7200
            14  O7x O    32.4800  -19.6000
            15  C1z C    31.6400  -18.4800
            16  O2a O    29.1808  -21.1276
            17  C1b C    27.9118  -20.5689
            18  C1y C    26.7894  -21.3918
            19  C1a C    32.8524  -17.7800
            20  C1a C    30.9400  -17.2676
            21  O7x O    32.0680  -22.0530
            22  C1x C    25.4371  -21.7541
            23  C1x C    26.4270  -22.7441
BOND        25
            1     2   3 2
            2     3   4 1
            3     4   1 2
            4     1   5 1
            5     5   6 2
            6     2   6 1
            7     2   7 1
            8     7   8 1
            9     7   9 2
            10    7  10 2
            11    1  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   11  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   15  19 1
            21   15  20 1
            22   13  21 2
            23   18  22 1
            24   18  23 1
            25   22  23 1


entry: D03713
name: --- - Dexfenfluramine hydrochloride (USAN) - Redux (TN)
formula: C12H16F3N. HCl
activity: Appetite suppressant [systemic]
kcf:
ATOM        17
            1   C1b C    24.8305  -17.0573
            2   C1c C    23.6003  -16.3468
            3   N1b N    22.3906  -17.0449
            4   C8y C    26.0693  -16.3422
            5   C8x C    27.2657  -17.0332
            6   C8y C    28.4754  -16.3351
            7   C8x C    28.4757  -14.9384
            8   C8x C    27.2792  -14.2474
            9   C8x C    26.0696  -14.9455
            10  C1d C    29.7034  -17.0444
            11  X   F    30.9130  -17.7427
            12  X   F    30.4018  -15.8349
            13  X   F    29.0051  -18.2540
            14  C1a C    23.6003  -14.9800
            15  C1b C    21.1705  -16.3404
            16  C1a C    19.9491  -17.0460
            17  X   Cl   33.6700  -16.6600
BOND        16
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     4   9 1
            10    6  10 1
            11   10  11 1
            12   10  12 1
            13   10  13 1
            14    2  14 1 #Up
            15    3  15 1
            16   15  16 1


entry: D03714
name: --- - Lumiracoxib (USAN)
formula: C15H13ClFNO2
activity: Treatment of rheumatoid arthritis, osteoarthritis, and pain prevention
kcf:
ATOM        20
            1   C8y C    35.8735  -17.2402
            2   C8x C    35.8735  -18.6415
            3   C8y C    34.6824  -19.3422
            4   C8y C    33.4212  -18.6415
            5   C8x C    33.4212  -17.2402
            6   C8x C    34.6824  -16.5395
            7   N1b N    32.2300  -19.3422
            8   C8y C    31.0389  -18.6415
            9   C8y C    29.8477  -19.3422
            10  C8x C    28.5865  -18.6415
            11  C8x C    28.5865  -17.2402
            12  C8x C    29.7777  -16.5395
            13  C8y C    31.0389  -17.2402
            14  X   F    29.8477  -20.7436
            15  X   Cl   32.2300  -16.5395
            16  C1a C    37.0900  -16.5444
            17  C1b C    34.6824  -20.7422
            18  C6a C    35.8611  -21.4224
            19  O6a O    35.8611  -22.8224
            20  O6a O    37.0585  -20.7307
BOND        21
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    9  14 1
            16   13  15 1
            17    1  16 1
            18    3  17 1
            19   17  18 1
            20   18  19 1
            21   18  20 2


entry: D03715
name: --- - Dexibuprofen (USAN)
formula: C13H18O2
activity: Analgesic; Anti-inflammatory
kcf:
ATOM        15
            1   O6a O    24.1866  -16.6775
            2   C6a C    22.9742  -17.3783
            3   C1c C    21.7610  -16.6787
            4   O6a O    22.9748  -18.7787
            5   C8y C    20.5487  -17.3795
            6   C8x C    19.3412  -16.6771
            7   C8x C    18.1289  -17.3780
            8   C8y C    18.1295  -18.7784
            9   C8x C    19.3427  -19.4779
            10  C8x C    20.5550  -18.7770
            11  C1b C    16.9171  -19.4791
            12  C1c C    15.7039  -18.7796
            13  C1a C    14.4916  -19.4804
            14  C1a C    15.7032  -17.3792
            15  C1a C    21.7601  -15.2600
BOND        15
            1     2   4 2
            2     3   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10   5 1
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12   12  13 1
            13    2   3 1
            14   12  14 1
            15    3  15 1 #Down


entry: D03716
name: --- - Parecoxib (USAN)
formula: C19H18N2O4S
activity: Anti-inflammatory; Analgesic [cyclooxygenase (COX)-2 inhibitor]
kcf:
ATOM        26
            1   C8y C    36.2600  -19.7400
            2   C8y C    36.2600  -21.1400
            3   N5x N    37.5900  -21.5600
            4   O2x O    38.4300  -20.4400
            5   C8y C    37.5900  -19.3200
            6   C8y C    35.1400  -18.9000
            7   C8y C    32.6900  -17.5000
            8   C8x C    32.6900  -18.9000
            9   C8x C    33.8800  -19.6000
            10  C8x C    35.1400  -17.5000
            11  C8x C    33.8800  -16.8000
            12  S4a S    31.5000  -16.8000
            13  N1b N    30.2400  -16.1000
            14  O3c O    32.2000  -15.6100
            15  O3c O    30.8000  -17.9900
            16  C5a C    29.0500  -16.8000
            17  C1b C    27.8600  -16.1000
            18  C1a C    26.6700  -16.8000
            19  O5a O    29.0500  -18.2000
            20  C8y C    35.1400  -21.9800
            21  C8x C    32.6900  -21.9800
            22  C8x C    32.6900  -23.3800
            23  C8x C    33.8800  -24.0800
            24  C8x C    35.1400  -23.3800
            25  C8x C    33.8800  -21.2800
            26  C1a C    38.0180  -17.9870
BOND        28
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     9   6 2
            10    6  10 1
            11   10  11 2
            12    7  11 1
            13    7  12 1
            14   12  13 1
            15   12  14 2
            16   12  15 2
            17   13  16 1
            18   16  17 1
            19   17  18 1
            20   16  19 2
            21    2  20 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  20 1
            26   20  25 2
            27   21  25 1
            28    5  26 1


entry: D03717
name: --- - Parecoxib sodium (USAN)
formula: C19H17N2O4S. Na
activity: Anti-inflammatory; Analgesic [cyclooxygenase (COX)-2 inhibitor]
kcf:
ATOM        27
            1   C8y C    37.7300  -18.5500
            2   C8y C    37.7300  -19.9500
            3   N5x N    39.0600  -20.3700
            4   O2x O    39.9000  -19.2500
            5   C8y C    39.0600  -18.1300
            6   C8y C    36.6100  -17.7100
            7   C8y C    34.1600  -16.3100
            8   C8x C    34.1600  -17.7100
            9   C8x C    35.3500  -18.4100
            10  C8x C    36.6100  -16.3100
            11  C8x C    35.3500  -15.6100
            12  S4a S    32.9700  -15.6100
            13  N0  N    31.7100  -14.9100 #-
            14  O3c O    33.6700  -14.4200
            15  O3c O    32.2700  -16.8000
            16  C5a C    30.5200  -15.6100
            17  C1b C    29.3300  -14.9100
            18  C1a C    28.1400  -15.6100
            19  O5a O    30.5200  -17.0100
            20  C8y C    36.6100  -20.7900
            21  C8x C    34.1600  -20.7900
            22  C8x C    34.1600  -22.1900
            23  C8x C    35.3500  -22.8900
            24  C8x C    36.6100  -22.1900
            25  C8x C    35.3500  -20.0900
            26  C1a C    39.4800  -16.8000
            27  Z   Na   31.5000  -12.7400 #+
BOND        28
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     9   6 2
            10    6  10 1
            11   10  11 2
            12    7  11 1
            13    7  12 1
            14   12  13 1
            15   12  14 2
            16   12  15 2
            17   13  16 1
            18   16  17 1
            19   17  18 1
            20   16  19 2
            21    2  20 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  20 1
            26   20  25 2
            27   21  25 1
            28    5  26 1


entry: D03718
name: --- - Dexibuprofen lysine (USAN) - Doctrin (TN)
formula: C13H18O2. C6H14N2O2. H2O
activity: Analgesic [cyclooxygenase inhibitor]; Anti-inflammatory
kcf:
ATOM        26
            1   O6a O    25.3565  -14.1437
            2   C6a C    24.1451  -14.8439
            3   C1c C    22.9328  -14.1449
            4   O6a O    24.1457  -16.2431
            5   C8y C    21.7215  -14.8451
            6   C8x C    20.5150  -14.1433
            7   C8x C    19.3038  -14.8436
            8   C8y C    19.3044  -16.2428
            9   C8x C    20.5165  -16.9417
            10  C8x C    21.7278  -16.2414
            11  C1b C    18.0930  -16.9429
            12  C1c C    16.8808  -16.2440
            13  C1a C    15.6695  -16.9442
            14  C1a C    16.8801  -14.8448
            15  C1a C    22.9319  -12.7274
            16  C1c C    30.1454  -15.2963
            17  C1b C    31.3606  -14.6185
            18  C6a C    28.9944  -14.5484
            19  N1a N    30.1863  -16.7043
            20  C1b C    32.5701  -15.3314
            21  O6a O    27.7674  -15.2321
            22  O6a O    28.9943  -13.1460
            23  C1b C    33.7973  -14.6476
            24  C1b C    35.0068  -15.3665
            25  N1a N    36.2337  -14.6827
            26  O0  O    36.4001  -17.6401
BOND        24
            1     2   4 2
            2     3   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10   5 1
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12   12  13 1
            13    2   3 1
            14   12  14 1
            15    3  15 1 #Down
            16   16  17 1
            17   16  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   18  21 1
            21   18  22 2
            22   20  23 1
            23   23  24 1
            24   24  25 1


entry: D03719
name: --- - Dexivacaine (USAN)
formula: C15H22N2O
activity: Anesthetic
kcf:
ATOM        18
            1   C1y C    23.6098  -17.4130
            2   N1y N    23.5982  -18.8378
            3   C1x C    24.8421  -16.7121
            4   C1x C    24.8245  -19.5562
            5   C1a C    22.3776  -19.5212
            6   C1x C    26.0685  -17.4304
            7   C1x C    26.0568  -18.8495
            8   C8y C    19.9247  -16.7005
            9   N1b N    21.1570  -17.4130
            10  C8y C    18.6983  -17.4187
            11  C8y C    19.9247  -15.2812
            12  C5a C    22.3833  -16.6945
            13  C8x C    17.4718  -16.7005
            14  C1a C    18.7041  -18.8320
            15  C8x C    18.6983  -14.5746
            16  C1a C    21.1453  -14.5746
            17  O5a O    22.3716  -15.6199
            18  C8x C    17.4718  -15.2812
BOND        19
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     6   7 1
            8     8   9 1
            9     8  10 2
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 1
            14   11  15 2
            15   11  16 1
            16   12  17 2
            17   13  18 2
            18   15  18 1
            19    1  12 1 #Down


entry: D03720
name: --- - Tipifarnib (USAN)
formula: C27H22Cl2N4O
activity: Treatment of advanced pancreatic cancer, colorectal cancer, and nonsmall cell lung cancer
kcf:
ATOM        34
            1   C8x C    34.0302  -16.5229
            2   C8y C    34.0302  -17.9291
            3   C8x C    35.2254  -18.6322
            4   C8y C    36.4910  -17.9291
            5   C8y C    36.4910  -16.5229
            6   C8x C    35.2254  -15.8198
            7   C8y C    37.6862  -18.6322
            8   C8x C    38.8815  -17.9291
            9   C8y C    38.8815  -16.5229
            10  N4y N    37.6862  -15.8198
            11  C1d C    32.8349  -18.6322
            12  C8y C    37.6862  -20.0384
            13  C8x C    36.4910  -20.7415
            14  C8x C    36.4910  -22.1476
            15  C8x C    37.6862  -22.8507
            16  C8y C    38.8815  -22.1476
            17  C8x C    38.8815  -20.7415
            18  X   Cl   40.0767  -22.8507
            19  O5x O    40.0767  -15.8198
            20  C1a C    37.6862  -14.4137
            21  C8y C    31.6079  -17.9371
            22  C8x C    31.6659  -16.5207
            23  C8x C    30.3776  -15.8309
            24  C8y C    29.1711  -16.5412
            25  C8x C    29.1831  -17.9575
            26  C8x C    30.4014  -18.6473
            27  X   Cl   27.9583  -15.8544
            28  C8y C    32.8349  -20.0322
            29  N4y N    31.7049  -20.8532
            30  C8x C    32.1365  -22.1816
            31  N5x N    33.5333  -22.1816
            32  C8x C    33.9649  -20.8532
            33  C1a C    30.3801  -20.4227
            34  N1a N    31.6225  -19.3322
BOND        38
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    2  11 1
            13    7  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   16  18 1
            21    9  19 2
            22   10  20 1
            23   11  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   24  27 1
            31   11  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   28  32 2
            37   29  33 1
            38   11  34 1 #Down


entry: D03721
name: --- - Dexmethylphenidate hydrochloride (USAN) - Focalin (TN)
formula: C14H19NO2. HCl
activity: Treatment of attention deficit/ hyperactivity disorder (ADHD)
kcf:
ATOM        18
            1   C1c C    32.6431  -17.9493
            2   C1y C    31.4433  -17.2330
            3   C7a C    33.8664  -17.2563
            4   C1x C    30.2259  -17.9203
            5   N1x N    31.4607  -15.8350
            6   O7a O    33.8838  -15.8583
            7   O7a O    35.0721  -17.9726
            8   C1x C    29.0202  -17.2096
            9   C1x C    30.2549  -15.1185
            10  C1a C    35.1012  -15.1710
            11  C1x C    29.0318  -15.8058
            12  C8y C    32.6314  -19.3473
            13  C8x C    31.4140  -20.0346
            14  C8x C    33.8372  -20.0579
            15  C8x C    31.4024  -21.4383
            16  C8x C    33.8198  -21.4559
            17  C8x C    32.5965  -22.1489
            18  X   Cl   39.0873  -18.1277
BOND        18
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11    9  11 1
            12   12  13 2
            13   12  14 1
            14   13  15 1
            15   14  16 2
            16   15  17 2
            17   16  17 1
            18    1  12 1 #Down


entry: D03722
name: --- - Efegatran sulfate (USAN)
formula: C21H32N6O3. H2SO4
activity: Antithrombotic
kcf:
ATOM        35
            1   C1y C    27.8475  -14.6651
            2   N1y N    29.2502  -14.6651
            3   C5a C    26.6552  -13.9638
            4   N1b N    25.4629  -14.6651
            5   O5a O    26.6552  -12.5611
            6   C5a C    30.5126  -13.9638
            7   C1c C    31.7048  -14.6651
            8   N1b N    32.8971  -13.9638
            9   O5a O    30.5126  -12.5611
            10  C1b C    31.7048  -16.0678
            11  C1a C    34.1176  -14.6552
            12  C8y C    32.9196  -16.7691
            13  C8x C    32.9196  -18.1716
            14  C8x C    34.1344  -18.8729
            15  C8x C    35.3491  -18.1716
            16  C8x C    35.3491  -16.7691
            17  C8x C    34.1344  -16.0678
            18  C1c C    24.2425  -13.9737
            19  C1b C    23.0588  -14.6701
            20  C4a C    24.2309  -12.5617
            21  O4a O    25.4499  -11.9233
            22  C1b C    21.8636  -13.9638
            23  C1b C    20.6488  -14.6651
            24  N1b N    19.4341  -13.9638
            25  C2c C    18.2194  -14.6651
            26  N1a N    17.0046  -13.9638
            27  N2a N    18.2194  -16.0677
            28  C1x C    27.4141  -15.9992
            29  C1x C    28.5488  -16.8236
            30  C1x C    29.6836  -15.9992
            31  O1d O    37.1116  -16.0667
            32  S4a S    38.5143  -16.0667
            33  O3c O    38.5143  -17.4694
            34  O3c O    38.5143  -14.6640
            35  O1d O    39.9170  -16.0667
BOND        35
            1     1   2 1
            2     1   3 1 #Up
            3     3   4 1
            4     3   5 2
            5     2   6 1
            6     6   7 1
            7     7   8 1 #Down
            8     6   9 2
            9     7  10 1
            10    8  11 1
            11   10  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   12  17 1
            18    4  18 1
            19   18  19 1
            20   18  20 1
            21   20  21 2
            22   19  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   25  27 2
            28    1  28 1
            29   28  29 1
            30   29  30 1
            31    2  30 1
            32   31  32 1
            33   32  33 2
            34   32  34 2
            35   32  35 1


entry: D03724
name: --- - Dexoxadrol hydrochloride (USAN)
formula: C20H23NO2. HCl
activity: Stimulant [central]; Analgesic
kcf:
ATOM        24
            1   C8x C    18.9000  -22.8900
            2   C8x C    18.9000  -24.2900
            3   C8x C    17.7100  -24.9900
            4   C8x C    16.4500  -24.2900
            5   C8y C    16.4500  -22.8900
            6   C8x C    17.7100  -22.1900
            7   C8x C    14.0700  -24.2900
            8   C8y C    14.0700  -22.8900
            9   C1z C    15.2600  -22.1900
            10  C8x C    12.8100  -24.9900
            11  C8x C    11.6200  -24.2900
            12  C8x C    11.6200  -22.8900
            13  C8x C    12.8100  -22.1900
            14  O2x O    14.1400  -21.3500
            15  C1x C    14.5600  -20.0200
            16  C1y C    15.9600  -20.0200
            17  O2x O    16.3800  -21.3500
            18  C1y C    16.8000  -18.9000
            19  C1x C    18.2000  -18.9000
            20  N1x N    16.1000  -17.7100
            21  C1x C    16.8000  -16.5200
            22  C1x C    18.2000  -16.5200
            23  C1x C    18.9000  -17.7100
            24  X   Cl   20.7200  -21.2800
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     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   16  18 1
            21   18  19 1
            22   18  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   19  23 1


entry: D03725
name: --- - Hydrocodone bitartrate (USP) - Dicodid (TN)
formula: (C18H21NO3)2. (C4H6O6)2. 5H2O
activity: Antitussive
remark: Therapeutic category: 2229
comment: Component of Vicodin (TN), Vicorofen (TN)
kcf:
ATOM        69
            1   C1z C    25.7578  -16.0286
            2   C8y C    25.7578  -14.6988
            3   C1y C    26.9476  -16.7286
            4   C1y C    24.6379  -16.6586
            5   C1x C    26.9476  -15.3987
            6   C8y C    24.6379  -14.0688
            7   C8y C    26.9476  -14.0688
            8   C1y C    28.0675  -16.0286
            9   C1x C    26.9476  -17.9885
            10  O2x O    23.3780  -15.3287
            11  C5x C    24.6379  -17.9885
            12  C1x C    29.1874  -15.3987
            13  C8y C    24.6379  -12.7389
            14  C1x C    28.0675  -14.7688
            15  C8x C    26.9476  -12.7389
            16  N1y N    29.1874  -16.7286
            17  C1x C    25.7578  -18.6884
            18  O5x O    23.5880  -18.6884
            19  C8x C    25.8277  -12.1090
            20  O2a O    23.5880  -12.1090
            21  C1a C    22.3981  -12.7389
            22  C1a C    30.5873  -16.7286
            23  O6a O    34.5301  -13.5792
            24  C6a C    35.7425  -14.2791
            25  C1c C    36.9549  -13.5792
            26  C1c C    38.1672  -14.2791
            27  C6a C    39.3797  -13.5792
            28  O6a O    40.5920  -14.2791
            29  O6a O    35.7425  -15.6789
            30  O1a O    36.9549  -12.1792
            31  O1a O    38.1672  -15.6790
            32  O6a O    39.3797  -12.1795
            33  O0  O    38.2200  -18.0600
            34  C1z C    25.7578  -16.0286
            35  C8y C    25.7578  -14.6988
            36  C8y C    24.6379  -14.0688
            37  C8y C    24.6379  -12.7389
            38  C8x C    25.8277  -12.1090
            39  C8x C    26.9476  -12.7389
            40  C8y C    26.9476  -14.0688
            41  C1x C    28.0675  -14.7688
            42  C1y C    28.0675  -16.0286
            43  C1y C    26.9476  -16.7286
            44  C1x C    26.9476  -17.9885
            45  C1x C    25.7578  -18.6884
            46  C5x C    24.6379  -17.9885
            47  C1y C    24.6379  -16.6586
            48  O2x O    23.3780  -15.3287
            49  O5x O    23.5880  -18.6884
            50  N1y N    29.1874  -16.7286
            51  C1x C    29.1874  -15.3987
            52  C1x C    26.9476  -15.3987
            53  C1a C    30.5873  -16.7286
            54  O2a O    23.5880  -12.1090
            55  C1a C    22.3981  -12.7389
            56  O6a O    34.5301  -13.5792
            57  C6a C    35.7425  -14.2791
            58  C1c C    36.9549  -13.5792
            59  C1c C    38.1672  -14.2791
            60  C6a C    39.3797  -13.5792
            61  O6a O    40.5920  -14.2791
            62  O6a O    39.3797  -12.1795
            63  O1a O    38.1672  -15.6790
            64  O1a O    36.9549  -12.1792
            65  O6a O    35.7425  -15.6789
            66  O0  O    38.2200  -18.0600
            67  O0  O    38.2200  -18.0600
            68  O0  O    38.2200  -18.0600
            69  O0  O    38.2200  -18.0600
BOND        70
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 2
            18   13  19 2
            19   13  20 1
            20   20  21 1
            21    6  10 1
            22    8  14 1
            23   11  17 1
            24   12  16 1
            25   15  19 1
            26   16  22 1
            27   34  35 1
            28   34  43 1
            29   34  47 1
            30   34  52 1 #Up
            31   35  36 2
            32   35  40 1
            33   43  42 1
            34   43  44 1
            35   47  48 1 #Down
            36   47  46 1
            37   52  51 1
            38   36  37 1
            39   40  41 1
            40   40  39 2
            41   42  50 1 #Up
            42   44  45 1
            43   46  49 2
            44   37  38 2
            45   37  54 1
            46   54  55 1
            47   36  48 1
            48   42  41 1
            49   46  45 1
            50   51  50 1
            51   39  38 1
            52   50  53 1
            53   23  24 1
            54   24  25 1
            55   25  26 1
            56   26  27 1
            57   27  28 1
            58   24  29 2
            59   25  30 1 #Down
            60   26  31 1 #Down
            61   27  32 2
            62   56  57 1
            63   57  58 1
            64   58  59 1
            65   59  60 1
            66   60  61 1
            67   57  65 2
            68   58  64 1 #Down
            69   59  63 1 #Down
            70   60  62 2


entry: D03726
name: --- - Panthenol (USP)
formula: C9H19NO4
activity: Vitamin
remark: Therapeutic category: 3133
comment: Component of Zentinic (TN)
kcf:
ATOM        14
            1   C1c C    23.2400  -19.8100
            2   C5a C    24.4300  -20.5100
            3   C1d C    22.0500  -20.4400
            4   N1b N    25.6900  -19.8100
            5   O5a O    24.4300  -21.9100
            6   C1b C    20.8600  -19.7400
            7   C1b C    26.8800  -20.5100
            8   C1b C    28.0700  -19.8100
            9   C1b C    29.3300  -20.5100
            10  O1a O    23.2400  -18.4100
            11  O1a O    19.6447  -20.4351
            12  O1a O    30.5366  -19.8000
            13  C1a C    21.0601  -21.4299
            14  C1a C    23.0399  -21.4299
BOND        13
            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     8   9 1
            9     1  10 1
            10    6  11 1
            11    9  12 1
            12    3  13 1
            13    3  14 1


entry: D03727
name: --- - Dexpemedolac (USAN)
formula: C22H23NO3
activity: Analgesic
kcf:
ATOM        26
            1   O2x O    18.4100  -21.9800
            2   C1x C    18.4100  -23.3800
            3   C1y C    19.6000  -24.0800
            4   C8y C    20.8600  -23.3800
            5   C8y C    20.8600  -21.9800
            6   C1z C    19.6000  -21.2800
            7   C8y C    22.1900  -23.8000
            8   C8y C    22.9600  -22.6800
            9   N4x N    22.1900  -21.5600
            10  C8x C    24.3600  -22.6800
            11  C8x C    25.0600  -23.8700
            12  C8x C    24.3600  -25.0600
            13  C8x C    22.9600  -25.0600
            14  C1b C    19.5828  -25.4799
            15  C8y C    18.3749  -26.1576
            16  C8x C    17.1558  -25.4332
            17  C8x C    15.8647  -26.1179
            18  C8x C    15.9170  -27.5178
            19  C8x C    17.1362  -28.2422
            20  C8x C    18.3573  -27.5575
            21  C1b C    20.8124  -20.5800
            22  C1a C    20.8124  -19.1800
            23  C1b C    18.3876  -20.5800
            24  C6a C    17.1921  -21.2704
            25  O6a O    16.0047  -20.5849
            26  O6a O    17.1920  -22.6797
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13   7 2
            16    3  14 1 #Up
            17   14  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   15  20 1
            24    6  21 1 #Down
            25   21  22 1
            26    6  23 1 #Up
            27   23  24 1
            28   24  25 1
            29   24  26 2


entry: D03728
name: --- - Napsagatran (USAN)
formula: C26H34N6O6S. H2O
activity: Antithrombotic
kcf:
ATOM        40
            1   C1y C    38.8917  -20.7435
            2   C1x C    38.8917  -22.1449
            3   C1x C    40.0829  -22.8457
            4   C1x C    41.3442  -22.1449
            5   N1y N    41.3442  -20.7435
            6   C1x C    40.0829  -20.0427
            7   C2c C    42.5355  -20.0427
            8   N1a N    43.7267  -20.7435
            9   N2a N    42.5355  -18.6413
            10  C1b C    37.7004  -20.0427
            11  N1b N    36.4391  -20.7435
            12  C5a C    35.2479  -20.0427
            13  C1b C    34.0566  -20.7435
            14  C1c C    32.7953  -20.0427
            15  O5a O    35.2479  -18.6413
            16  N1b N    31.6041  -20.7435
            17  S4a S    30.3428  -20.0427
            18  C8y C    29.1515  -20.8135
            19  C8x C    27.9603  -20.1128
            20  C8y C    26.7690  -20.8135
            21  C8y C    26.7690  -22.2150
            22  C8x C    27.9603  -22.9157
            23  C8x C    29.1515  -22.2150
            24  C8x C    25.5077  -20.1128
            25  C8x C    24.3165  -20.8135
            26  C8x C    24.3165  -22.2150
            27  C8x C    25.5077  -22.9157
            28  C5a C    32.7953  -18.6413
            29  O5a O    33.9866  -17.9405
            30  N1c N    31.6041  -17.9405
            31  C1b C    31.6041  -16.5391
            32  C1y C    30.2026  -17.9405
            33  C1x C    29.0114  -17.2398
            34  C1x C    29.0114  -18.6413
            35  C6a C    30.3904  -15.8384
            36  O6a O    30.3904  -14.4369
            37  O6a O    29.1937  -16.5295
            38  O3c O    31.5564  -19.3420
            39  O3c O    29.1291  -19.3420
            40  O0  O    49.2100  -20.7200
BOND        42
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     7   9 2
            10    1  10 1 #Up
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   12  15 2
            16   14  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25   20  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   21  27 1
            30   14  28 1 #Down
            31   28  29 2
            32   28  30 1
            33   30  31 1
            34   30  32 1
            35   33  34 1
            36   34  32 1
            37   33  32 1
            38   31  35 1
            39   35  36 1
            40   35  37 2
            41   17  38 2
            42   17  39 2


entry: D03729
name: --- - Dexpropranolol hydrochloride (USAN)
formula: C16H21NO2. HCl
activity: Cardiac depressant [anti-arrhythmic]; Anti-adrenergic [beta-receptor]
kcf:
ATOM        20
            1   C8x C    19.9417  -19.4715
            2   C8x C    19.9417  -20.8791
            3   C8x C    21.1607  -21.5830
            4   C8y C    22.3798  -20.8791
            5   C8y C    22.3798  -19.4715
            6   C8x C    21.1607  -18.7676
            7   C8x C    23.5988  -21.5830
            8   C8x C    24.8179  -20.8791
            9   C8x C    24.8179  -19.4715
            10  C8y C    23.5988  -18.7676
            11  O2a O    23.5988  -17.3600
            12  C1b C    24.8200  -16.6550
            13  C1c C    26.0231  -17.3498
            14  C1b C    27.2163  -16.6608
            15  N1b N    28.4143  -17.3528
            16  C1c C    29.6102  -16.6623
            17  C1a C    30.8069  -17.3535
            18  C1a C    29.6104  -15.2487
            19  O1a O    26.0228  -18.7210
            20  X   Cl   30.8000  -20.8600
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 1
            20   13  19 1 #Up


entry: D03730
name: --- - Dexrazoxane (USAN) - Zinecard (TN)
formula: C11H16N4O4
activity: Cardioprotectant
kcf:
ATOM        19
            1   N1x N    11.0600  -20.0200
            2   C5x C    11.0600  -18.6200
            3   C1x C    12.2500  -17.9200
            4   N1y N    13.5100  -18.6200
            5   C1x C    13.5100  -20.0200
            6   C5x C    12.2500  -20.7200
            7   O5x O    12.2500  -22.1200
            8   O5x O     9.8700  -17.9200
            9   C1b C    14.7000  -17.9200
            10  C1c C    15.8900  -18.6200
            11  N1y N    17.0800  -17.9200
            12  C1x C    17.0800  -16.5200
            13  C5x C    18.3400  -15.8200
            14  N1x N    19.5300  -16.5200
            15  C5x C    19.5300  -17.9200
            16  C1x C    18.3400  -18.6200
            17  O5x O    20.7200  -18.6200
            18  O5x O    18.3400  -14.4200
            19  C1a C    15.8900  -20.0200
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     2   8 2
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18   15  17 2
            19   13  18 2
            20   10  19 1 #Up


entry: D03731
name: --- - Selegiline (USAN) - Emsam (TN)
formula: C13H17N
activity: Antidepressant [MAO inhibitor]
remark: Same as: C07245 Therapeutic category: 1169
kcf:
ATOM        14
            1   C8y C    32.2700  -17.9200
            2   C1b C    33.4600  -17.2900
            3   C8x C    32.2700  -19.3900
            4   C8x C    31.0100  -17.2200
            5   C1c C    34.6500  -17.9900
            6   C8x C    31.0100  -20.0900
            7   C8x C    29.8200  -17.9200
            8   N1c N    34.6500  -19.3900
            9   C1a C    35.9100  -17.2900
            10  C8x C    29.8200  -19.3900
            11  C1b C    35.8400  -20.0900
            12  C1a C    33.4600  -20.0900
            13  C3b C    37.1000  -19.3900
            14  C3a C    38.2200  -18.5500
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1 #Up
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11    8  12 1
            12   11  13 1
            13   13  14 3
            14    7  10 2


entry: D03732
name: --- - Dexsotalol hydrochloride (USAN)
formula: C12H20N2O3S. HCl
activity: Cardiac depressant [anti-arrhythmic]
kcf:
ATOM        19
            1   C8y C    19.9705  -17.0263
            2   C1c C    21.1617  -17.7270
            3   C8x C    19.9705  -15.6249
            4   C8x C    18.7092  -17.7270
            5   C1b C    22.3529  -17.0263
            6   C8x C    18.7092  -14.9242
            7   C8x C    17.5180  -17.0263
            8   N1b N    23.6142  -17.7270
            9   C8y C    17.5180  -15.6249
            10  C1c C    24.8054  -17.0263
            11  N1b N    16.3268  -14.9242
            12  C1a C    26.0666  -17.7270
            13  C1a C    24.8054  -15.6249
            14  S4a S    15.0655  -15.6249
            15  C1a C    13.8743  -14.9242
            16  O3c O    16.3268  -16.3256
            17  O3c O    14.0145  -16.3256
            18  O1a O    21.1614  -19.1098
            19  X   Cl   29.7103  -17.7971
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   10  13 1
            13   11  14 1
            14   14  15 1
            15   14  16 2
            16   14  17 2
            17    7   9 2
            18    2  18 1 #Up


entry: D03733
name: --- - Mofegiline hydrochloride (USAN)
formula: C11H13F2N. HCl
activity: Antiparkinsonian
remark: Therapeutic category: 1169
kcf:
ATOM        15
            1   C8x C    22.9600  -18.8300
            2   C8y C    22.9600  -20.2300
            3   C8x C    24.1724  -20.9300
            4   C8x C    25.3849  -20.2300
            5   C8y C    25.3849  -18.8300
            6   C8x C    24.1724  -18.1300
            7   X   F    21.7476  -20.9300
            8   C1b C    26.6160  -18.1190
            9   C1b C    27.8124  -18.8300
            10  C2c C    29.0249  -18.1300
            11  C1b C    30.2373  -18.8300
            12  N1a N    31.4497  -18.1300
            13  C2b C    29.0249  -16.7302
            14  X   F    27.8313  -16.0410
            15  X   Cl   35.4200  -18.1300
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   10  13 2
            14   13  14 1


entry: D03734
name: --- - Eldacimibe (USAN)
formula: C39H58N2O5
activity: Antihyperlipidemic
kcf:
ATOM        46
            1   C2y C    30.9735  -13.9182
            2   C2c C    30.9735  -15.3229
            3   N1c N    29.7795  -16.0252
            4   N1b N    32.1674  -16.0252
            5   C7x C    32.1674  -13.2159
            6   O7x O    32.1674  -11.8113
            7   C1z C    30.9735  -11.1089
            8   O7x O    29.7795  -11.8113
            9   C7x C    29.7795  -13.2159
            10  O7x O    33.3613  -13.9182
            11  O7x O    28.5856  -13.9182
            12  C1b C    28.5856  -15.3229
            13  C1b C    27.3214  -16.0252
            14  C1b C    26.1275  -15.3229
            15  C1b C    24.9335  -16.0252
            16  C1b C    23.6694  -15.3229
            17  C1a C    22.4753  -16.0252
            18  C1b C    29.7795  -17.4298
            19  C8y C    28.5856  -18.1322
            20  C8x C    27.3916  -17.4298
            21  C8x C    26.1275  -18.1322
            22  C8y C    26.1275  -19.5368
            23  C8x C    27.3916  -20.2392
            24  C8x C    28.5856  -19.5368
            25  C1b C    24.9335  -20.2392
            26  C1d C    23.6694  -19.5368
            27  C1a C    22.4753  -18.8345
            28  C8y C    33.5721  -16.0252
            29  C8x C    34.2744  -17.2416
            30  C8y C    35.6791  -17.2416
            31  C8y C    36.3814  -16.0252
            32  C8y C    35.6791  -14.8088
            33  C8x C    34.2744  -14.8088
            34  C1d C    36.3717  -13.6093
            35  C1d C    36.3717  -18.4411
            36  C1a C    37.0741  -12.3928
            37  C1a C    37.0741  -19.6576
            38  O1a O    37.7816  -16.0252
            39  C1a C    37.5951  -14.3161
            40  C1a C    35.1714  -12.9158
            41  C1a C    37.6208  -17.7202
            42  C1a C    35.1955  -19.1200
            43  C1a C    22.9748  -20.7516
            44  C1a C    24.3647  -18.3207
            45  C1a C    29.7611  -10.4089
            46  C1a C    32.1860  -10.4089
BOND        48
            1     1   2 2
            2     2   3 1
            3     2   4 1
            4     1   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     1   9 1
            10    5  10 2
            11    9  11 2
            12    3  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18    3  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   22  25 1
            27   25  26 1
            28   26  27 1
            29    4  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   28  33 1
            36   32  34 1
            37   30  35 1
            38   34  36 1
            39   35  37 1
            40   31  38 1
            41   34  39 1
            42   34  40 1
            43   35  41 1
            44   35  42 1
            45   26  43 1
            46   26  44 1
            47    7  45 1
            48    7  46 1


entry: D03735
name: --- - Lecimibide (USAN)
formula: C34H40F2N4OS
activity: Antihyperlipidemic
kcf:
ATOM        42
            1   S2a S    31.9200  -16.6600
            2   C1b C    33.1800  -17.3600
            3   C1b C    34.3700  -16.6600
            4   C1b C    35.5600  -17.3600
            5   C1b C    36.8200  -16.6600
            6   C1b C    38.0100  -17.3600
            7   N1c N    39.2000  -16.6600
            8   C1b C    40.3900  -17.3600
            9   C5a C    39.2000  -15.2600
            10  O5a O    40.3900  -14.5600
            11  N1b N    38.0100  -14.5600
            12  C8y C    38.0100  -13.1600
            13  C8y C    39.2000  -12.4600
            14  C8x C    39.2000  -11.0600
            15  C8y C    38.0100  -10.3600
            16  C8x C    36.7500  -11.0600
            17  C8x C    36.7500  -12.4600
            18  X   F    40.3900  -13.1600
            19  X   F    38.0100   -8.9600
            20  C1b C    41.5800  -16.6600
            21  C1b C    42.8400  -17.3600
            22  C1b C    44.0300  -16.6600
            23  C1b C    45.2200  -17.3600
            24  C1b C    46.4800  -16.6600
            25  C1a C    47.6700  -17.3600
            26  C8y C    30.7300  -17.3600
            27  C8y C    28.9100  -18.6900
            28  N5x N    30.3100  -18.6900
            29  N4x N    29.6100  -16.5200
            30  C8y C    28.4900  -17.3600
            31  C8y C    27.1570  -16.9320
            32  C8y C    28.0824  -19.8192
            33  C8x C    26.8630  -15.5719
            34  C8x C    25.5301  -15.1438
            35  C8x C    24.4929  -16.0842
            36  C8x C    24.7869  -17.4443
            37  C8x C    26.1199  -17.8723
            38  C8x C    26.6775  -19.6657
            39  C8x C    25.8499  -20.7950
            40  C8x C    26.4141  -22.0763
            41  C8x C    27.8191  -22.2297
            42  C8x C    28.6466  -21.1005
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1
            9     9  10 2
            10    9  11 1
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   12  17 1
            18   13  18 1
            19   15  19 1
            20    8  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26    1  26 1
            27   27  28 1
            28   28  26 2
            29   26  29 1
            30   29  30 1
            31   27  30 2
            32   30  31 1
            33   27  32 1
            34   31  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   31  37 1
            40   32  38 2
            41   38  39 1
            42   39  40 2
            43   40  41 1
            44   41  42 2
            45   32  42 1


entry: D03736
name: --- - Doramapimod (USAN)
formula: C31H37N5O3
activity: Treatment of rheumatoid arthritis, Crohn's disease and psoriasis
kcf:
ATOM        39
            1   N1b N    25.7277  -15.1685
            2   C5a C    26.9387  -14.4693
            3   N1b N    28.1498  -15.1685
            4   C8y C    29.3609  -14.4693
            5   O5a O    26.9387  -13.0711
            6   C8y C    30.5740  -15.1697
            7   C8y C    31.7850  -14.4705
            8   C8y C    31.7850  -13.0721
            9   C8x C    30.5719  -12.3717
            10  C8x C    29.3609  -13.0709
            11  C8x C    30.5740  -16.5681
            12  C8x C    31.7850  -17.2673
            13  C8x C    32.9960  -16.5681
            14  C8x C    32.9960  -15.1697
            15  O2a O    33.0218  -12.3717
            16  C1b C    34.2329  -13.0709
            17  C1b C    35.4440  -12.3717
            18  N1y N    36.6550  -13.0709
            19  C1x C    36.6550  -14.4692
            20  C1x C    37.8661  -15.1684
            21  O2x O    39.0771  -14.4692
            22  C1x C    39.0771  -13.0709
            23  C1x C    37.8661  -12.3717
            24  C8y C    24.5166  -14.4693
            25  C8x C    24.0751  -13.1405
            26  C8y C    22.6792  -13.1461
            27  N5x N    22.2532  -14.4754
            28  N4y N    23.3859  -15.2914
            29  C8y C    23.3916  -16.6876
            30  C8x C    22.1602  -17.4048
            31  C8x C    22.1655  -18.8032
            32  C8y C    23.3792  -19.4978
            33  C8x C    24.6105  -18.7806
            34  C8x C    24.6052  -17.3823
            35  C1a C    23.3845  -20.8974
            36  C1d C    21.8518  -12.0170
            37  C1a C    20.9118  -10.9815
            38  C1a C    22.8872  -11.0770
            39  C1a C    20.8164  -12.9570
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 2
            5     4   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    4  10 1
            11    6  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    7  14 1
            16    8  15 1
            17   15  16 1
            18   16  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
            26    1  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   24  28 1
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   29  34 1
            39   32  35 1
            40   26  36 1
            41   36  37 1
            42   36  38 1
            43   36  39 1


entry: D03737
name: --- - Dextofisopam (USAN)
formula: C22H26N2O4
activity: Treatment of irritable bowel syndrome, Crohn's disease; Anti-anxiety, anti-stress
kcf:
ATOM        28
            1   C2y C    23.6534  -14.9894
            2   C8y C    22.8113  -13.8798
            3   C8y C    23.1465  -12.5230
            4   C1y C    24.4075  -11.9449
            5   N2x N    25.0592  -15.0146
            6   C2y C    25.6611  -12.5672
            7   N2x N    25.9476  -13.9359
            8   C8x C    22.1394  -11.5546
            9   C8y C    20.7974  -11.9427
            10  C8y C    20.4622  -13.2995
            11  C8x C    21.4693  -14.2676
            12  C1a C    26.7052  -11.6328
            13  C8y C    23.0189  -16.2391
            14  C8x C    21.6173  -16.2391
            15  C1b C    24.4292  -10.5700
            16  C1a C    25.6532   -9.8889
            17  O2a O    19.7883  -10.9723
            18  C1a C    18.4433  -11.3611
            19  C1a C    18.1081  -12.7179
            20  O2a O    19.1173  -13.6883
            21  C8y C    20.9173  -17.4516
            22  C8y C    21.6173  -18.6640
            23  C8x C    23.0189  -18.6640
            24  C8x C    23.7189  -17.4516
            25  O2a O    19.5173  -17.4516
            26  C1a C    18.8173  -18.6640
            27  C1a C    19.5173  -19.8764
            28  O2a O    20.9173  -19.8764
BOND        30
            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 2
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    6  12 1
            14    1  13 1
            15   13  14 1
            16    4  15 1 #Up
            17   15  16 1
            18    9  17 1
            19   17  18 1
            20   19  20 1
            21   10  20 1
            22   14  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   13  24 2
            27   21  25 1
            28   25  26 1
            29   27  28 1
            30   22  28 1


entry: D03738
name: --- - Enalkiren (USAN)
formula: C35H56N6O6
activity: Antihypertensive
remark: Same as: C07466
kcf:
ATOM        47
            1   C1c C    30.1280  -16.6063
            2   C1b C    30.1280  -17.9374
            3   C5a C    31.3890  -15.9057
            4   N1b N    28.9370  -15.9057
            5   C8y C    31.1788  -18.7781
            6   N1b N    32.5800  -16.6063
            7   O5a O    31.3890  -14.5046
            8   C5a C    27.7460  -16.6063
            9   C8x C    31.1390  -20.1892
            10  N5x N    32.5674  -18.3930
            11  C1c C    33.7710  -15.9057
            12  C1c C    26.4850  -15.9057
            13  O5a O    27.7460  -18.0074
            14  N4x N    32.4850  -20.7130
            15  C8x C    33.3386  -19.5502
            16  C1b C    33.7710  -13.8742
            17  C1c C    35.0320  -16.6063
            18  C1b C    26.4850  -14.5046
            19  N1b N    25.2940  -16.6063
            20  C1y C    34.7518  -13.0335
            21  C1c C    36.2230  -15.9057
            22  O1a O    35.0319  -17.7973
            23  C8y C    27.7460  -13.8040
            24  C5a C    24.0330  -15.9057
            25  C1x C    35.9427  -13.7340
            26  C1x C    34.7518  -11.6323
            27  C1b C    37.4140  -16.6063
            28  C8x C    28.9370  -14.5046
            29  C8x C    27.7460  -12.4028
            30  C1b C    22.8420  -16.6063
            31  O5a O    24.0330  -14.5046
            32  C1x C    37.1337  -13.0335
            33  C1x C    35.9427  -10.9317
            34  C1c C    38.6750  -15.9057
            35  C8x C    30.1280  -13.8040
            36  C8x C    28.9370  -11.7023
            37  C1d C    21.6510  -15.9057
            38  C1x C    37.1337  -11.6323
            39  C1a C    39.8660  -16.6063
            40  C1a C    38.6750  -14.5046
            41  C8y C    30.1280  -12.4028
            42  O2a O    31.3890  -11.7023
            43  C1a C    32.5687  -12.3965
            44  O1a O    36.2233  -14.4904
            45  N1a N    20.4386  -15.2057
            46  C1a C    22.3574  -14.6938
            47  C1a C    20.9477  -17.1125
BOND        49
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   11  16 1 #Up
            16   11  17 1
            17   12  18 1 #Up
            18   12  19 1
            19   16  20 1
            20   17  21 1
            21   17  22 1 #Down
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   20  26 1
            26   21  27 1
            27   23  28 2
            28   23  29 1
            29   24  30 1
            30   24  31 2
            31   25  32 1
            32   26  33 1
            33   27  34 1
            34   28  35 1
            35   29  36 2
            36   30  37 1
            37   32  38 1
            38   34  39 1
            39   34  40 1
            40   35  41 2
            41   41  42 1
            42   14  15 1
            43   33  38 1
            44   36  41 1
            45   42  43 1
            46   21  44 1 #Up
            47   37  45 1
            48   37  46 1
            49   37  47 1


entry: D03741
name: --- - Ditekiren (USAN)
formula: C50H75N9O8
activity: Antihypertensive
kcf:
ATOM        67
            1   C1c C    33.8800  -11.2000
            2   C1b C    33.8800  -12.5300
            3   C5a C    35.1400  -10.5000
            4   N1c N    32.6900  -10.5000
            5   C8y C    34.9300  -13.3700
            6   N1b N    36.3300  -11.2000
            7   O5a O    35.1400   -9.1000
            8   C5a C    31.5000  -11.2000
            9   C8x C    35.0700  -14.7700
            10  N5x N    36.2600  -12.8100
            11  C1c C    37.5200  -10.5000
            12  C1c C    30.2400  -10.5000
            13  O5a O    31.5000  -12.6000
            14  N4x N    36.4700  -15.1200
            15  C8x C    37.1700  -13.8600
            16  C1c C    38.7800  -11.2000
            17  C1b C    30.2400   -8.2600
            18  N1b N    29.0500  -11.2000
            19  C1b C    39.9700  -10.5000
            20  O1a O    38.7100  -12.3900
            21  C8y C    31.5000   -7.5600
            22  C5a C    27.7900  -10.5000
            23  C1c C    41.1600  -11.2000
            24  C8x C    32.6900   -8.2600
            25  C8x C    31.5000   -6.1600
            26  O5a O    27.7900   -9.1000
            27  C5a C    42.4200  -10.5000
            28  C8x C    33.8800   -7.5600
            29  C8x C    32.6900   -5.4600
            30  N1b N    43.6800  -11.2000
            31  O5a O    42.4200   -9.1000
            32  C8x C    33.8800   -6.1600
            33  C1b C    37.5200   -9.1000
            34  C1c C    38.7100   -8.4000
            35  C1a C    38.7100   -7.0000
            36  C1c C    41.1600  -12.6000
            37  C1a C    39.9000  -13.3000
            38  C1a C    42.3500  -13.3000
            39  C1c C    44.8700  -10.5000
            40  C5a C    46.1300  -11.2000
            41  N1b N    47.3200  -10.5000
            42  C1b C    48.5100  -11.2000
            43  C1c C    44.8700   -9.1000
            44  C1a C    43.6800   -8.4000
            45  C1b C    46.0600   -8.4000
            46  C1a C    46.0600   -7.0000
            47  O5a O    46.1300  -12.6000
            48  C8y C    49.7000  -10.5000
            49  C8x C    49.7000   -9.1000
            50  C8x C    50.9600   -8.4000
            51  C8x C    52.1500   -9.1000
            52  C8x C    52.1500  -10.5000
            53  N5x N    50.9600  -11.2000
            54  C1a C    39.9700   -9.1000
            55  C1a C    32.6900   -9.1000
            56  C1y C    26.6000  -11.2000
            57  N1y N    25.2000  -11.2000
            58  C1x C    24.7800  -12.5300
            59  C1x C    25.9000  -13.3700
            60  C1x C    27.0200  -12.5300
            61  C7a C    24.0100  -10.5000
            62  O7a O    22.7500  -11.2000
            63  C1d C    21.5600  -10.5000
            64  O7a O    24.0100   -9.1000
            65  C1a C    20.5800   -9.5200
            66  C1a C    22.2600   -9.3100
            67  C1a C    20.8600  -11.6900
BOND        70
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   11  16 1
            16   12  17 1 #Up
            17   12  18 1
            18   16  19 1
            19   16  20 1 #Down
            20   17  21 1
            21   18  22 1
            22   19  23 1
            23   21  24 2
            24   21  25 1
            25   22  26 2
            26   23  27 1
            27   24  28 1
            28   25  29 2
            29   27  30 1
            30   27  31 2
            31   28  32 2
            32   14  15 1
            33   29  32 1
            34   11  33 1 #Up
            35   33  34 1
            36   34  35 1
            37   23  36 1 #Down
            38   36  37 1
            39   36  38 1
            40   30  39 1
            41   39  40 1
            42   40  41 1
            43   41  42 1
            44   39  43 1
            45   43  44 1 #Up
            46   43  45 1
            47   45  46 1
            48   40  47 2
            49   42  48 1
            50   48  49 2
            51   49  50 1
            52   50  51 2
            53   51  52 1
            54   52  53 2
            55   48  53 1
            56   34  54 1
            57    4  55 1
            58   56  22 1
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   56  60 1
            64   57  61 1
            65   61  62 1
            66   62  63 1
            67   61  64 2
            68   63  65 1
            69   63  66 1
            70   63  67 1


entry: D03742
name: --- - Dextromethorphan (USP)
formula: C18H25NO
activity: Antitussive
remark: Same as: C06947 Therapeutic category: 2223
kcf:
ATOM        20
            1   C1z C    33.2856  -19.2724
            2   C8y C    33.2913  -17.9380
            3   C1y C    34.4453  -19.9427
            4   C1x C    34.2413  -18.3226
            5   C1x C    32.1259  -19.9368
            6   C8y C    34.4570  -17.2736
            7   C8x C    32.1492  -17.2619
            8   C1y C    35.6051  -19.2841
            9   C1x C    34.4453  -21.2772
            10  C1x C    36.7415  -18.3167
            11  C1x C    32.1259  -21.2772
            12  C1x C    35.6108  -17.9496
            13  C8x C    34.4687  -15.9449
            14  C8y C    32.1609  -15.9273
            15  N1y N    36.7590  -19.9601
            16  C1x C    33.2856  -21.9534
            17  C8x C    33.3206  -15.2688
            18  O2a O    31.0069  -15.2455
            19  C1a C    38.2276  -19.9368
            20  C1a C    29.8412  -15.9040
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1 #Down
            15    9  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20    8  12 1
            21   10  15 1
            22   11  16 1
            23   14  17 1


entry: D03743
name: --- - Terlakiren (USAN)
formula: C31H48N4O7S
activity: Antihypertensive
kcf:
ATOM        43
            1   C1c C    34.0200  -19.6700
            2   C1b C    34.0200  -21.0000
            3   C5a C    35.2800  -18.9700
            4   N1b N    32.8300  -18.9700
            5   N1b N    36.4700  -19.6700
            6   O5a O    35.2800  -17.5700
            7   C5a C    31.6400  -19.6700
            8   C1c C    37.6600  -18.9700
            9   C1c C    30.3800  -18.9700
            10  O5a O    31.6400  -21.0700
            11  C1b C    37.6600  -17.0800
            12  C1c C    38.9200  -19.6700
            13  C1b C    30.3800  -17.5700
            14  N1b N    29.1900  -19.6700
            15  C1y C    38.6400  -16.2400
            16  C7a C    40.1100  -18.9700
            17  O1a O    38.8500  -20.8600
            18  C8y C    31.6400  -16.8700
            19  C5a C    27.9300  -18.9700
            20  C1x C    39.8300  -16.9400
            21  C1x C    38.6400  -14.8400
            22  O7a O    41.3000  -19.6700
            23  C8x C    32.8300  -17.5700
            24  C8x C    31.6400  -15.4700
            25  O5a O    27.9300  -17.5700
            26  C1x C    41.0200  -16.2400
            27  C1x C    39.8300  -14.1400
            28  C1c C    42.5600  -18.9700
            29  C8x C    34.0200  -16.8700
            30  C8x C    32.8300  -14.7700
            31  C1x C    41.0200  -14.8400
            32  C1a C    43.8200  -19.6700
            33  C1a C    42.5600  -17.5700
            34  C8x C    34.0200  -15.4700
            35  O7a O    40.1100  -17.5700
            36  S2a S    35.2100  -21.7000
            37  C1a C    35.2100  -23.1000
            38  N1y N    26.7400  -19.6700
            39  C1x C    25.4800  -19.0400
            40  C1x C    24.2900  -19.7400
            41  O2x O    24.2900  -21.1400
            42  C1x C    25.5500  -21.8400
            43  C1x C    26.7400  -21.0700
BOND        45
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 1 #Up
            11    8  12 1
            12    9  13 1 #Up
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1 #Down
            17   13  18 1
            18   14  19 1
            19   15  20 1
            20   15  21 1
            21   16  22 1
            22   18  23 2
            23   18  24 1
            24   19  25 2
            25   20  26 1
            26   21  27 1
            27   22  28 1
            28   23  29 1
            29   24  30 2
            30   26  31 1
            31   28  32 1
            32   28  33 1
            33   29  34 2
            34   27  31 1
            35   30  34 1
            36   16  35 2
            37    2  36 1
            38   36  37 1
            39   19  38 1
            40   38  39 1
            41   39  40 1
            42   40  41 1
            43   41  42 1
            44   42  43 1
            45   38  43 1


entry: D03745
name: --- - Zankiren hydrochloride (USAN)
formula: C35H55N5O6S2. HCl
activity: Antihypertensive
kcf:
ATOM        49
            1   C1c C    24.8875  -19.6247
            2   C1b C    24.8875  -21.3017
            3   C5a C    26.1446  -18.9263
            4   N1b N    23.7003  -18.9263
            5   N1b N    27.3318  -19.6247
            6   O5a O    26.1446  -17.5296
            7   C5a C    22.5131  -19.6247
            8   C1c C    28.5190  -18.9263
            9   C1c C    21.2560  -18.9263
            10  O5a O    22.5131  -20.9516
            11  C1b C    28.5190  -17.0407
            12  C1c C    29.7761  -19.6247
            13  C1b C    21.2560  -17.1117
            14  C1b C    20.0688  -19.6247
            15  C1y C    29.4967  -16.2027
            16  C1c C    30.9633  -18.9263
            17  O1a O    29.7062  -20.7420
            18  C8y C    22.5131  -16.4134
            19  C1x C    30.6840  -16.9011
            20  C1x C    29.4967  -14.8060
            21  C1b C    32.1505  -19.6247
            22  C8x C    23.7003  -17.1117
            23  C8x C    22.5131  -15.0166
            24  C1x C    31.8712  -16.2027
            25  C1x C    30.6840  -14.1076
            26  C8x C    24.8875  -16.4134
            27  C8x C    23.7003  -14.3182
            28  C1x C    31.8712  -14.8060
            29  C8x C    24.8875  -15.0166
            30  O1a O    30.9633  -17.5296
            31  C8y C    26.0747  -22.0002
            32  C1c C    33.3658  -18.9362
            33  C1a C    34.5444  -19.6297
            34  C1a C    33.3773  -17.5302
            35  C8x C    26.2095  -23.3904
            36  S2x S    27.5732  -23.6919
            37  C8x C    28.2815  -22.4880
            38  N5x N    27.3553  -21.4424
            39  S4a S    18.8565  -18.9378
            40  N1y N    17.6159  -19.6671
            41  C1x C    16.4176  -18.9875
            42  C1x C    15.2106  -19.6968
            43  N1y N    15.2214  -21.0968
            44  C1x C    16.4196  -21.7763
            45  C1x C    17.6267  -21.0670
            46  C1a C    14.0034  -21.8130
            47  O3c O    19.8465  -17.9479
            48  O3c O    17.8666  -17.9479
            49  X   Cl   33.3608  -21.9386
BOND        51
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 1 #Up
            11    8  12 1
            12    9  13 1 #Up
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1 #Down
            17   13  18 1
            18   15  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   22  26 1
            26   23  27 2
            27   24  28 1
            28   26  29 2
            29   25  28 1
            30   27  29 1
            31   16  30 1 #Up
            32    2  31 1
            33   21  32 1
            34   32  33 1
            35   32  34 1
            36   31  35 2
            37   35  36 1
            38   36  37 1
            39   37  38 2
            40   31  38 1
            41   14  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   40  45 1
            49   43  46 1
            50   39  47 2
            51   39  48 2


entry: D03746
name: --- - Dextrorphan hydrochloride (USAN)
formula: C17H23NO. HCl
activity: Vasospastic therapy adjunct
kcf:
ATOM        20
            1   C1z C    32.7439  -19.3484
            2   C8y C    32.7555  -18.0054
            3   C1y C    33.8882  -20.0375
            4   C1x C    34.0284  -18.4960
            5   C1x C    31.5642  -19.9967
            6   C8y C    33.9232  -17.3457
            7   C8x C    31.5876  -17.3223
            8   C1y C    35.0794  -19.3251
            9   C1x C    33.8767  -21.3805
            10  C1x C    36.2589  -18.5135
            11  C1x C    31.5409  -21.3455
            12  C1x C    35.0911  -18.0405
            13  C8x C    33.9408  -16.0027
            14  C8y C    31.5993  -15.9734
            15  N1y N    36.2474  -19.9908
            16  C1x C    32.6971  -22.0288
            17  C8x C    32.7905  -15.3137
            18  O1a O    30.4432  -15.2903
            19  C1a C    37.6253  -20.0024
            20  X   Cl   41.9300  -18.9000
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1 #Down
            15    9  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 1
            19    8  12 1
            20   10  15 1
            21   11  16 1
            22   14  17 1


entry: D03747
name: --- - Ibrolipim (USAN)
formula: C19H20BrN2O4P
activity: Antiatherogenic; Antibesity; Antidyslipidemia; Anticachexia; And antidiabetes/syndrome X
kcf:
ATOM        27
            1   C8x C    18.4800  -25.2700
            2   C8y C    18.4800  -23.8700
            3   C8x C    19.6700  -23.1700
            4   C8y C    20.9300  -23.8700
            5   C8y C    20.9300  -25.2700
            6   C8x C    19.6700  -25.9700
            7   N1b N    22.1200  -25.9700
            8   C5a C    23.3800  -25.2700
            9   C8y C    24.5700  -25.9700
            10  C8x C    25.7600  -25.2700
            11  C8x C    27.0200  -25.9700
            12  C8y C    27.0200  -27.3700
            13  C8x C    25.7600  -28.0700
            14  C8x C    24.5700  -27.3700
            15  C1b C    28.2100  -28.0700
            16  P1b P    29.6100  -28.0700
            17  O2b O    31.0100  -28.0700
            18  O3b O    29.6100  -29.4700
            19  O2b O    29.6100  -26.6700
            20  C1b C    30.8000  -25.9700
            21  C1a C    30.8000  -24.5700
            22  C1b C    31.7100  -29.2600
            23  C1a C    33.1100  -29.2600
            24  O5a O    23.3800  -23.8700
            25  C3b C    22.1200  -23.1700
            26  N3a N    23.3800  -22.4700
            27  X   Br   17.2900  -23.1700
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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   16  19 1
            21   19  20 1
            22   20  21 1
            23   17  22 1
            24   22  23 1
            25    8  24 2
            26    4  25 1
            27   25  26 3
            28    2  27 1


entry: D03749
name: --- - Plomestane (USAN)
formula: C21H26O2
activity: Antineoplastic
kcf:
ATOM        23
            1   C1y C    35.1909  -19.6974
            2   C1y C    34.0693  -18.9964
            3   C1y C    36.3826  -18.9964
            4   C1x C    35.1909  -21.0994
            5   C1z C    32.8776  -19.6974
            6   C1x C    34.0693  -17.6645
            7   C1z C    36.3826  -17.6645
            8   C1x C    38.7661  -18.9965
            9   C1x C    33.9992  -21.7304
            10  C2y C    32.8776  -21.0994
            11  C1x C    31.6858  -18.9964
            12  C1b C    32.8775  -18.3655
            13  C1x C    35.2610  -16.9635
            14  C5x C    37.5743  -16.9635
            15  C1a C    36.3826  -16.3326
            16  C1x C    38.7661  -17.6645
            17  C2x C    31.6858  -21.7304
            18  C1x C    30.4941  -19.6974
            19  O5x O    37.5743  -15.6316
            20  C5x C    30.4941  -21.0994
            21  O5x O    29.3024  -21.7304
            22  C3b C    31.6281  -17.7293
            23  C3a C    30.4139  -17.0283
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 2
            17   11  18 1
            18   14  19 2
            19   17  20 1
            20   20  21 2
            21    7  13 1
            22    9  10 1
            23   14  16 1
            24   18  20 1
            25   12  22 1
            26   22  23 3


entry: D03750
name: --- - Dextrothyroxine sodium (USAN) - Choloxin (TN)
formula: C15H10I4NO4. Na. xH2O
activity: Antihyperlipidemic
kcf:
ATOM        26
            1   C8y C    29.3441  -15.6972
            2   O2a O    28.1394  -14.9955
            3   C8x C    29.3558  -17.0890
            4   C8x C    30.5604  -14.9721
            5   C8y C    26.9465  -14.2880
            6   C8y C    30.5721  -17.7673
            7   C8y C    31.7767  -15.6504
            8   C8y C    25.7361  -14.9897
            9   C8y C    26.9465  -12.8786
            10  C8y C    31.7884  -17.0539
            11  X   I    30.5897  -19.1591
            12  X   I    32.9756  -14.9312
            13  C8x C    24.5315  -14.2880
            14  X   I    25.7478  -16.4046
            15  C8x C    25.7361  -12.1711
            16  X   I    28.1571  -12.1652
            17  O1a O    33.0107  -17.7322
            18  C8y C    24.5315  -12.8786
            19  C1b C    23.3328  -12.1652
            20  C1c C    22.1340  -12.8669
            21  C6a C    20.9352  -12.1594
            22  O6a O    20.9410  -10.7501
            23  O0  O    19.7305  -12.8611 #-
            24  N1a N    22.1316  -14.2807
            25  O0  O    21.5770  -17.9343
            26  Z   Na   17.4999  -12.8819 #+
BOND        25
            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 2
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    8  14 1
            14    9  15 1
            15    9  16 1
            16   10  17 1
            17   13  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 2
            22   21  23 1
            23    7  10 1
            24   15  18 2
            25   20  24 1 #Up


entry: D03751
name: --- - Icopezil maleate (USAN)
formula: C23H25N3O2. C4H4O4
remark: Therapeutic category: 1190
activity:
Alzheimer's desease treatment [cognition enhancer]; Cognition adjuvant; Inhibitor [acetylcholinesterase]

kcf:
ATOM        36
            1   C1b C    20.2300  -18.4100
            2   C1b C    21.4900  -17.7100
            3   C1y C    22.6800  -18.4100
            4   C1x C    22.6800  -19.7400
            5   C1x C    23.8700  -17.7100
            6   C1x C    23.8700  -20.4400
            7   C1x C    25.0600  -18.3400
            8   N1y N    25.0600  -19.7400
            9   C1b C    26.3200  -20.4400
            10  C8y C    27.5100  -19.7400
            11  C8x C    28.7000  -20.4400
            12  C8x C    27.5100  -18.3400
            13  C8x C    29.8900  -19.7400
            14  C8x C    28.7000  -17.7100
            15  C8x C    29.8900  -18.3400
            16  C8y C    19.0293  -17.6901
            17  N5x N    18.9079  -16.3162
            18  O2x O    17.5638  -16.0071
            19  C8y C    16.8544  -17.1900
            20  C8y C    17.7602  -18.2301
            21  C8x C    15.4804  -17.4583
            22  C8y C    15.0257  -18.7824
            23  C8y C    15.9315  -19.8225
            24  C8x C    17.3055  -19.5542
            25  N1x N    13.7566  -19.3224
            26  C5x C    13.8780  -20.6962
            27  C1x C    15.2221  -21.0053
            28  O5x O    12.8001  -21.6347
            29  C2b C    35.3500  -17.7800
            30  C2b C    37.1000  -17.7800
            31  C6a C    34.6500  -18.9924
            32  C6a C    37.8000  -18.9924
            33  O6a O    39.2000  -18.9924
            34  O6a O    33.2500  -18.9924
            35  O6a O    35.3404  -20.1879
            36  O6a O    37.1096  -20.1879
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 2
            11   10  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 2
            15    7   8 1
            16   14  15 1
            17    1  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   16  20 1
            23   19  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   20  24 2
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   23  27 1
            32   26  28 2
            33   29  30 2
            34   29  31 1
            35   30  32 1
            36   32  33 2
            37   31  34 1
            38   31  35 2
            39   32  36 1


entry: D03752
name: --- - Quinapril (USP)
formula: C25H30N2O5
remark: Same as: C07398 Therapeutic category: 2144
kcf:
ATOM        32
            1   C1x C    38.2900  -20.0200
            2   C8y C    39.4800  -19.3200
            3   N1y N    37.1000  -19.3200
            4   C8y C    39.4800  -17.9200
            5   C8x C    40.7400  -20.0200
            6   C1y C    37.1000  -17.9200
            7   C1x C    38.2900  -17.2200
            8   C8x C    40.7400  -17.2200
            9   C8x C    41.9300  -19.3200
            10  C8x C    41.9300  -17.9200
            11  N1b N    33.4600  -20.0200
            12  C1c C    32.2700  -19.3200
            13  C7a C    32.2700  -17.9200
            14  C1b C    31.0100  -20.0200
            15  O7a O    33.4600  -17.2200
            16  O7a O    31.0100  -17.2200
            17  C1b C    29.8200  -19.3200
            18  C1b C    33.4600  -15.8200
            19  C8y C    28.6300  -20.0200
            20  C1a C    32.2000  -15.1200
            21  C8x C    28.6300  -21.4200
            22  C8x C    27.3700  -19.3200
            23  C8x C    27.3700  -22.1200
            24  C8x C    26.1800  -20.0200
            25  C8x C    26.1800  -21.4200
            26  C1c C    34.6500  -19.3200
            27  C5a C    35.8400  -20.0200
            28  O5a O    35.8400  -21.4200
            29  C1a C    34.6500  -17.9200
            30  C6a C    37.1000  -16.5200
            31  O6a O    38.2900  -15.7500
            32  O6a O    35.8400  -15.8200
BOND        34
            1     6   7 1
            2     9  10 1
            3     1   2 1
            4     1   3 1
            5    11  12 1
            6    12  13 1 #Up
            7    12  14 1
            8    13  15 1
            9    13  16 2
            10   14  17 1
            11   15  18 1
            12   17  19 1
            13   18  20 1
            14   19  21 1
            15   19  22 2
            16   21  23 2
            17   22  24 1
            18   23  25 1
            19   24  25 2
            20    2   4 2
            21   11  26 1
            22    2   5 1
            23   26  27 1
            24   27   3 1
            25    3   6 1
            26   27  28 2
            27    4   7 1
            28   26  29 1 #Up
            29    4   8 1
            30    6  30 1 #Down
            31    5   9 2
            32   30  31 1
            33    8  10 2
            34   30  32 2


entry: D03753
name: --- - Perindopril (USAN)
formula: C19H32N2O5
activity: Enzyme inhibitor [angiotensin-converting]
remark: Same as: C07706 Therapeutic category: 2144
kcf:
ATOM        26
            1   N1y N    36.2600  -19.6700
            2   C1y C    37.5900  -20.2300
            3   C1y C    36.4700  -18.2700
            4   C5a C    35.0700  -20.3700
            5   C1y C    38.5000  -19.1800
            6   C1x C    38.0100  -21.5600
            7   C1x C    37.8000  -17.9200
            8   C6a C    36.4000  -16.8700
            9   C1c C    33.8800  -19.6700
            10  O5a O    35.0700  -21.7700
            11  C1x C    39.9000  -19.4600
            12  C1x C    39.3400  -21.8400
            13  O6a O    37.6600  -16.1000
            14  O6a O    35.2100  -16.1700
            15  N1b N    32.6200  -20.3700
            16  C1a C    33.8800  -18.2700
            17  C1x C    40.3200  -20.7900
            18  C1c C    31.4300  -19.6700
            19  C7a C    31.4300  -18.2700
            20  C1b C    30.2400  -20.3700
            21  O7a O    32.6200  -17.5700
            22  O7a O    30.2400  -17.5700
            23  C1b C    28.9800  -19.6700
            24  C1b C    32.6200  -16.1700
            25  C1a C    27.7900  -20.3700
            26  C1a C    31.4300  -15.4700
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    8  13 1
            13    8  14 2
            14    9  15 1
            15    9  16 1 #Up
            16   11  17 1
            17   15  18 1
            18   18  19 1 #Up
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   21  24 1
            24   23  25 1
            25   24  26 1
            26    5   7 1
            27   12  17 1


entry: D03754
name: --- - Dezaguanine (USAN)
formula: C6H6N4O
activity: Antineoplastic
kcf:
ATOM        11
            1   N4x N    14.2800  -16.8700
            2   C8y C    14.2800  -18.2700
            3   C8x C    15.4924  -18.9700
            4   C8y C    16.7049  -18.2700
            5   C8y C    16.7049  -16.8700
            6   C8y C    15.4924  -16.1700
            7   N4x N    18.0364  -18.7026
            8   C8x C    18.8593  -17.5700
            9   N5x N    18.0364  -16.4374
            10  O5x O    15.4924  -14.7702
            11  N1a N    13.0676  -18.9700
BOND        12
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    6  10 2
            12    2  11 1


entry: D03755
name: --- - Dezaguanine mesylate (USAN)
formula: C6H6N4O. CH4SO3
activity: Antineoplastic
kcf:
ATOM        16
            1   N4x N     4.9002   -7.0702
            2   C8y C     4.9002   -8.4702
            3   C8x C     6.1126   -9.1702
            4   C8y C     7.3251   -8.4702
            5   C8y C     7.3251   -7.0702
            6   C8y C     6.1126   -6.3702
            7   N4x N     8.6566   -8.9028
            8   C8x C     9.4795   -7.7702
            9   N5x N     8.6566   -6.6376
            10  O5x O     6.1126   -4.9704
            11  N1a N     3.6878   -9.1702
            12  O3c O    13.6591   -6.6863
            13  S4a S    13.6591   -8.0833
            14  C1a C    12.2622   -8.0833
            15  O1d O    15.0561   -8.0833
            16  O3c O    13.6591   -9.4802
BOND        16
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    6  10 2
            12    2  11 1
            13   12  13 2
            14   13  14 1
            15   13  15 1
            16   13  16 2


entry: D03756
name: --- - Indolapril hydrochloride (USAN)
formula: C24H34N2O5. HCl
activity: Antihypertensive
remark: Therapeutic category: 2144
kcf:
ATOM        32
            1   N1y N    36.2600  -19.6000
            2   C1y C    37.5900  -20.1600
            3   C1y C    36.4700  -18.2000
            4   C5a C    35.0700  -20.3000
            5   C1y C    38.5000  -19.1100
            6   C1x C    38.0100  -21.4900
            7   C1x C    37.8000  -17.8500
            8   C6a C    36.4000  -16.8000
            9   C1c C    33.8800  -19.6000
            10  O5a O    35.0700  -21.7000
            11  C1x C    39.9000  -19.3900
            12  C1x C    39.3400  -21.7700
            13  O6a O    37.6600  -16.1000
            14  O6a O    35.2100  -16.1700
            15  N1b N    32.6200  -20.3000
            16  C1a C    33.8800  -18.2000
            17  C1x C    40.3200  -20.7200
            18  C1c C    31.4300  -19.6000
            19  C7a C    31.4300  -18.2000
            20  C1b C    30.2400  -20.3000
            21  O7a O    32.6200  -17.5000
            22  O7a O    30.2400  -17.5000
            23  C1b C    28.9800  -19.6000
            24  C1b C    32.6200  -16.1700
            25  C8y C    27.7900  -20.3000
            26  C1a C    31.4300  -15.4700
            27  C8x C    26.5719  -19.6099
            28  C8x C    25.3652  -20.3197
            29  C8x C    25.3066  -21.7197
            30  C8x C    26.5947  -22.4098
            31  C8x C    27.8014  -21.7000
            32  X   Cl   44.1700  -19.6700
BOND        33
            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 #Down
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    8  13 1
            13    8  14 2
            14    9  15 1
            15    9  16 1 #Up
            16   11  17 1
            17   15  18 1
            18   18  19 1 #Up
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   21  24 1
            24   23  25 1
            25   24  26 1
            26    5   7 1
            27   12  17 1
            28   25  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   25  31 1


entry: D03757
name: --- - Dezinamide (USAN)
formula: C11H11F3N2O2
activity: Anticonvulsant
kcf:
ATOM        18
            1   C8y C    26.0796  -15.6443
            2   C8x C    27.2762  -16.3355
            3   C8y C    28.4862  -15.6372
            4   C8x C    28.4865  -14.2403
            5   C8x C    27.2898  -13.5491
            6   C8x C    26.0799  -14.2474
            7   C1d C    29.7145  -16.3467
            8   X   F    30.9242  -17.0452
            9   X   F    30.4130  -15.1369
            10  X   F    29.0160  -17.5565
            11  O2a O    24.9045  -16.3219
            12  C1y C    23.6990  -15.6250
            13  C1x C    23.3358  -14.2666
            14  N1y N    21.9775  -14.6299
            15  C1x C    22.3407  -15.9882
            16  C5a C    20.7673  -13.9304
            17  N1a N    19.5718  -14.6200
            18  O5a O    20.7680  -12.5302
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     7   9 1
            10    7  10 1
            11    1  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   12  15 1
            17   14  16 1
            18   16  17 1
            19   16  18 2


entry: D03758
name: --- - Libenzapril (USAN)
formula: C18H25N3O5
activity: Enzyme inhibitor [angiotensin-converting]
remark: Therapeutic category: 2144
kcf:
ATOM        26
            1   C1y C    25.4100  -18.2700
            2   C5x C    25.1300  -16.9400
            3   C1x C    24.5700  -19.3900
            4   N1y N    23.8700  -16.3100
            5   O5x O    26.2500  -16.1000
            6   C1x C    23.1700  -19.3900
            7   C8y C    22.6100  -16.8700
            8   C8y C    22.2600  -18.2700
            9   C8x C    21.5600  -15.9600
            10  C8x C    20.2300  -16.3100
            11  C8x C    19.9500  -17.7100
            12  C8x C    20.9300  -18.6900
            13  C1b C    23.8700  -14.9100
            14  N1b N    26.8100  -18.6200
            15  C1c C    28.0224  -19.3200
            16  C1b C    29.2349  -18.6200
            17  C1b C    30.4473  -19.3200
            18  C1b C    31.6597  -18.6200
            19  C1b C    32.8722  -19.3200
            20  N1a N    34.0846  -18.6200
            21  C6a C    28.0224  -20.7198
            22  O6a O    26.7932  -21.4297
            23  O6a O    29.2180  -21.4102
            24  C6a C    22.6576  -14.2100
            25  O6a O    22.6576  -12.8100
            26  O6a O    21.4621  -14.9004
BOND        27
            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     6   8 1
            8     7   8 1
            9     7   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13    8  12 2
            14    4  13 1
            15    1  14 1 #Up
            16   14  15 1
            17   15  16 1 #Up
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  21 1
            23   21  22 1
            24   21  23 2
            25   13  24 1
            26   24  25 1
            27   24  26 2


entry: D03759
name: --- - Diacetolol hydrochloride (USAN)
formula: C16H24N2O4. HCl
activity: Anti-adrenergic [beta-receptor]
kcf:
ATOM        23
            1   C8y C    30.8733  -17.2924
            2   C8y C    29.6830  -17.9925
            3   C8x C    32.1334  -17.9925
            4   O2a O    30.8733  -15.8922
            5   C8x C    29.6830  -19.3927
            6   C5a C    28.4229  -17.2924
            7   C8x C    32.1334  -19.3227
            8   C1b C    32.0634  -15.1921
            9   C8y C    30.9433  -20.0929
            10  C1a C    27.2326  -17.9925
            11  O5a O    28.4229  -15.8922
            12  C1c C    33.2537  -15.8222
            13  N1b N    30.9433  -21.4932
            14  C1b C    34.5138  -15.1220
            15  O1a O    33.2537  -17.2224
            16  C5a C    29.7530  -22.1932
            17  N1b N    35.7041  -15.8222
            18  C1a C    28.4929  -21.4932
            19  O5a O    29.7530  -23.5935
            20  C1c C    36.8942  -15.1220
            21  C1a C    38.1545  -15.7522
            22  C1a C    36.8942  -13.7219
            23  X   Cl   40.8150  -19.5328
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 2
            11    8  12 1
            12    9  13 1
            13   12  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   16  18 1
            18   16  19 2
            19   17  20 1
            20   20  21 1
            21   20  22 1
            22    7   9 2


entry: D03760
name: --- - Pentopril (USAN)
formula: C18H23NO5
activity: Enzyme inhibitor [angiotensin-converting]
remark: Therapeutic category: 2144
kcf:
ATOM        24
            1   N1y N    37.7300  -19.2500
            2   C8y C    38.9900  -19.8100
            3   C1y C    37.8700  -17.8500
            4   C5a C    36.4700  -19.9500
            5   C8y C    39.9000  -18.8300
            6   C1x C    39.2000  -17.5700
            7   C6a C    37.8700  -16.4500
            8   C1c C    35.2800  -19.2500
            9   O5a O    36.4700  -21.3500
            10  O6a O    39.0600  -15.7500
            11  O6a O    36.6100  -15.8200
            12  C1b C    34.0900  -19.9500
            13  C1a C    35.2800  -17.8500
            14  C1c C    32.8300  -19.2500
            15  C7a C    31.6400  -20.0200
            16  C1a C    32.8300  -17.9200
            17  C8x C    39.4021  -21.1480
            18  C8x C    40.7669  -21.4600
            19  C8x C    41.6769  -20.4800
            20  C8x C    41.2648  -19.1420
            21  O7a O    30.3936  -19.3824
            22  O7a O    31.6410  -21.4182
            23  C1b C    29.2051  -20.1514
            24  C1a C    27.9504  -19.5093
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     4   9 2
            9     7  10 1
            10    7  11 2
            11    8  12 1
            12    8  13 1 #Up
            13   12  14 1
            14   14  15 1
            15   14  16 1 #Down
            16    5   6 1
            17    2  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21    5  20 2
            22   15  21 1
            23   15  22 2
            24   21  23 1
            25   23  24 1


entry: D03762
name: --- - Diamocaine cyclamate (USAN)
formula: C25H37N3O. (C6H13NO3S)2
activity: Anesthetic [local]
kcf:
ATOM        51
            1   C8x C    15.3379  -12.6859
            2   C8x C    15.3379  -14.0898
            3   C8x C    16.5537  -14.7918
            4   C8x C    17.7696  -14.0898
            5   C8y C    17.7696  -12.6859
            6   C8x C    16.5537  -11.9839
            7   N1b N    19.0041  -11.9729
            8   C1b C    20.2127  -12.6706
            9   C1b C    21.3983  -11.9859
            10  N1y N    22.5957  -12.6771
            11  C1x C    22.5958  -14.0895
            12  C1x C    23.8117  -14.7914
            13  C1z C    25.0275  -14.0893
            14  C1x C    25.0273  -12.6768
            15  C1x C    23.8114  -11.9750
            16  O2a O    26.2411  -13.3884
            17  C1b C    27.4396  -14.0803
            18  C8y C    25.0277  -15.4938
            19  C8x C    23.8099  -16.1970
            20  C8x C    23.8101  -17.6010
            21  C8x C    25.0260  -18.3027
            22  C8x C    26.2437  -17.5996
            23  C8x C    26.2436  -16.1956
            24  C1b C    28.6303  -13.3928
            25  N1c N    29.8250  -14.0825
            26  C1b C    31.0176  -13.3939
            27  C1b C    29.8252  -15.4935
            28  C1a C    32.2114  -14.0831
            29  C1a C    31.0210  -16.1839
            30  C1y C    35.9640  -15.8031
            31  N1b N    35.9640  -14.4866
            32  C1x C    34.8355  -16.4144
            33  C1x C    37.0925  -16.4144
            34  S4a S    37.5157  -13.4992
            35  C1x C    34.8355  -17.7781
            36  C1x C    37.0925  -17.7781
            37  O1d O    38.0331  -14.7687
            38  O3c O    38.8323  -12.8408
            39  O3c O    36.9045  -12.0885
            40  C1x C    35.9640  -18.4364
            41  C1y C    35.9640  -15.8031
            42  N1b N    35.9640  -14.4866
            43  S4a S    37.5157  -13.4992
            44  O1d O    38.0331  -14.7687
            45  O3c O    38.8323  -12.8408
            46  O3c O    36.9045  -12.0885
            47  C1x C    34.8355  -16.4144
            48  C1x C    34.8355  -17.7781
            49  C1x C    35.9640  -18.4364
            50  C1x C    37.0925  -17.7781
            51  C1x C    37.0925  -16.4144
BOND        53
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17   13  16 1
            18   16  17 1
            19   13  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   17  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 1
            30   26  28 1
            31   27  29 1
            32   30  31 1
            33   30  32 1
            34   30  33 1
            35   31  34 1
            36   32  35 1
            37   33  36 1
            38   34  37 1
            39   34  38 2
            40   34  39 2
            41   35  40 1
            42   36  40 1
            43   41  42 1
            44   41  47 1
            45   41  51 1
            46   42  43 1
            47   47  48 1
            48   51  50 1
            49   43  44 1
            50   43  45 2
            51   43  46 2
            52   48  49 1
            53   50  49 1


entry: D03763
name: --- - Pivopril (USAN)
formula: C16H27NO4S
activity: Antihypertensive
remark: Therapeutic category: 2144
kcf:
ATOM        22
            1   N1c N    36.5006  -19.3359
            2   C5a C    35.2395  -20.0365
            3   C1c C    34.0485  -19.3359
            4   O5a O    35.2395  -21.4377
            5   C1b C    32.8576  -20.0365
            6   C1a C    34.0485  -17.9348
            7   S2a S    31.5965  -19.3359
            8   C5a C    30.4055  -20.1066
            9   O5a O    30.4055  -21.5077
            10  C1b C    37.7023  -20.0564
            11  C1y C    36.4537  -17.9350
            12  C6a C    38.9272  -19.3760
            13  O6a O    40.1610  -20.1153
            14  O6a O    38.9502  -18.0048
            15  C1x C    37.5851  -17.1409
            16  C1x C    37.1796  -15.8194
            17  C1x C    35.7974  -15.7968
            18  C1x C    35.3489  -17.1043
            19  C1d C    29.1747  -19.4370
            20  C1a C    27.9613  -18.7364
            21  C1a C    29.8753  -18.2235
            22  C1a C    28.4741  -20.6504
BOND        22
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 1
            5     3   6 1 #Up
            6     5   7 1
            7     7   8 1
            8     8   9 2
            9     1  10 1
            10    1  11 1
            11   10  12 1
            12   12  13 1
            13   12  14 2
            14   11  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   11  18 1
            19    8  19 1
            20   19  20 1
            21   19  21 1
            22   19  22 1


entry: D03764
name: --- - Diapamide (USAN)
formula: C9H11ClN2O3S
activity: Diuretic; Antihypertensive
kcf:
ATOM        16
            1   C8y C    34.0322  -16.8252
            2   C8x C    34.0322  -18.2100
            3   C8x C    32.8344  -16.1298
            4   C8x C    32.8344  -18.8994
            5   C8y C    31.6305  -16.8252
            6   C8y C    31.6305  -18.2100
            7   X   Cl   30.4386  -18.8994
            8   C5a C    35.2669  -16.1141
            9   N1b N    36.4776  -16.8147
            10  C1a C    37.6622  -16.1323
            11  O5a O    35.2682  -14.7270
            12  S4a S    30.4144  -16.1234
            13  N1b N    29.1871  -16.8328
            14  O3c O    31.4043  -15.1334
            15  O3c O    29.4244  -15.1334
            16  C1a C    27.9624  -16.1269
BOND        16
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     6   7 1
            7     5   6 2
            8     1   8 1
            9     8   9 1
            10    9  10 1
            11    8  11 2
            12    5  12 1
            13   12  13 1
            14   12  14 2
            15   12  15 2
            16   13  16 1


entry: D03765
name: --- - Spirapril hydrochloride (USAN) - Renormax (TN)
formula: C22H30N2O5S2. HCl
activity: Enzyme inhibitor [angiotensin-converting]
remark: Therapeutic category: 2144
kcf:
ATOM        32
            1   N1y N    36.0500  -19.6700
            2   C1x C    37.3800  -20.2300
            3   C1y C    36.2600  -18.2700
            4   C5a C    34.8600  -20.3700
            5   C1z C    38.2900  -19.1800
            6   C1x C    37.5900  -17.9200
            7   C6a C    36.1900  -16.8700
            8   C1c C    33.6700  -19.6700
            9   O5a O    34.8600  -21.7700
            10  O6a O    37.4500  -16.1000
            11  O6a O    35.0000  -16.1700
            12  N1b N    32.4100  -20.3700
            13  C1a C    33.6700  -18.2700
            14  C1c C    31.2200  -19.6700
            15  C7a C    31.2200  -18.2700
            16  C1b C    30.0300  -20.3700
            17  O7a O    32.4100  -17.5700
            18  O7a O    30.0300  -17.5700
            19  C1b C    28.7700  -19.6700
            20  C1b C    32.4100  -16.1700
            21  C8y C    27.5800  -20.3700
            22  C1a C    31.2200  -15.4700
            23  S2x S    38.9900  -20.3700
            24  C1x C    40.3900  -20.0900
            25  C1x C    40.5300  -18.6900
            26  S2x S    39.2000  -18.1300
            27  C8x C    26.3619  -19.6799
            28  C8x C    25.1552  -20.3897
            29  C8x C    25.0966  -21.7897
            30  C8x C    26.3847  -22.4798
            31  C8x C    27.5914  -21.7700
            32  X   Cl   44.5200  -19.9500
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     4   9 2
            9     7  10 1
            10    7  11 2
            11    8  12 1
            12    8  13 1 #Up
            13   12  14 1
            14   14  15 1 #Up
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   17  20 1
            20   19  21 1
            21   20  22 1
            22    5   6 1
            23    5  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27    5  26 1
            28   21  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   21  31 1


entry: D03766
name: --- - Diaplasinin (USAN)
formula: C32H31N5O
activity: Treatment of fibrinolytic impairment diseases
kcf:
ATOM        38
            1   C8x C    19.9899  -16.3807
            2   C8x C    19.9899  -14.9758
            3   C8x C    21.1840  -14.2734
            4   C8y C    22.4484  -14.9758
            5   C8y C    22.4484  -16.3807
            6   C8x C    21.1840  -17.0831
            7   C8y C    23.7830  -14.5544
            8   C8y C    24.5557  -15.6782
            9   N4y N    23.7830  -16.8021
            10  C8y C    25.9605  -15.6782
            11  C8x C    26.6629  -14.4841
            12  C8y C    28.0678  -14.4841
            13  C8y C    28.7702  -15.6782
            14  C8x C    28.0678  -16.8724
            15  C8x C    26.6629  -16.8724
            16  C8x C    28.7702  -13.2198
            17  C8x C    30.1750  -13.2198
            18  C8y C    30.8774  -14.4841
            19  C8x C    30.1750  -15.6782
            20  O2a O    32.2823  -14.4841
            21  C1b C    32.9847  -13.2900
            22  C8y C    34.3895  -13.2900
            23  N5x N    35.2324  -12.1661
            24  N5x N    36.4968  -12.5876
            25  N5x N    36.4968  -13.9222
            26  N4x N    35.2324  -14.4139
            27  C1b C    23.7830  -13.1544
            28  C1b C    23.7830  -18.2021
            29  C8y C    22.5843  -18.8943
            30  C1b C    22.5857  -12.4632
            31  C1b C    21.3930  -13.1520
            32  C1b C    20.2043  -12.4657
            33  C1a C    19.0137  -13.1533
            34  C8x C    21.3937  -18.2068
            35  C8x C    20.1812  -18.9067
            36  C8x C    20.1811  -20.3067
            37  C8x C    21.3717  -20.9942
            38  C8x C    22.5842  -20.2943
BOND        43
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   12  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   13  19 1
            23   18  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 2
            27   23  24 1
            28   24  25 2
            29   25  26 1
            30   22  26 1
            31    7  27 1
            32    9  28 1
            33   28  29 1
            34   27  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   29  34 2
            39   34  35 1
            40   35  36 2
            41   36  37 1
            42   37  38 2
            43   29  38 1


entry: D03767
name: --- - Zofenopril calcium (USAN) - Zoprace (TN)
formula: (C22H22NO4S2)2. Ca
activity: Enzyme inhibitor [angiotensin-converting]
remark: Therapeutic category: 2144
kcf:
ATOM        59
            1   N1y N    24.3545  -18.2603
            2   C1x C    25.6790  -18.8180
            3   C1y C    24.5636  -16.8661
            4   C5a C    23.1694  -18.9574
            5   C1y C    26.5853  -17.7723
            6   C1x C    25.8882  -16.5175
            7   C6a C    24.4939  -15.4719
            8   C1c C    21.9843  -18.2603
            9   O5a O    23.1694  -20.3517
            10  O0  O    25.7487  -14.7051 #-
            11  O6a O    23.3088  -14.7748
            12  C1b C    20.7295  -18.9574
            13  C1a C    21.9843  -16.8661
            14  S2a S    27.9720  -17.8464
            15  S2a S    19.5221  -18.2603
            16  C5a C    18.3146  -18.9574
            17  C8y C    17.1072  -18.2603
            18  O5a O    18.3146  -20.3515
            19  C8x C    17.1072  -16.8661
            20  C8x C    15.8998  -16.1690
            21  C8x C    14.6923  -16.8661
            22  C8x C    14.6923  -18.2603
            23  C8x C    15.8998  -18.9574
            24  C8y C    28.7420  -16.6628
            25  C8x C    30.1420  -16.6628
            26  C8x C    30.8420  -15.4504
            27  C8x C    30.1420  -14.2379
            28  C8x C    28.7420  -14.2379
            29  C8x C    28.0420  -15.4504
            30  Z   Ca   33.2024  -16.8745 #2+
            31  N1y N    24.3545  -18.2603
            32  C1x C    25.6790  -18.8180
            33  C1y C    26.5853  -17.7723
            34  C1x C    25.8882  -16.5175
            35  C1y C    24.5636  -16.8661
            36  C6a C    24.4939  -15.4719
            37  O0  O    25.7487  -14.7051 #-
            38  O6a O    23.3088  -14.7748
            39  S2a S    27.9720  -17.8464
            40  C8y C    28.7420  -16.6628
            41  C8x C    30.1420  -16.6628
            42  C8x C    30.8420  -15.4504
            43  C8x C    30.1420  -14.2379
            44  C8x C    28.7420  -14.2379
            45  C8x C    28.0420  -15.4504
            46  C5a C    23.1694  -18.9574
            47  C1c C    21.9843  -18.2603
            48  C1b C    20.7295  -18.9574
            49  S2a S    19.5221  -18.2603
            50  C5a C    18.3146  -18.9574
            51  C8y C    17.1072  -18.2603
            52  C8x C    17.1072  -16.8661
            53  C8x C    15.8998  -16.1690
            54  C8x C    14.6923  -16.8661
            55  C8x C    14.6923  -18.2603
            56  C8x C    15.8998  -18.9574
            57  O5a O    18.3146  -20.3515
            58  C1a C    21.9843  -16.8661
            59  O5a O    23.1694  -20.3517
BOND        62
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     4   9 2
            9     7  10 1
            10    7  11 2
            11    8  12 1
            12    8  13 1 #Up
            13    5   6 1
            14    5  14 1 #Down
            15   12  15 1
            16   15  16 1
            17   16  17 1
            18   16  18 2
            19   17  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   17  23 1
            25   14  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   24  29 1
            32   31  32 1
            33   31  35 1
            34   31  46 1
            35   32  33 1
            36   35  34 1
            37   35  36 1 #Down
            38   46  47 1
            39   46  59 2
            40   36  37 1
            41   36  38 2
            42   47  48 1
            43   47  58 1 #Up
            44   33  34 1
            45   33  39 1 #Down
            46   48  49 1
            47   49  50 1
            48   50  51 1
            49   50  57 2
            50   51  52 2
            51   52  53 1
            52   53  54 2
            53   54  55 1
            54   55  56 2
            55   51  56 1
            56   39  40 1
            57   40  41 2
            58   41  42 1
            59   42  43 2
            60   43  44 1
            61   44  45 2
            62   40  45 1


entry: D03768
name: --- - Diatrizoate sodium I 125 (USAN)
formula: C11H8I3N2O4. Na
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        21
            1   C8y C    32.7904  -19.7339
            2   C8y C    32.7904  -18.3329
            3   C8y C    34.0047  -20.4344
            4   C8y C    34.0047  -17.6325
            5   X   I    31.5703  -17.6266
            6   C8y C    35.2189  -19.7398
            7   X   I    33.9987  -21.8354
            8   C8y C    35.2189  -18.3388
            9   C6a C    34.0047  -16.2315
            10  N1b N    36.4332  -20.4287
            11  X   I    36.4332  -17.6209
            12  O6a O    32.7904  -15.5310
            13  O0  O    35.2189  -15.5310 #-
            14  C5a C    37.6414  -19.7282
            15  C1a C    38.8498  -20.4227
            16  O5a O    37.6357  -18.3271
            17  N1b N    31.5613  -20.4436
            18  C5a C    30.3722  -19.7571
            19  C1a C    29.1808  -20.4451
            20  O5a O    30.3720  -18.3400
            21  Z   Na   37.4016  -15.4787 #+
BOND        20
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     6  10 1
            10    8  11 1
            11    9  12 2
            12    9  13 1
            13   10  14 1
            14   14  15 1
            15   14  16 2
            16    6   8 2
            17    1  17 1
            18   17  18 1
            19   18  19 1
            20   18  20 2


entry: D03769
name: --- - Enalaprilat (USP) - Vasotec (TN)
formula: C18H24N2O5. 2H2O
activity: Antihypertensive
remark: Therapeutic category: 2144
kcf:
ATOM        27
            1   N1y N    31.6105  -15.9104
            2   C1x C    31.6584  -14.5098
            3   C5a C    30.4236  -16.6086
            4   C1y C    32.9727  -16.3814
            5   C1x C    33.0284  -14.0686
            6   C1c C    29.2367  -15.9104
            7   O5a O    30.4236  -18.0050
            8   C1x C    33.8087  -15.2761
            9   N1b N    28.0498  -16.6086
            10  C1a C    29.3069  -14.5141
            11  C1c C    26.7930  -15.9803
            12  C1b C    25.6061  -16.6784
            13  C6a C    26.7930  -14.5839
            14  C1b C    24.3494  -15.9803
            15  O6a O    25.5363  -13.8857
            16  O6a O    27.9800  -13.8159
            17  C8y C    23.1625  -16.6784
            18  C8x C    21.9423  -15.9872
            19  C8x C    20.7356  -16.6970
            20  C8x C    20.7470  -18.0970
            21  C8x C    21.9672  -18.7883
            22  C8x C    23.1739  -18.0784
            23  C6a C    32.9727  -17.7814
            24  O6a O    31.7589  -18.4822
            25  O6a O    34.1825  -18.4799
            26  O0  O    38.1736  -16.1197
            27  O0  O    38.1736  -16.1197
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     6   9 1
            9     6  10 1 #Up
            10    9  11 1
            11   11  12 1
            12   11  13 1 #Up
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17    5   8 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   17  22 1
            24    4  23 1 #Up
            25   23  24 2
            26   23  25 1


entry: D03770
name: --- - Diatrizoate sodium I 131 (USAN)
formula: C11H8I3N2O4. Na
activity: Radioactive agent
remark: Therapeutic category: 4300
kcf:
ATOM        21
            1   C8y C    20.5913  -18.1125
            2   C8y C    20.5913  -16.7123
            3   C8y C    21.8049  -18.8126
            4   N1b N    19.3778  -18.8126
            5   C8y C    21.8049  -16.0123
            6   X   I    19.3719  -16.0064
            7   C8y C    23.0184  -18.1184
            8   X   I    21.7989  -20.2128
            9   C5a C    18.1642  -18.1242
            10  C8y C    23.0184  -16.7182
            11  C6a C    21.8049  -14.6121
            12  N1b N    24.2320  -18.8069
            13  C1a C    16.9624  -18.8185
            14  O5a O    18.1584  -16.7182
            15  X   I    24.2320  -16.0007
            16  O6a O    20.5913  -13.9120
            17  O0  O    23.0184  -13.9120 #-
            18  C5a C    25.4395  -18.1068
            19  C1a C    26.6472  -18.8009
            20  O5a O    25.4338  -16.7065
            21  Z   Na   25.1998  -13.8598 #+
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    7  12 1
            12    9  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 2
            16   11  17 1
            17   12  18 1
            18   18  19 1
            19   18  20 2
            20    7  10 2


entry: D03771
name: --- - Diaveridine (USAN)
formula: C13H16N4O2
activity: Antibacterial
kcf:
ATOM        19
            1   C8y C     7.0000  -20.9300
            2   C8y C     7.0000  -22.3300
            3   C8x C     8.1900  -23.0300
            4   C8x C     9.4500  -22.3300
            5   C8y C     9.4500  -20.9300
            6   C8x C     8.1900  -20.2300
            7   C8x C    11.8300  -22.3300
            8   C8y C    11.8300  -20.9300
            9   C1b C    10.6400  -20.2300
            10  N5x N    13.0900  -23.0300
            11  C8y C    14.2800  -22.3300
            12  N5x N    14.2800  -20.9300
            13  C8y C    13.0900  -20.2300
            14  O2a O     5.7847  -20.2349
            15  C1a C     4.5963  -20.9277
            16  O2a O     5.7847  -23.0251
            17  C1a C     4.5963  -22.3323
            18  N1a N    13.1072  -18.8301
            19  N1a N    15.4953  -23.0251
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     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    1  14 1
            16   14  15 1
            17    2  16 1
            18   16  17 1
            19   13  18 1
            20   11  19 1


entry: D03772
name: --- - Fosinoprilat (USAN)
formula: C23H34NO5P
activity: Antihypertensive
remark: Therapeutic category: 2144
kcf:
ATOM        30
            1   C8x C    22.8900  -14.6300
            2   C8x C    22.8900  -16.0300
            3   C8x C    24.0800  -16.7300
            4   C8x C    25.3400  -16.0300
            5   C8y C    25.3400  -14.6300
            6   C8x C    24.0800  -13.9300
            7   C1b C    26.5300  -13.9300
            8   C1b C    27.7900  -14.6300
            9   C1b C    28.9800  -13.9300
            10  C1b C    30.1700  -14.6300
            11  P1a P    31.4300  -13.9300
            12  C1b C    32.6200  -14.6300
            13  C5a C    33.8100  -13.9300
            14  N1y N    35.0700  -14.6300
            15  O3b O    31.4300  -12.4600
            16  O5a O    33.8100  -12.5300
            17  C1x C    35.4900  -15.9600
            18  C1y C    36.8900  -15.9600
            19  C1x C    37.3100  -14.6300
            20  C1y C    36.1900  -13.7900
            21  C1y C    37.5900  -17.2200
            22  C1x C    36.8900  -18.4100
            23  C1x C    37.5900  -19.6000
            24  C1x C    38.9900  -19.6000
            25  C1x C    39.6900  -18.4100
            26  C1x C    38.9900  -17.2200
            27  C6a C    36.1900  -12.3900
            28  O6a O    37.3800  -11.6900
            29  O6a O    35.0000  -11.6900
            30  O1c O    31.4300  -15.4700
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   11  15 2
            16   13  16 2
            17   14  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   14  20 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   21  26 1
            28   18  21 1 #Up
            29   20  27 1 #Down
            30   27  28 1
            31   27  29 2
            32   11  30 1


entry: D03773
name: --- - Quinaprilat (USAN)
formula: C23H26N2O5
activity: Antihypertensive; Enzyme inhibitor [angiotensin-converting]
remark: Therapeutic category: 2144
kcf:
ATOM        30
            1   C1x C    38.2900  -20.0200
            2   C8y C    39.4800  -19.3200
            3   N1y N    37.1000  -19.3200
            4   C8y C    39.4800  -17.9200
            5   C8x C    40.7400  -20.0200
            6   C1y C    37.1000  -17.9200
            7   C1x C    38.2900  -17.2200
            8   C8x C    40.7400  -17.2200
            9   C8x C    41.9300  -19.3200
            10  C8x C    41.9300  -17.9200
            11  N1b N    33.4600  -20.0200
            12  C1c C    32.2700  -19.3200
            13  C6a C    32.2700  -17.9200
            14  C1b C    31.0100  -20.0200
            15  O6a O    33.4600  -17.2200
            16  O6a O    31.0100  -17.2200
            17  C1b C    29.8200  -19.3200
            18  C8y C    28.6300  -20.0200
            19  C8x C    28.6300  -21.4200
            20  C8x C    27.3700  -19.3200
            21  C8x C    27.3700  -22.1200
            22  C8x C    26.1800  -20.0200
            23  C8x C    26.1800  -21.4200
            24  C1c C    34.6500  -19.3200
            25  C5a C    35.8400  -20.0200
            26  O5a O    35.8400  -21.4200
            27  C1a C    34.6500  -17.9200
            28  C6a C    37.1000  -16.5200
            29  O6a O    38.2900  -15.7500
            30  O6a O    35.8400  -15.8200
BOND        32
            1     6   7 1
            2     9  10 1
            3     1   2 1
            4     1   3 1
            5    11  12 1
            6    12  13 1 #Up
            7    12  14 1
            8    13  15 1
            9    13  16 2
            10   14  17 1
            11   17  18 1
            12   18  19 1
            13   18  20 2
            14   19  21 2
            15   20  22 1
            16   21  23 1
            17   22  23 2
            18    2   4 2
            19   11  24 1
            20    2   5 1
            21   24  25 1
            22   25   3 1
            23    3   6 1
            24   25  26 2
            25    4   7 1
            26   24  27 1 #Up
            27    4   8 1
            28    6  28 1 #Down
            29    5   9 2
            30   28  29 1
            31    8  10 2
            32   28  30 2


entry: D03774
name: --- - Diaziquone (USAN)
formula: C16H20N4O6
activity: Antineoplastic
kcf:
ATOM        26
            1   C2y C    18.8583  -18.0472
            2   C2y C    18.8583  -16.6471
            3   C5x C    20.0737  -15.9471
            4   C2y C    21.2819  -16.6471
            5   C2y C    21.2819  -18.0472
            6   C5x C    20.0737  -18.7471
            7   O5x O    20.0755  -20.1471
            8   O5x O    20.0755  -14.5471
            9   N1y N    17.6464  -15.9466
            10  N1y N    22.4949  -18.7463
            11  N1b N    17.6464  -18.7478
            12  N1b N    22.4949  -15.9481
            13  C7a C    23.7068  -16.6490
            14  O7a O    24.9198  -15.9498
            15  C1b C    26.1316  -16.6508
            16  C1a C    27.3445  -15.9517
            17  C1x C    23.8919  -18.7427
            18  C1x C    23.1884  -19.9579
            19  C1x C    16.2437  -15.9488
            20  C1x C    16.9486  -14.7345
            21  O7a O    23.7056  -18.0598
            22  C7a C    16.4341  -18.0488
            23  O7a O    15.2293  -18.7454
            24  O7a O    16.4334  -16.6601
            25  C1b C    14.0458  -18.0631
            26  C1a C    12.8534  -18.7527
BOND        28
            1     5   6 1
            2     4  12 1
            3     6   1 1
            4    12  13 1
            5    13  14 1
            6     6   7 2
            7    14  15 1
            8     1   2 2
            9    15  16 1
            10    3   8 2
            11    2   3 1
            12    2   9 1
            13    3   4 1
            14    5  10 1
            15   10  17 1
            16   10  18 1
            17   18  17 1
            18    4   5 2
            19    1  11 1
            20    9  19 1
            21    9  20 1
            22   20  19 1
            23   13  21 2
            24   11  22 1
            25   22  23 1
            26   22  24 2
            27   23  25 1
            28   25  26 1


entry: D03775
name: --- - Spiraprilat (USAN)
formula: C20H26N2O5S2
activity: Enzyme inhibitor [angiotensin-converting]
remark: Therapeutic category: 2144
kcf:
ATOM        29
            1   N1y N    35.2800  -19.3200
            2   C1x C    36.6100  -19.8800
            3   C1y C    35.4900  -17.9200
            4   C5a C    34.0900  -20.0200
            5   C1z C    37.5200  -18.8300
            6   C1x C    36.8200  -17.5700
            7   C6a C    35.4200  -16.5200
            8   C1c C    32.9000  -19.3200
            9   O5a O    34.0900  -21.4200
            10  O6a O    36.6800  -15.7500
            11  O6a O    34.2300  -15.8200
            12  N1b N    31.6400  -20.0200
            13  C1a C    32.9000  -17.9200
            14  C1c C    30.4500  -19.3200
            15  C6a C    30.4500  -17.9200
            16  C1b C    29.3300  -20.0200
            17  O6a O    31.6400  -17.2200
            18  O6a O    29.3300  -17.2200
            19  C1b C    28.0700  -19.3200
            20  C8y C    26.8800  -20.0200
            21  S2x S    38.2200  -20.0200
            22  C1x C    39.6200  -19.7400
            23  C1x C    39.7600  -18.3400
            24  S2x S    38.4300  -17.7800
            25  C8x C    25.6200  -19.3200
            26  C8x C    24.4300  -20.0200
            27  C8x C    24.3600  -21.4200
            28  C8x C    25.6900  -22.1200
            29  C8x C    26.8800  -21.4200
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     4   9 2
            9     7  10 1
            10    7  11 2
            11    8  12 1
            12    8  13 1 #Up
            13   12  14 1
            14   14  15 1 #Up
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   19  20 1
            20    5   6 1
            21    5  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25    5  24 1
            26   20  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   20  29 1


entry: D03776
name: --- - Zofenoprilat arginine (USAN)
formula: C15H19NO3S2. C6H14N4O2
activity: Antihypertensive
remark: Therapeutic category: 2144
kcf:
ATOM        33
            1   N1y N    16.7773  -18.2717
            2   C1x C    18.1026  -18.8298
            3   C1y C    16.9865  -16.8766
            4   C5a C    15.5914  -18.9693
            5   C1y C    19.0094  -17.7834
            6   C1x C    18.3119  -16.5278
            7   C6a C    16.9168  -15.4815
            8   C1c C    14.4056  -18.2717
            9   O5a O    15.5914  -20.3644
            10  O6a O    18.1724  -14.7142
            11  O6a O    15.7309  -14.7840
            12  C1b C    13.1500  -18.9693
            13  C1a C    14.4056  -16.8766
            14  S2a S    20.4045  -17.9230
            15  S1a S    11.9641  -18.2717
            16  C8y C    21.2108  -16.8006
            17  C8x C    22.6108  -16.8006
            18  C8x C    23.3108  -15.5882
            19  C8x C    22.6108  -14.3758
            20  C8x C    21.2108  -14.3758
            21  C8x C    20.5108  -15.5882
            22  C1b C    28.4195  -17.8569
            23  C1b C    29.6751  -18.5544
            24  C1c C    27.2337  -18.4847
            25  C1b C    30.8610  -17.8569
            26  C6a C    26.0479  -17.7871
            27  N1a N    27.2337  -19.8798
            28  N1b N    32.0468  -18.5544
            29  O6a O    24.8620  -18.4149
            30  O6a O    26.0479  -16.3920
            31  C2c C    33.3024  -17.9266
            32  N1a N    34.5580  -18.6242
            33  N2a N    33.3024  -16.4618
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     4   9 2
            9     7  10 1
            10    7  11 2
            11    8  12 1
            12    8  13 1 #Up
            13    5   6 1
            14    5  14 1 #Down
            15   12  15 1
            16   14  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23   22  23 1
            24   22  24 1
            25   23  25 1
            26   24  26 1
            27   24  27 1 #Down
            28   25  28 1
            29   26  29 1
            30   26  30 2
            31   28  31 1
            32   31  32 1
            33   31  33 2


entry: D03777
name: --- - Dibenzothiophene (USAN)
formula: C12H8S
activity: Keratolytic
kcf:
ATOM        13
            1   C8y C    16.3800  -17.0100
            2   C8y C    17.7800  -17.0100
            3   C8y C    18.2126  -15.6785
            4   S2x S    17.0800  -14.8556
            5   C8y C    15.9474  -15.6785
            6   C8x C    18.7168  -18.0504
            7   C8x C    20.0862  -17.7593
            8   C8x C    20.5188  -16.4278
            9   C8x C    19.5820  -15.3874
            10  C8x C    14.5780  -15.3874
            11  C8x C    13.6412  -16.4278
            12  C8x C    14.0738  -17.7593
            13  C8x C    15.4432  -18.0504
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    3   9 2
            11    5  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    1  13 2


entry: D03778
name: --- - Fadrozole hydrochloride hydrate (JAN) - Afema (TN)
formula: (C14H13N3. HCl)2. H2O
remark: Therapeutic category: 4291
kcf:
ATOM        37
            1   C1x C    31.2131  -17.9636
            2   C1x C    32.6125  -17.9636
            3   C1x C    33.3122  -16.7517
            4   C1y C    30.5134  -16.7517
            5   N4y N    31.2131  -15.5399
            6   C8y C    32.6159  -15.5439
            7   C8x C    33.0532  -14.2110
            8   N5x N    31.9206  -13.3834
            9   C8x C    30.7834  -14.2046
            10  C8y C    29.1160  -16.7552
            11  C8x C    28.4163  -15.5434
            12  C8x C    27.0169  -15.5433
            13  C8y C    26.3172  -16.7552
            14  C8x C    27.0169  -17.9672
            15  C8x C    28.4163  -17.9672
            16  C3b C    24.9178  -16.7552
            17  N3a N    23.5164  -16.7479
            18  X   Cl   35.8849  -15.8362
            19  O0  O    40.2032  -15.7656
            20  C1x C    31.2131  -17.9636
            21  C1y C    30.5134  -16.7517
            22  N4y N    31.2131  -15.5399
            23  C8y C    32.6159  -15.5439
            24  C8x C    33.0532  -14.2110
            25  N5x N    31.9206  -13.3834
            26  C8x C    30.7834  -14.2046
            27  C1x C    33.3122  -16.7517
            28  C1x C    32.6125  -17.9636
            29  C8y C    29.1160  -16.7552
            30  C8x C    28.4163  -15.5434
            31  C8x C    27.0169  -15.5433
            32  C8y C    26.3172  -16.7552
            33  C8x C    27.0169  -17.9672
            34  C8x C    28.4163  -17.9672
            35  C3b C    24.9178  -16.7552
            36  N3a N    23.5164  -16.7479
            37  X   Cl   35.8849  -15.8362
BOND        38
            1     2   3 1
            2    16  17 3
            3     5   6 1
            4     6   7 2
            5     7   8 1
            6     8   9 2
            7     9   5 1
            8     3   6 1
            9     5   4 1
            10    4   1 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  10 1
            17    4  10 1
            18    1   2 1
            19   13  16 1
            20   28  27 1
            21   35  36 3
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   26  22 1
            27   27  23 1
            28   22  21 1
            29   21  20 1
            30   29  30 2
            31   30  31 1
            32   31  32 2
            33   32  33 1
            34   33  34 2
            35   34  29 1
            36   21  29 1
            37   20  28 1
            38   32  35 1


entry: D03779
name: --- - Dibotermin alfa (USAN)
activity:
Osteoinductive agent for use in orthopaedic surgery, dental/craniofacial surgery, or spine surgery, as an adjunct to standard care or as a replacement for autogenous bone graft


entry: D03780
name: --- - Dibromsalan (USAN)
formula: C13H9Br2NO2
activity: Disinfectant
kcf:
ATOM        18
            1   C8x C    20.9300  -18.4800
            2   C8x C    20.9300  -19.8800
            3   C8y C    22.1424  -20.5800
            4   C8y C    23.3549  -19.8800
            5   C8x C    23.3549  -18.4800
            6   C8y C    22.1424  -17.7800
            7   O1a O    22.1424  -21.9798
            8   X   Br   22.1424  -16.3802
            9   C5a C    24.5860  -20.5910
            10  N1b N    25.7912  -19.8953
            11  O5a O    24.5857  -21.9799
            12  C8y C    26.9735  -20.5781
            13  C8x C    26.9734  -21.9798
            14  C8x C    28.1858  -22.6799
            15  C8y C    29.3983  -21.9800
            16  C8x C    29.3984  -20.5783
            17  C8x C    28.1860  -19.8782
            18  X   Br   30.6119  -22.6809
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     6   8 1
            9     4   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   15  18 1


entry: D03781
name: --- - Liarozole fumarate (USAN) - Liazal (TN)
formula: (C17H13ClN4)2. (C4H4O4)3
activity: Antipsoriatic
kcf:
ATOM        68
            1   N4y N    27.1723  -17.5761
            2   C1c C    27.1723  -18.9767
            3   C8x C    28.3054  -16.7529
            4   C8x C    27.8726  -15.4209
            5   N5x N    26.4720  -15.4209
            6   C8x C    26.0393  -16.7529
            7   C8y C    25.9594  -19.6770
            8   C8y C    28.3852  -19.6770
            9   C8x C    24.7634  -18.9863
            10  C8y C    23.5504  -19.6865
            11  C8x C    23.5502  -21.0871
            12  C8x C    24.7462  -21.7778
            13  C8x C    25.9592  -21.0776
            14  C8x C    28.3852  -21.0774
            15  C8x C    29.5982  -21.7777
            16  C8y C    30.8111  -21.0774
            17  C8y C    30.8111  -19.6770
            18  C8x C    29.5982  -18.9767
            19  X   Cl   22.3187  -18.9752
            20  N5x N    32.1430  -21.5102
            21  C8x C    32.9661  -20.3772
            22  N4x N    32.1430  -19.2442
            23  O6a O    38.7971  -19.7470
            24  C6a C    40.0100  -19.0468
            25  C2b C    41.2230  -19.7470
            26  C2b C    42.4359  -19.0468
            27  C6a C    43.6488  -19.7470
            28  O6a O    44.8618  -19.0468
            29  O6a O    40.0100  -17.6464
            30  O6a O    43.6488  -21.1475
            31  N4y N    27.1723  -17.5761
            32  C1c C    27.1723  -18.9767
            33  C8y C    25.9594  -19.6770
            34  C8x C    24.7634  -18.9863
            35  C8y C    23.5504  -19.6865
            36  C8x C    23.5502  -21.0871
            37  C8x C    24.7462  -21.7778
            38  C8x C    25.9592  -21.0776
            39  X   Cl   22.3187  -18.9752
            40  C8y C    28.3852  -19.6770
            41  C8x C    28.3852  -21.0774
            42  C8x C    29.5982  -21.7777
            43  C8y C    30.8111  -21.0774
            44  C8y C    30.8111  -19.6770
            45  C8x C    29.5982  -18.9767
            46  N4x N    32.1430  -19.2442
            47  C8x C    32.9661  -20.3772
            48  N5x N    32.1430  -21.5102
            49  C8x C    28.3054  -16.7529
            50  C8x C    27.8726  -15.4209
            51  N5x N    26.4720  -15.4209
            52  C8x C    26.0393  -16.7529
            53  O6a O    38.7971  -19.7470
            54  C6a C    40.0100  -19.0468
            55  C2b C    41.2230  -19.7470
            56  C2b C    42.4359  -19.0468
            57  C6a C    43.6488  -19.7470
            58  O6a O    44.8618  -19.0468
            59  O6a O    43.6488  -21.1475
            60  O6a O    40.0100  -17.6464
            61  O6a O    38.7971  -19.7470
            62  C6a C    40.0100  -19.0468
            63  C2b C    41.2230  -19.7470
            64  C2b C    42.4359  -19.0468
            65  C6a C    43.6488  -19.7470
            66  O6a O    44.8618  -19.0468
            67  O6a O    43.6488  -21.1475
            68  O6a O    40.0100  -17.6464
BOND        71
            1     1   2 1
            2     1   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     2   8 1
            9     7   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    7  13 1
            15    8  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20    8  18 1
            21   10  19 1
            22   16  20 1
            23   20  21 2
            24   21  22 1
            25   17  22 1
            26   31  32 1
            27   31  49 1
            28   49  50 2
            29   50  51 1
            30   51  52 2
            31   31  52 1
            32   32  33 1
            33   32  40 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   36  37 1
            38   37  38 2
            39   33  38 1
            40   40  41 2
            41   41  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   40  45 1
            46   35  39 1
            47   43  48 1
            48   48  47 2
            49   47  46 1
            50   44  46 1
            51   23  24 1
            52   24  25 1
            53   25  26 2
            54   26  27 1
            55   27  28 1
            56   24  29 2
            57   27  30 2
            58   53  54 1
            59   54  55 1
            60   55  56 2
            61   56  57 1
            62   57  58 1
            63   54  60 2
            64   57  59 2
            65   61  62 1
            66   62  63 1
            67   63  64 2
            68   64  65 1
            69   65  66 1
            70   62  68 2
            71   65  67 2


entry: D03782
name: --- - Dibutyl sebacate (NF) - DBS
formula: C18H34O4
activity: Pharmaceutic aid [plasticizer]
kcf:
ATOM        22
            1   C1a C    16.4502  -15.3304
            2   C1b C    17.6626  -14.6304
            3   C1b C    18.8751  -15.3304
            4   C1b C    20.0875  -14.6304
            5   O7a O    21.3000  -15.3304
            6   C7a C    22.5125  -14.6304
            7   C1b C    23.7249  -15.3304
            8   C1b C    24.9374  -14.6304
            9   C7a C    26.4299  -15.3304
            10  O7a O    27.6423  -14.6304
            11  C1b C    28.8548  -15.3304
            12  C1b C    30.0673  -14.6304
            13  C1b C    31.2797  -15.3304
            14  C1a C    32.4922  -14.6304
            15  O7a O    22.5125  -13.2306
            16  O7a O    26.4894  -16.7297
            17  C1b C    23.7249  -15.3304
            18  C1b C    24.9374  -14.6304
            19  C1b C    23.7249  -15.3304
            20  C1b C    24.9374  -14.6304
            21  C1b C    23.7249  -15.3304
            22  C1b C    24.9374  -14.6304
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     9  10 1
            7    10  11 1
            8    11  12 1
            9    12  13 1
            10   13  14 1
            11    6  15 2
            12    9  16 2
            13    6   7 1
            14    7   8 1
            15    8  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22   9 1


entry: D03783
name: --- - Oxycodone terephthalate (USP)
formula: (C18H21NO4)2. C8H6O4
activity: Analgesic [narcotic]
comment: Component of Percodan (TN)
kcf:
ATOM        58
            1   C8y C    18.5189   -7.7038
            2   C6a C    18.5189   -9.1090
            3   C8x C    17.3246   -7.0013
            4   C8x C    19.7133   -7.0013
            5   O6a O    19.7836   -9.8116
            6   O6a O    17.3246   -9.8116
            7   C8x C    17.3246   -5.5961
            8   C8x C    19.7133   -5.5961
            9   C8y C    18.5189   -4.9638
            10  C6a C    18.5189   -3.5586
            11  O6a O    19.7836   -2.8560
            12  O6a O    17.3246   -2.8560
            13  C1z C     7.4981   -7.5172
            14  C8y C     7.4921   -6.1668
            15  C1z C     8.6630   -8.1838
            16  C1y C     6.3447   -8.1954
            17  C8y C     6.3272   -5.4945
            18  C8y C     8.6572   -5.4945
            19  C1y C     9.8223   -7.4999
            20  C1x C     8.6687   -9.5168
            21  O1a O     9.8223   -9.1229
            22  O2x O     5.6433   -6.8626
            23  C5x C     6.3505   -9.5284
            24  C8y C     6.3272   -4.1499
            25  C1x C     9.8223   -6.1609
            26  C8x C     8.6572   -4.1499
            27  N1y N    10.9813   -8.1721
            28  C1x C     7.5154  -10.1950
            29  O5x O     5.1739  -10.1891
            30  C8x C     7.4921   -3.4777
            31  O2a O     5.1566   -3.4777
            32  C1a C    12.3259   -8.1721
            33  C1x C    10.9813   -6.8498
            34  C1x C     8.7035   -6.8912
            35  C1a C     3.9257   -4.1923
            36  C1z C     7.4981   -7.5172
            37  C8y C     7.4921   -6.1668
            38  C8y C     6.3272   -5.4945
            39  C8y C     6.3272   -4.1499
            40  C8x C     7.4921   -3.4777
            41  C8x C     8.6572   -4.1499
            42  C8y C     8.6572   -5.4945
            43  C1x C     9.8223   -6.1609
            44  C1y C     9.8223   -7.4999
            45  C1z C     8.6630   -8.1838
            46  C1x C     8.6687   -9.5168
            47  C1x C     7.5154  -10.1950
            48  C5x C     6.3505   -9.5284
            49  C1y C     6.3447   -8.1954
            50  O2x O     5.6433   -6.8626
            51  O5x O     5.1739  -10.1891
            52  O1a O     9.8223   -9.1229
            53  N1y N    10.9813   -8.1721
            54  C1a C    12.3259   -8.1721
            55  C1x C    10.9813   -6.8498
            56  C1x C     8.7035   -6.8912
            57  O2a O     5.1566   -3.4777
            58  C1a C     3.9257   -4.1923
BOND        66
            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     4   8 1
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    8   9 2
            13   13  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   15  20 1
            20   15  21 1 #Up
            21   16  22 1 #Down
            22   16  23 1
            23   17  24 2
            24   18  25 1
            25   18  26 1
            26   19  27 1 #Up
            27   20  28 1
            28   23  29 2
            29   24  30 1
            30   24  31 1
            31   27  32 1
            32   17  22 1
            33   19  25 1
            34   23  28 1
            35   26  30 2
            36   27  33 1
            37   13  34 1 #Up
            38   34  33 1
            39   31  35 1
            40   36  37 1
            41   36  45 1
            42   36  49 1
            43   37  38 1
            44   37  42 2
            45   45  44 1
            46   45  46 1
            47   45  52 1 #Up
            48   49  50 1 #Down
            49   49  48 1
            50   38  39 2
            51   42  43 1
            52   42  41 1
            53   44  53 1 #Up
            54   46  47 1
            55   48  51 2
            56   39  40 1
            57   39  57 1
            58   53  54 1
            59   38  50 1
            60   44  43 1
            61   48  47 1
            62   41  40 2
            63   53  55 1
            64   36  56 1 #Up
            65   56  55 1
            66   57  58 1


entry: D03784
name: --- - Liarozole hydrochloride (USAN)
formula: C17H13ClN4. HCl
activity: Antineoplastic
kcf:
ATOM        23
            1   N4y N    31.4006  -17.6661
            2   C1c C    31.4006  -19.0682
            3   C8x C    32.5222  -16.8249
            4   C8x C    32.1016  -15.4929
            5   N5x N    30.6995  -15.4929
            6   C8x C    30.2789  -16.8249
            7   C8y C    30.2088  -19.7692
            8   C8y C    32.6625  -19.7692
            9   C8x C    29.0170  -19.0682
            10  C8y C    27.7552  -19.7692
            11  C8x C    27.7552  -21.1713
            12  C8x C    29.0170  -21.8724
            13  C8x C    30.2088  -21.1713
            14  C8x C    32.6625  -21.1713
            15  C8x C    33.8542  -21.8724
            16  C8y C    35.0460  -21.1713
            17  C8y C    35.0460  -19.7692
            18  C8x C    33.8542  -19.0682
            19  X   Cl   26.5634  -19.0682
            20  N5x N    36.3780  -21.5919
            21  C8x C    37.2192  -20.4703
            22  N4x N    36.3780  -19.3486
            23  X   Cl   41.5657  -19.7692
BOND        25
            1     1   2 1
            2     1   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     2   8 1
            9     7   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    7  13 1
            15    8  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20    8  18 1
            21   10  19 1
            22   16  20 1
            23   20  21 2
            24   21  22 1
            25   17  22 1


entry: D03785
name: --- - Dichloralphenazone (USP)
formula: C11H12N2O. (C2H3Cl3O2)2
activity: Sedative-hypnotic
comment: Component of Isocom (TN)
kcf:
ATOM        28
            1   C1c C    31.6921  -15.2510
            2   C1d C    33.0914  -15.2510
            3   O1a O    30.9924  -14.0391
            4   O1a O    30.9924  -16.4628
            5   X   Cl   33.7911  -16.4628
            6   X   Cl   33.7911  -14.0391
            7   X   Cl   34.4907  -15.2510
            8   C8x C    21.4900  -16.1000
            9   C8x C    21.4900  -17.5000
            10  C8x C    22.7024  -18.2000
            11  C8x C    23.9149  -17.5000
            12  C8y C    23.9149  -16.1000
            13  C8x C    22.7024  -15.4000
            14  N4y N    25.1460  -15.3890
            15  N4y N    25.1460  -13.9890
            16  C1a C    23.9265  -13.2848
            17  C8y C    26.4775  -15.8216
            18  C8x C    27.3004  -14.6890
            19  C8y C    26.4775  -13.5564
            20  C1a C    26.9013  -12.2514
            21  O5x O    26.9079  -17.1464
            22  C1c C    31.6921  -15.2510
            23  C1d C    33.0914  -15.2510
            24  X   Cl   33.7911  -16.4628
            25  X   Cl   33.7911  -14.0391
            26  X   Cl   34.4907  -15.2510
            27  O1a O    30.9924  -14.0391
            28  O1a O    30.9924  -16.4628
BOND        27
            1     8   9 2
            2     9  10 1
            3    10  11 2
            4    11  12 1
            5    12  13 2
            6     8  13 1
            7    12  14 1
            8    14  15 1
            9    15  16 1
            10   14  17 1
            11   17  18 1
            12   18  19 2
            13   15  19 1
            14   19  20 1
            15   17  21 2
            16    1   2 1
            17    1   3 1
            18    1   4 1
            19    2   5 1
            20    2   6 1
            21    2   7 1
            22   22  23 1
            23   22  27 1
            24   22  28 1
            25   23  24 1
            26   23  25 1
            27   23  26 1


entry: D03786
name: --- - Vorozole (USAN) - Rivizor (TN)
formula: C16H13ClN6
activity: Antineoplastic
kcf:
ATOM        23
            1   C8x C    29.8946  -19.6757
            2   C8y C    29.8946  -21.0761
            3   C8x C    31.1074  -21.7763
            4   C8x C    32.3202  -21.0761
            5   C8y C    32.3202  -19.6757
            6   C8x C    31.1074  -18.9756
            7   C1c C    33.5517  -18.9645
            8   C8y C    34.7572  -19.6604
            9   N4y N    33.5514  -17.5753
            10  X   Cl   28.6819  -21.7763
            11  C8x C    34.7576  -21.0757
            12  C8x C    35.9707  -21.7756
            13  C8y C    37.1832  -21.0750
            14  C8y C    37.1827  -19.6596
            15  C8x C    35.9698  -18.9598
            16  N5x N    38.5295  -21.5120
            17  N5x N    39.3610  -20.3666
            18  N4y N    38.5287  -19.2218
            19  C1a C    38.9488  -17.9268
            20  N5x N    34.6739  -16.7593
            21  C8x C    34.2447  -15.4397
            22  N5x N    32.8570  -15.4400
            23  C8x C    32.4285  -16.7598
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     7   9 1 #Down
            10    2  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   13  16 1
            18   16  17 2
            19   17  18 1
            20   14  18 1
            21   18  19 1
            22    9  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26    9  23 1


entry: D03787
name: --- - Nepicastat hydrochloride (USAN) - Nepicastat hydrochloride monohydrate
formula: C14H15F2N3S. HCl. H2O
activity: Treatment of congestive heart failure [dopamine beta-hydroxylase inhibitor]
kcf:
ATOM        22
            1   C8y C    21.6300  -17.6400
            2   C8x C    21.6300  -19.0400
            3   C8y C    22.8424  -19.7400
            4   C8y C    24.0549  -19.0400
            5   C8y C    24.0549  -17.6400
            6   C8x C    22.8424  -16.9400
            7   C1x C    25.2673  -19.7400
            8   C1x C    26.4797  -19.0400
            9   C1y C    26.4797  -17.6400
            10  C1x C    25.2673  -16.9400
            11  N4y N    27.6773  -16.9485
            12  C8y C    28.9303  -17.5063
            13  C8x C    29.8481  -16.4869
            14  N4x N    29.1623  -15.2991
            15  C8y C    27.8206  -15.5843
            16  S0  S    26.7765  -14.6441
            17  C1b C    29.2192  -18.8654
            18  N1a N    30.5337  -19.2932
            19  X   F    22.8424  -21.1398
            20  X   F    20.4176  -16.9400
            21  X   Cl   35.4200  -18.5500
            22  O0  O    40.0400  -18.4800
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1 #Up
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 1
            17   11  15 1
            18   15  16 2
            19   12  17 1
            20   17  18 1
            21    3  19 1
            22    1  20 1


entry: D03788
name: --- - Sivelestat (USAN)
formula: C20H22N2O7S
activity: Treatment of acute lung injury; Acute respiratory distress syndrome [elastase inhibitor]
remark: Therapeutic category: 3999
kcf:
ATOM        30
            1   C8y C    30.5900  -18.2000
            2   S4a S    31.7800  -17.5000
            3   C8x C    30.5900  -19.6000
            4   C8x C    29.4700  -17.5000
            5   N1b N    32.9700  -18.2000
            6   C8x C    29.4700  -20.2300
            7   C8x C    28.2800  -18.2000
            8   C8y C    34.1600  -17.5000
            9   C8y C    28.2800  -19.6000
            10  C8x C    34.1600  -16.1700
            11  C8y C    35.3500  -18.2000
            12  O7a O    27.0900  -20.2300
            13  C8x C    35.3500  -15.4700
            14  C8x C    36.5400  -17.5000
            15  C7a C    25.6900  -19.5300
            16  C8x C    36.5400  -16.1700
            17  C1d C    24.3600  -20.3000
            18  C1a C    24.3600  -21.8400
            19  C1a C    23.0300  -19.5300
            20  C5a C    35.3500  -19.5300
            21  O5a O    34.1600  -20.2300
            22  N1b N    36.5400  -20.2300
            23  C1b C    37.6600  -19.5300
            24  C6a C    38.8500  -20.2300
            25  O6a O    40.0400  -19.5300
            26  O6a O    38.8500  -21.5600
            27  O7a O    25.6900  -17.9900
            28  C1a C    23.0300  -21.0700
            29  O3c O    31.7800  -16.1000
            30  O3c O    31.7800  -18.9000
BOND        31
            1     2   5 1
            2     3   6 2
            3     4   7 1
            4     5   8 1
            5     6   9 1
            6     8  10 1
            7     8  11 2
            8     9  12 1
            9    10  13 2
            10   11  14 1
            11   12  15 1
            12   13  16 1
            13   15  17 1
            14   17  18 1
            15   17  19 1
            16    7   9 2
            17   14  16 2
            18   11  20 1
            19   20  21 2
            20   20  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24    1   2 1
            25   24  26 2
            26    1   3 1
            27   15  27 2
            28    1   4 2
            29   17  28 1
            30    2  29 2
            31    2  30 2


entry: D03789
name: --- - Dichlorodifluoromethane (NF)
formula: CCl2F2
activity: Pharmaceutic aid [aerosol propellant]
kcf:
ATOM        5
            1   X   F    12.3900  -11.8300
            2   C1d C    13.7900  -11.8300
            3   X   Cl   15.1900  -11.8300
            4   X   F    13.7900  -10.4300
            5   X   Cl   13.7900  -13.2300
BOND        4
            1     1   2 1
            2     2   3 1
            3     2   4 1
            4     2   5 1


entry: D03790
name: --- - Dichlorotetrafluoroethane (NF)
formula: C2Cl2F4
activity: Pharmaceutic aid [aerosol propellant]
kcf:
ATOM        8
            1   X   F    20.3700  -17.0100
            2   C1d C    21.7700  -17.0100
            3   C1d C    23.1700  -17.0100
            4   X   F    21.7700  -15.6100
            5   X   Cl   21.7700  -18.4100
            6   X   F    24.5700  -17.0100
            7   X   Cl   23.1700  -15.6100
            8   X   F    23.1700  -18.4100
BOND        7
            1     1   2 1
            2     2   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     3   8 1


