# compounds

entry: C15079
name: --- - 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione
formula: C21H27FO3
kcf:
ATOM        25
            1   C1y C    22.4870  -18.1406
            2   C1z C    21.3683  -17.5054
            3   C1y C    23.5943  -17.4937
            4   C1x C    22.4637  -19.4109
            5   C1z C    20.2728  -18.1523
            6   C1y C    21.3624  -16.2234
            7   C1z C    23.5943  -16.2118
            8   C1x C    25.8204  -17.4996
            9   C1x C    21.3800  -20.0519
            10  C2y C    20.2728  -19.4226
            11  C1x C    19.1715  -17.5230
            12  C1a C    20.2552  -16.6780
            13  C1x C    22.4754  -15.5767
            14  C2y C    24.7189  -15.5708
            15  C2x C    25.8261  -16.2177
            16  C2x C    19.1715  -20.0636
            17  C1x C    18.0876  -18.1523
            18  C5a C    24.7189  -14.3121
            19  C5x C    18.0876  -19.4226
            20  C1a C    25.8087  -13.6945
            21  X   F    21.3683  -18.7583
            22  C1a C    23.5943  -14.8118
            23  O5x O    16.8654  -20.1200
            24  O5a O    23.4886  -13.5957
            25  O1a O    20.1453  -15.5267
BOND        28
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 2
            23   17  19 1
            24    2  21 1 #Down
            25    7  22 1 #Up
            26   19  23 2
            27   18  24 2
            28    6  25 1 #Up


entry: C15080
name: --- - 4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone
formula: C26H26O7
kcf:
ATOM        33
            1   C8x C    16.4500  -18.1300
            2   C8y C    16.4500  -16.7300
            3   C8x C    17.6400  -16.0300
            4   C8x C    18.9000  -16.7300
            5   C8y C    18.9000  -18.1300
            6   C8x C    17.6400  -18.8300
            7   C2b C    20.0900  -18.8300
            8   C2b C    21.2800  -18.1300
            9   C5a C    22.4700  -18.8300
            10  C8y C    23.6600  -18.1300
            11  O5a O    22.4700  -20.2300
            12  C8y C    23.6600  -16.7300
            13  C8y C    24.9200  -16.0300
            14  C8y C    26.1100  -16.7300
            15  C8y C    26.1100  -18.1300
            16  C8y C    24.9200  -18.8300
            17  O2a O    24.9372  -14.6301
            18  O2a O    22.4534  -16.0200
            19  O2a O    27.3253  -16.0349
            20  O2a O    27.3253  -18.8251
            21  O1a O    24.9372  -20.2299
            22  O2a O    15.2347  -16.0349
            23  C1a C    26.1451  -13.9524
            24  C1a C    28.5137  -16.7277
            25  C1a C    22.4649  -14.6300
            26  C1a C    27.3312  -20.2297
            27  C1b C    14.0462  -16.7277
            28  C8y C    12.8499  -16.0434
            29  C8x C    12.9139  -14.6305
            30  C8x C    11.6285  -13.9356
            31  C8x C    10.4191  -14.6408
            32  C8x C    10.4251  -16.0537
            33  C8x C    11.6405  -16.7486
BOND        35
            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 2
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   10  16 1
            18   13  17 1
            19   12  18 1
            20   14  19 1
            21   15  20 1
            22   16  21 1
            23    2  22 1
            24   17  23 1
            25   19  24 1
            26   18  25 1
            27   20  26 1
            28   22  27 1
            29   27  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


entry: C15081
formula: C17H23NO3
name:
--- 
- trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3- carboxylic acid ethyl ester

kcf:
ATOM        21
            1   C8x C    12.4600  -17.5700
            2   C8y C    12.4600  -18.9700
            3   C8x C    13.6724  -19.6700
            4   C8y C    14.8849  -18.9700
            5   C8y C    14.8849  -17.5700
            6   C8x C    13.6724  -16.8700
            7   C1x C    16.0973  -19.6700
            8   C1x C    17.3097  -18.9700
            9   N1y N    17.3097  -17.5700
            10  C1y C    16.0973  -16.8700
            11  C1x C    18.5222  -16.8700
            12  C1y C    18.5222  -15.4700
            13  C1x C    17.3097  -14.7700
            14  C1x C    16.0973  -15.4700
            15  C7a C    19.7553  -14.7578
            16  O7a O    20.9615  -15.4540
            17  O7a O    19.7550  -13.3701
            18  O2a O    11.2476  -19.6700
            19  C1a C    10.0521  -18.9796
            20  C1b C    22.1433  -14.7715
            21  C1a C    23.3376  -15.4610
BOND        23
            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 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 #Down
            18   15  16 1
            19   15  17 2
            20    2  18 1
            21   18  19 1
            22   16  20 1
            23   20  21 1


entry: C15082
name: --- - 4-(1-Ethyl-2-phenylbutyl)phenol
formula: C18H22O
kcf:
ATOM        19
            1   C8x C    17.1035  -18.7005
            2   C8x C    18.2360  -17.9778
            3   C8x C    18.2797  -16.5727
            4   C8x C    17.0547  -15.8962
            5   C8y C    15.8523  -16.6189
            6   C8x C    15.8049  -18.0181
            7   C1c C    14.6359  -15.9430
            8   C1c C    14.6596  -14.5431
            9   C8y C    13.4402  -13.8624
            10  C8x C    13.4201  -12.4660
            11  C8x C    12.2008  -11.7853
            12  C8y C    11.0016  -12.5008
            13  C8x C    11.0217  -13.8971
            14  C8x C    12.2410  -14.5780
            15  C1b C    15.8636  -13.8230
            16  C1b C    13.4324  -16.6642
            17  O1a O     9.7766  -11.8169
            18  C1a C    17.0891  -14.5057
            19  C1a C    12.2062  -15.9828
BOND        20
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14   9 1
            10    5   7 1
            11    8  15 1
            12    1   2 2
            13    7  16 1
            14    7   8 1
            15   12  17 1
            16    2   3 1
            17    8   9 1
            18   15  18 1
            19    3   4 2
            20   16  19 1


entry: C15083
name: --- - 1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene
formula: C14H10Cl2
kcf:
ATOM        16
            1   C8x C    18.4800  -18.0600
            2   C8y C    18.4800  -19.4600
            3   C8x C    19.6924  -20.1600
            4   C8x C    20.9049  -19.4600
            5   C8y C    20.9049  -18.0600
            6   C8x C    19.6924  -17.3600
            7   C2c C    22.1360  -17.3490
            8   C8y C    23.3412  -18.0447
            9   C8y C    23.3416  -19.4596
            10  C8x C    24.5542  -20.1593
            11  C8x C    25.7665  -19.4589
            12  C8x C    25.7660  -18.0439
            13  C8x C    24.5534  -17.3443
            14  C2a C    22.1357  -15.9601
            15  X   Cl   17.2676  -20.1600
            16  X   Cl   22.1058  -20.1740
BOND        17
            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 2
            16    2  15 1
            17    9  16 1


entry: C15084
name: --- - 2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile
formula: C20H14N2
kcf:
ATOM        22
            1   C2c C    22.3074  -16.0286
            2   C2c C    22.3191  -17.4137
            3   C8y C    21.0686  -15.2923
            4   C8y C    23.5871  -15.2808
            5   C8y C    21.1154  -18.1266
            6   N5x N    21.0627  -13.9075
            7   C8x C    19.8647  -15.9995
            8   C8x C    23.5873  -13.9426
            9   C8x C    24.8027  -16.0169
            10  C8x C    19.9057  -17.4370
            11  C8x C    21.1328  -19.5057
            12  C8x C    19.8473  -13.2121
            13  C8x C    18.6376  -15.3333
            14  C8x C    24.7675  -13.2062
            15  C8x C    25.9830  -15.3510
            16  C8x C    18.7078  -18.1382
            17  C8x C    19.9349  -20.2184
            18  C8x C    18.6434  -13.9192
            19  C8x C    26.0005  -13.9134
            20  C8x C    18.7135  -19.5348
            21  C3b C    23.5624  -18.1151
            22  N3a N    24.7184  -18.8365
BOND        24
            1     1   2 2
            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     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   10  16 1
            16   11  17 2
            17   12  18 1
            18   14  19 1
            19   16  20 2
            20   13  18 2
            21   15  19 2
            22   17  20 1
            23    2  21 1
            24   21  22 3


entry: C15085
name: --- - 17-Methyl-18-norandrosta-4,13(17)-dien-3-one
formula: C19H26O
kcf:
ATOM        20
            1   C1y C    22.8475  -17.1928
            2   C1y C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1x C    21.6695  -15.1705
            7   C2y C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C1x C    21.6877  -19.2089
            10  C2y C    20.5218  -18.5409
            11  C1x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C2y C    25.1977  -14.4844
            15  C1x C    26.3637  -15.1705
            16  C2x C    19.3618  -19.2150
            17  C1x C    18.2203  -17.2050
            18  C5x C    18.2203  -18.5409
            19  O5x O    16.9852  -19.2459
            20  C1a C    25.2047  -13.0900
BOND        23
            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 2
            14    8  15 1
            15   10  16 2
            16   11  17 1
            17   16  18 1
            18    7  13 1
            19    9  10 1
            20   14  15 1
            21   17  18 1
            22   18  19 2
            23   14  20 1


entry: C15086
name: --- - 3-Allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime
formula: C21H24N2O3
kcf:
ATOM        26
            1   C1y C    24.0332  -16.7933
            2   C2y C    22.8605  -17.4668
            3   C1z C    24.0391  -15.4465
            4   C1x C    26.3609  -16.8226
            5   C1y C    21.6936  -16.7760
            6   C2x C    22.8605  -18.8196
            7   C1x C    22.8837  -14.7612
            8   C2y C    25.2178  -14.7845
            9   C1a C    24.0332  -14.0936
            10  C2y C    26.3790  -15.4753
            11  C8y C    20.5150  -17.4553
            12  C1x C    21.7054  -15.4288
            13  C1x C    21.6818  -19.4874
            14  C8y C    20.5092  -18.8080
            15  C8x C    19.3421  -16.7760
            16  C8x C    19.3421  -19.4815
            17  C8x C    18.1057  -17.4553
            18  C8y C    18.0995  -18.8080
            19  N2b N    25.1656  -13.3705
            20  N2b N    27.6113  -14.7856
            21  O2a O    16.9084  -19.5139
            22  C1b C    15.7189  -18.8452
            23  C2b C    14.5442  -19.5414
            24  C2a C    13.3311  -18.8593
            25  O1b O    28.7843  -15.4839
            26  O1b O    26.3761  -12.6105
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22    8  19 2
            23   10  20 2
            24   18  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 2
            28   20  25 1
            29   19  26 1


entry: C15087
name: --- - 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime
formula: C18H19NO3
kcf:
ATOM        22
            1   C1y C    24.0332  -16.7933
            2   C2y C    22.8605  -17.4668
            3   C1z C    24.0391  -15.4465
            4   C1x C    26.3609  -16.8226
            5   C1y C    21.6936  -16.7760
            6   C2x C    22.8605  -18.8196
            7   C1x C    22.8837  -14.7612
            8   C5x C    25.2178  -14.7845
            9   C1a C    24.0332  -14.0936
            10  C2y C    26.3790  -15.4753
            11  C8y C    20.5150  -17.4553
            12  C1x C    21.7054  -15.4288
            13  C1x C    21.6818  -19.4874
            14  C8y C    20.5092  -18.8080
            15  C8x C    19.3421  -16.7760
            16  C8x C    19.3421  -19.4815
            17  C8x C    18.1057  -17.4553
            18  C8y C    18.0995  -18.8080
            19  O5x O    25.1656  -13.3705
            20  N2b N    27.6113  -14.7856
            21  O1a O    16.9084  -19.5140
            22  O1b O    28.7843  -15.4838
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 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   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22    8  19 2
            23   10  20 2
            24   18  21 1
            25   20  22 1


entry: C15088
name: --- - 4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate - 4-Fluorotestosterone propionate
formula: C22H31FO3
kcf:
ATOM        26
            1   C1y C    22.8475  -17.1928
            2   C1y C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1x C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C1x C    21.6877  -19.2089
            10  C2y C    20.5218  -18.5409
            11  C1x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C1y C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1x C    26.3637  -15.1705
            17  C2y C    19.3618  -19.2150
            18  C1x C    18.2203  -17.2050
            19  C5x C    18.2203  -18.5409
            20  O5x O    16.9852  -19.2459
            21  X   F    19.3618  -20.6150
            22  O7a O    25.2047  -13.0900
            23  C7a C    26.4171  -12.3981
            24  C1b C    27.6022  -13.0904
            25  C1a C    28.8015  -12.4060
            26  O7a O    26.4244  -10.9904
BOND        29
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   17  21 1
            25   14  22 1 #Up
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   23  26 2


entry: C15089
name: --- - 1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid
formula: C15H15NO4
kcf:
ATOM        20
            1   C8y C    17.2475  -17.7051
            2   C8x C    17.1861  -19.1464
            3   C8x C    16.0811  -17.0661
            4   C6a C    18.4332  -16.9977
            5   C8x C    16.0704  -19.8538
            6   N4y N    14.8004  -17.8012
            7   O6a O    18.3910  -15.6178
            8   O6a O    19.6610  -17.6704
            9   C8y C    14.7726  -19.1811
            10  O5x O    13.6569  -19.8885
            11  C1b C    13.6062  -17.0671
            12  C1b C    12.4206  -17.7745
            13  C8y C    11.1927  -17.1018
            14  C8x C    10.0071  -17.8092
            15  C8y C     8.7793  -17.1365
            16  C8x C     8.7707  -15.6952
            17  C8x C     9.9564  -14.9878
            18  C8x C    11.1842  -15.6605
            19  O2a O     7.5322  -17.8102
            20  C1a C     6.3473  -17.0804
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 2
            7     4   8 1
            8     5   9 1
            9     6   9 1
            10    9  10 2
            11    6  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   13  18 1
            20   15  19 1
            21   19  20 1


entry: C15090
name: --- - 17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone
formula: C22H28O3
kcf:
ATOM        25
            1   C1y C    15.0984  -16.4519
            2   C1y C    13.9316  -15.7956
            3   C1y C    16.2651  -15.7956
            4   C1x C    15.0984  -17.7646
            5   C1z C    12.8377  -16.4519
            6   C1x C    13.9316  -14.4830
            7   C1z C    16.2651  -14.4830
            8   C1x C    18.5987  -15.7956
            9   C1x C    13.9316  -18.4209
            10  C2y C    12.8377  -17.7646
            11  C2x C    11.6709  -15.7956
            12  C1a C    12.7648  -14.9205
            13  C1x C    15.0984  -13.8267
            14  C1z C    17.4319  -13.7537
            15  C1x C    18.5987  -14.4830
            16  C2x C    11.6709  -18.4938
            17  C2x C    10.5041  -16.4519
            18  C5x C    10.5041  -17.7646
            19  C1a C    15.4630  -13.0974
            20  O5x O     9.2644  -18.4938
            21  C1x C    16.6298  -11.4931
            22  C1x C    16.1922  -12.8786
            23  O7x O    18.5258  -12.8786
            24  C7x C    18.0883  -11.4931
            25  O7x O    18.9504  -10.3167
BOND        29
            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    8  15 1
            15   10  16 2
            16   11  17 2
            17   16  18 1
            18    7  13 1
            19    9  10 1
            20   14  15 1
            21   17  18 1
            22    7  19 1 #Up
            23   18  20 2
            24   21  22 1
            25   14  22 1 #Down
            26   14  23 1 #Up
            27   23  24 1
            28   21  24 1
            29   24  25 2


entry: C15091
name: --- - 9-Fluoro-17beta-hydroxy-6alpha,17-dimethylandrost-4-ene-3,11-dione
formula: C21H29FO3
kcf:
ATOM        25
            1   C1y C    23.3883  -17.1090
            2   C1z C    22.2235  -16.4415
            3   C1y C    24.5596  -16.4294
            4   C1x C    23.3698  -18.5045
            5   C1z C    21.0645  -17.1212
            6   C5x C    22.2113  -15.0884
            7   C1z C    24.5655  -15.0763
            8   C1x C    26.9018  -16.4353
            9   C1y C    22.2295  -19.1235
            10  C2y C    21.0645  -18.4560
            11  C1x C    19.9237  -16.4658
            12  C1a C    21.0463  -15.4948
            13  C1x C    23.3823  -14.4088
            14  C1z C    25.7366  -14.4028
            15  C1a C    24.5654  -13.4654
            16  C1x C    26.9018  -15.0884
            17  C2x C    19.9054  -19.1296
            18  C1x C    18.7649  -17.1212
            19  C5x C    18.7649  -18.4560
            20  X   F    22.2173  -17.7581
            21  O5x O    17.5307  -19.1605
            22  O5x O    21.0274  -14.4136
            23  O1a O    25.7437  -13.0095
            24  C1a C    22.2139  -20.4932
            25  C1a C    27.0879  -14.0406
BOND        28
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23    2  20 1 #Down
            24   19  21 2
            25    6  22 2
            26   14  23 1 #Up
            27    9  24 1 #Down
            28   14  25 1 #Down


entry: C15092
name: --- - 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3- one
formula: C20H27FO3
kcf:
ATOM        24
            1   C1y C    22.8475  -17.1928
            2   C1z C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1y C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C1x C    21.6877  -19.2089
            10  C2y C    20.5218  -18.5409
            11  C2x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C1y C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1y C    26.3637  -15.1705
            17  C2x C    19.3618  -19.2150
            18  C2x C    18.2203  -17.2050
            19  C5x C    18.2203  -18.5409
            20  X   F    21.6755  -17.8424
            21  O5x O    16.9852  -19.2459
            22  O1a O    20.4846  -14.4952
            23  O1a O    25.2047  -13.0900
            24  C1a C    27.5900  -14.4690
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
            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 2
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23    2  20 1 #Down
            24   19  21 2
            25    6  22 1 #Up
            26   14  23 1 #Up
            27   16  24 1 #Down


entry: C15093
name: --- - 3beta-Fluoroandrost-5-en-17beta-ol
formula: C19H29FO
kcf:
ATOM        21
            1   C1y C    22.8475  -17.1928
            2   C1y C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1x C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C2x C    21.6877  -19.2089
            10  C2y C    20.5218  -18.5409
            11  C1x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C1y C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1x C    26.3637  -15.1705
            17  C1x C    19.3618  -19.2150
            18  C1x C    18.2203  -17.2050
            19  C1y C    18.2203  -18.5409
            20  O1a O    25.2047  -13.0900
            21  X   F    16.9852  -19.2459
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
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 2
            21   14  16 1
            22   18  19 1
            23   14  20 1 #Up
            24   19  21 1 #Up


entry: C15094
formula: C17H17N3O2
name:
--- 
- GYKI 52895
- 4-(8,9-Dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5- yl)benzenamine

kcf:
ATOM        22
            1   C8y C    17.8219  -15.1075
            2   C1x C    19.0740  -14.4903
            3   C1y C    20.3450  -15.0785
            4   N1x N    20.6736  -16.4293
            5   C8y C    17.5294  -16.4858
            6   N2x N    19.8226  -17.5441
            7   C2y C    18.4213  -17.5653
            8   C8x C    16.7812  -14.1710
            9   C8y C    15.4499  -14.6040
            10  C8y C    15.1573  -15.9823
            11  C8x C    16.1980  -16.9188
            12  O2x O    14.2294  -13.8999
            13  C1x C    13.1826  -14.8430
            14  O2x O    13.7561  -16.1300
            15  C1a C    21.4555  -14.1659
            16  C8y C    17.8307  -18.8445
            17  C8x C    16.4307  -18.8445
            18  C8x C    15.7307  -20.0570
            19  C8y C    16.4307  -21.2694
            20  C8x C    17.8307  -21.2694
            21  C8x C    18.5307  -20.0570
            22  N1a N    15.7310  -22.4813
BOND        25
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     1   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    5  11 1
            13    9  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    3  15 1
            18    7  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   16  21 1
            25   19  22 1


entry: C15095
name: --- - Coumestrol diacetate - 3,9-Diacetoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
formula: C19H12O7
kcf:
ATOM        26
            1   C8y C    15.6800   -8.8900
            2   C8y C    14.4900   -9.5900
            3   C8y C    16.7300   -9.8700
            4   C8y C    15.6800   -7.4900
            5   C8y C    13.3000   -8.8900
            6   O2x O    14.8400  -10.9900
            7   C8y C    16.1000  -11.1300
            8   C8x C    18.1300   -9.7300
            9   O7x O    14.5600   -6.7900
            10  O7x O    16.8700   -6.8600
            11  C8y C    13.3000   -7.4900
            12  C8x C    12.1100   -9.5900
            13  C8x C    16.9400  -12.2500
            14  C8x C    18.9000  -10.9200
            15  C8x C    12.1100   -6.7900
            16  C8x C    10.9200   -8.8900
            17  C8y C    18.3400  -12.1100
            18  C8y C    10.9200   -7.4900
            19  O7a O    19.1800  -13.2300
            20  O7a O     9.7300   -6.7900
            21  C7a C     8.6100   -7.4900
            22  C1a C     7.4200   -6.7900
            23  O7a O     8.6100   -8.8900
            24  C7a C    20.5800  -13.0900
            25  C1a C    21.4200  -14.2100
            26  O7a O    21.1400  -11.8300
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     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    7  13 1
            13    8  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20    6   7 1
            21    9  11 1
            22   14  17 1
            23   16  18 1
            24   20  21 1
            25   21  22 1
            26   21  23 2
            27   19  24 1
            28   24  25 1
            29   24  26 2


entry: C15096
formula: C33H34N4O3
name:
--- 
- GV 150013X
- N-Phenyl-N'-[(3R)-2,3,4,5-tetrahydro-2,4-dioxo-1-phenyl-5- (tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-1,5-benzodiazepin-3-yl]urea

kcf:
ATOM        40
            1   C8y C     4.8875   -9.6384
            2   C8y C     5.2394   -8.2876
            3   N1y N     6.5156   -7.7107
            4   C5x C     7.7524   -8.3455
            5   N1y N     5.7388  -10.7611
            6   C1y C     8.0393   -9.7184
            7   C5x C     7.1389  -10.7923
            8   C8y C     5.0946  -12.0224
            9   C8x C     4.2426   -7.3045
            10  C8x C     2.8929   -7.6762
            11  C8x C     2.5409   -9.0271
            12  C8x C     3.5377  -10.0101
            13  O5x O     8.8845   -7.4827
            14  O5x O     7.7122  -12.0577
            15  C8x C     3.6946  -12.0224
            16  C8x C     2.9946  -13.2348
            17  C8x C     3.6946  -14.4472
            18  C8x C     5.0946  -14.4472
            19  C8x C     5.7946  -13.2348
            20  N1b N     9.2624  -10.4300
            21  C5a C    10.4749   -9.7300
            22  N1b N    11.6873  -10.4300
            23  C8y C    12.8997   -9.7300
            24  O5a O    10.4749   -8.3302
            25  C8x C    14.0973  -10.4215
            26  C8x C    15.3098   -9.7216
            27  C8x C    15.3099   -8.3216
            28  C8x C    14.1124   -7.6301
            29  C8x C    12.8999   -8.3300
            30  C1b C     6.5507   -6.3006
            31  C1z C     7.8028   -5.6183
            32  C1x C     8.9655   -6.3285
            33  C1y C    10.1949   -5.6587
            34  C1x C    10.2295   -4.2591
            35  C1y C     9.0668   -3.5490
            36  C1x C     7.8375   -4.2188
            37  C1x C     8.1652   -6.9706
            38  C1y C     9.5175   -6.6083
            39  C1x C    10.8698   -6.9706
            40  C1x C     9.5175   -5.2083
BOND        46
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 2
            7     6   7 1
            8     5   8 1
            9     2   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    1  12 1
            14    4  13 2
            15    7  14 2
            16    8  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21    8  19 1
            22    6  20 1 #Up
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   21  24 2
            27   23  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   23  29 1
            33    3  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   31  36 1
            41   31  37 1
            42   37  38 1
            43   38  39 1
            44   33  39 1
            45   38  40 1
            46   35  40 1


entry: C15097
name: --- - Androst-5-ene-3beta,17beta,19-triol
formula: C19H30O3
kcf:
ATOM        22
            1   C1y C    22.8475  -17.1928
            2   C1y C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1x C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C2x C    21.6877  -19.2089
            10  C2y C    20.5218  -18.5409
            11  C1x C    19.3801  -16.5491
            12  C1b C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C1y C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1x C    26.3637  -15.1705
            17  C1x C    19.3618  -19.2150
            18  C1x C    18.2203  -17.2050
            19  C1y C    18.2203  -18.5409
            20  O1a O    16.9852  -19.2459
            21  O1a O    25.2047  -13.0900
            22  O1a O    19.3023  -14.9019
BOND        25
            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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 2
            21   14  16 1
            22   18  19 1
            23   19  20 1 #Up
            24   14  21 1 #Up
            25   12  22 1


entry: C15098
name: --- - 21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione - 21-Fluoro-11beta-hydroxyprogesterone
formula: C21H29FO3
kcf:
ATOM        25
            1   C1y C    22.4870  -18.1406
            2   C1y C    21.3683  -17.5054
            3   C1y C    23.5943  -17.4937
            4   C1x C    22.4637  -19.4109
            5   C1z C    20.2728  -18.1523
            6   C1y C    21.3624  -16.2234
            7   C1z C    23.5943  -16.2118
            8   C1x C    25.8204  -17.4996
            9   C1x C    21.3800  -20.0519
            10  C2y C    20.2728  -19.4226
            11  C1x C    19.1715  -17.5230
            12  C1a C    20.2552  -16.6780
            13  C1x C    22.4754  -15.5767
            14  C1y C    24.7189  -15.5708
            15  C1x C    25.8261  -16.2177
            16  C2x C    19.1715  -20.0636
            17  C1x C    18.0876  -18.1523
            18  C5a C    24.7189  -14.3121
            19  C5x C    18.0876  -19.4226
            20  C1b C    25.8087  -13.6945
            21  C1a C    23.5943  -14.8118
            22  O5x O    16.8654  -20.1200
            23  O5a O    23.4886  -13.5957
            24  X   F    27.0425  -14.4198
            25  O1a O    20.1454  -15.5267
BOND        28
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   20  24 1
            28    6  25 1 #Up


entry: C15099
formula: C21H34O2
name:
--- 
- 17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one
- 2alpha,17alpha-Dimethyldihydrotestosterone

kcf:
ATOM        23
            1   C1y C    22.8475  -17.1928
            2   C1y C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1x C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C1x C    21.6877  -19.2089
            10  C1y C    20.5218  -18.5409
            11  C1x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C1z C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1x C    26.3637  -15.1705
            17  C1x C    19.3618  -19.2150
            18  C1y C    18.2203  -17.2050
            19  C5x C    18.2203  -18.5409
            20  O5x O    16.9852  -19.2459
            21  O1a O    25.2047  -13.0900
            22  C1a C    17.0026  -16.4945
            23  C1a C    26.5500  -14.1220
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25   18  22 1 #Down
            26   14  23 1 #Down


entry: C15100
formula: C17H14O6
name:
--- 
- 6-Hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
- 4',6-Dihydroxy-5,7-dimethoxyflavone

kcf:
ATOM        23
            1   C8y C    20.4708  -16.4246
            2   C8y C    20.4708  -17.8218
            3   C8y C    21.6809  -18.5205
            4   C8x C    22.8913  -17.8218
            5   C8y C    22.8913  -16.4246
            6   O2x O    21.6809  -15.7258
            7   C8x C    19.2606  -15.7258
            8   C8y C    18.0502  -16.4246
            9   C8y C    18.0502  -17.8218
            10  C8y C    19.2606  -18.5205
            11  C8y C    24.1200  -15.7147
            12  C8x C    25.3229  -16.4093
            13  C8x C    26.5330  -15.7103
            14  C8y C    26.5330  -14.3128
            15  C8x C    25.3301  -13.6185
            16  C8x C    24.1199  -14.3172
            17  O1a O    27.7488  -13.6108
            18  O2a O    16.8213  -15.7147
            19  O1a O    16.8213  -18.5316
            20  O2a O    19.2606  -19.9179
            21  O5x O    21.6808  -19.9389
            22  C1a C    18.0263  -20.6301
            23  C1a C    16.8222  -14.2802
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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    5  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20    8  18 1
            21    9  19 1
            22   10  20 1
            23    3  21 2
            24   20  22 1
            25   18  23 1


entry: C15101
name: --- - 17-Methyl-5-alpha-androst-2-en-17-beta-ol
formula: C20H32O
kcf:
ATOM        21
            1   C1y C    22.8475  -17.1928
            2   C1y C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1x C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C1x C    21.6877  -19.2089
            10  C1y C    20.5218  -18.5409
            11  C1x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C1z C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1x C    26.3637  -15.1705
            17  C1x C    19.3618  -19.2150
            18  C2x C    18.2203  -17.2050
            19  C2x C    18.2203  -18.5409
            20  O1a O    25.2047  -13.0900
            21  C1a C    26.5500  -14.1220
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
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 2
            23   14  20 1 #Up
            24   14  21 1 #Down


entry: C15102
name: --- - 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
formula: C11H10O3
kcf:
ATOM        14
            1   C8x C    13.3000  -15.8200
            2   C8x C    13.3000  -17.2200
            3   C8x C    14.5124  -17.9200
            4   C8y C    15.7249  -17.2200
            5   C8y C    15.7249  -15.8200
            6   C8x C    14.5124  -15.1200
            7   C5x C    16.9373  -17.9200
            8   C1x C    18.1497  -17.2200
            9   C1x C    18.1497  -15.8200
            10  C1y C    16.9373  -15.1200
            11  C6a C    16.9373  -13.7200
            12  O6a O    18.1518  -13.0188
            13  O6a O    15.7269  -13.0212
            14  O5x O    16.9373  -19.3200
BOND        15
            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 1
            10    9  10 1
            11    5  10 1
            12   10  11 1
            13   11  12 2
            14   11  13 1
            15    7  14 2


entry: C15103
name: --- - 11alpha,17beta-Dihydroxy-1,4-androstadien-3-one
formula: C19H26O3
kcf:
ATOM        22
            1   C1y C    22.8475  -17.1928
            2   C1y C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1y C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C1x C    21.6877  -19.2089
            10  C2y C    20.5218  -18.5409
            11  C2x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C1y C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1x C    26.3637  -15.1705
            17  C2x C    19.3618  -19.2150
            18  C2x C    18.2203  -17.2050
            19  C5x C    18.2203  -18.5409
            20  O5x O    16.9852  -19.2459
            21  O1a O    20.4846  -14.4952
            22  O1a O    25.2047  -13.0900
BOND        25
            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 2
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24    6  21 1 #Down
            25   14  22 1 #Up


entry: C15104
formula: C27H24ClN3O2
name:
--- 
- LY-202769
- 2-[2-(5-Chloro-1H-indol-3-yl)ethyl]-3-[3-(1-methylethoxy)phenyl]- 4(3H)-quinazolinone

kcf:
ATOM        33
            1   C8x C     9.1000  -14.9800
            2   C8x C     9.1000  -16.3800
            3   C8x C    10.3124  -17.0800
            4   C8y C    11.5249  -16.3800
            5   C8y C    11.5249  -14.9800
            6   C8x C    10.3124  -14.2800
            7   C8y C    12.7373  -17.0800
            8   N4y N    13.9497  -16.3800
            9   C8y C    13.9497  -14.9800
            10  N5x N    12.7373  -14.2800
            11  O5x O    12.7373  -18.4800
            12  C8y C    15.1473  -17.0715
            13  C8x C    15.1473  -18.4797
            14  C8x C    16.3598  -19.1797
            15  C8x C    17.5722  -18.4797
            16  C8y C    17.5722  -17.0715
            17  C8x C    16.3597  -16.3715
            18  O2a O    18.7824  -16.3800
            19  C1c C    19.9949  -17.0800
            20  C1a C    21.2073  -16.3800
            21  C1a C    19.9949  -18.4798
            22  C1b C    15.1473  -14.2885
            23  C1b C    15.1200  -12.8800
            24  C8y C    16.3187  -12.1567
            25  C8x C    17.6092  -12.7015
            26  N4x N    18.5263  -11.6425
            27  C8y C    17.8024  -10.4431
            28  C8y C    16.4381  -10.7608
            29  C8x C    18.2092   -9.1035
            30  C8x C    17.2524   -8.0814
            31  C8y C    15.8880   -8.3992
            32  C8x C    15.4813   -9.7388
            33  X   Cl   14.9326   -7.3786
BOND        37
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    7  11 2
            13    8  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   18  19 1
            22   19  20 1
            23   19  21 1
            24    9  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   24  28 1
            32   27  29 2
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   28  32 2
            37   31  33 1


entry: C15105
name: --- - 9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione
formula: C19H23FO4
kcf:
ATOM        24
            1   C1y C    22.8475  -17.1928
            2   C1z C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C5x C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C1x C    21.6877  -19.2089
            10  C2y C    20.5218  -18.5409
            11  C1x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C5x C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1y C    26.3637  -15.1705
            17  C2x C    19.3618  -19.2150
            18  C1x C    18.2203  -17.2050
            19  C5x C    18.2203  -18.5409
            20  X   F    21.6755  -17.8424
            21  O5x O    16.9852  -19.2459
            22  O5x O    20.4846  -14.4952
            23  O5x O    25.2047  -13.0900
            24  O1a O    27.5900  -14.4690
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
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23    2  20 1 #Down
            24   19  21 2
            25    6  22 2
            26   14  23 2
            27   16  24 1 #Down


entry: C15106
name: --- - 3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime
formula: C22H34N2O2
kcf:
ATOM        26
            1   C1y C    22.4870  -18.1406
            2   C1y C    21.3683  -17.5054
            3   C1y C    23.5943  -17.4937
            4   C1x C    22.4637  -19.4109
            5   C1z C    20.2728  -18.1523
            6   C1x C    21.3624  -16.2234
            7   C1z C    23.5943  -16.2118
            8   C1x C    25.8204  -17.4996
            9   C1x C    21.3800  -20.0519
            10  C2y C    20.2728  -19.4226
            11  C1x C    19.1715  -17.5230
            12  C1a C    20.2552  -16.6780
            13  C1x C    22.4754  -15.5767
            14  C1y C    24.7189  -15.5708
            15  C1x C    25.8261  -16.2177
            16  C2x C    19.1715  -20.0636
            17  C1x C    18.0876  -18.1523
            18  C1c C    24.7189  -14.3121
            19  C2y C    18.0876  -19.4226
            20  C2b C    25.8087  -13.6945
            21  C1a C    23.5943  -14.8118
            22  C1a C    23.4886  -13.5957
            23  N2b N    27.0426  -14.4198
            24  N2b N    16.8654  -20.1200
            25  O1b O    15.6470  -19.4086
            26  O1b O    28.2431  -13.7389
BOND        29
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   18  22 1 #Up
            26   20  23 2
            27   19  24 2
            28   24  25 1
            29   23  26 1


entry: C15107
name: --- - 3-Methoxyestra-1,3,5(10),16-tetraene
formula: C19H24O
kcf:
ATOM        20
            1   C1y C    24.0332  -16.7933
            2   C1y C    22.8605  -17.4668
            3   C1z C    24.0391  -15.4465
            4   C1x C    26.3609  -16.8226
            5   C1y C    21.6936  -16.7760
            6   C1x C    22.8605  -18.8196
            7   C1x C    22.8837  -14.7612
            8   C2x C    25.2178  -14.7845
            9   C1a C    24.0332  -14.0936
            10  C2x C    26.3790  -15.4753
            11  C8y C    20.5150  -17.4553
            12  C1x C    21.7054  -15.4288
            13  C1x C    21.6818  -19.4874
            14  C8y C    20.5092  -18.8080
            15  C8x C    19.3421  -16.7760
            16  C8x C    19.3421  -19.4815
            17  C8x C    18.1057  -17.4553
            18  C8y C    18.0995  -18.8080
            19  O2a O    16.9084  -19.5140
            20  C1a C    15.7189  -18.8452
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 2
            20   13  14 1
            21   17  18 1
            22   18  19 1
            23   19  20 1


entry: C15108
name: --- - 17beta-Hydroxy-6alpha,17-dimethylandrost-4-en-3-one - 6alpha,17alpha-Dimethyltestosterone
formula: C21H32O2
kcf:
ATOM        23
            1   C1y C    22.8475  -17.1928
            2   C1y C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1x C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C1y C    21.6877  -19.2089
            10  C2y C    20.5218  -18.5409
            11  C1x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C1z C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1x C    26.3637  -15.1705
            17  C2x C    19.3618  -19.2150
            18  C1x C    18.2203  -17.2050
            19  C5x C    18.2203  -18.5409
            20  O5x O    16.9852  -19.2459
            21  O1a O    25.2047  -13.0900
            22  C1a C    21.6721  -20.5797
            23  C1a C    26.5500  -14.1220
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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25    9  22 1 #Down
            26   14  23 1 #Down


entry: C15109
formula: C19H18O7
name:
--- 
- Gardenin B
- 5-Hydroxy-2-(4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4- one
- 5-Hydroxy-4',6,7,8-tetramethoxyflavone
- Demethyltangeretin

kcf:
ATOM        26
            1   C8y C    20.4264  -16.0390
            2   C8y C    20.4264  -17.4331
            3   C8y C    21.6339  -18.1303
            4   C8x C    22.8416  -17.4331
            5   C8y C    22.8416  -16.0390
            6   O2x O    21.6339  -15.3417
            7   C8y C    19.2188  -15.3417
            8   C8y C    18.0110  -16.0390
            9   C8y C    18.0110  -17.4331
            10  C8y C    19.2188  -18.1303
            11  C8y C    24.0677  -15.3306
            12  C8x C    25.2680  -16.0237
            13  C8x C    26.4754  -15.3262
            14  C8y C    26.4754  -13.9317
            15  C8x C    25.2751  -13.2390
            16  C8x C    24.0676  -13.9361
            17  O2a O    27.6886  -13.2313
            18  O2a O    16.7848  -15.3306
            19  O2a O    16.7848  -18.1414
            20  O1a O    19.2188  -19.5247
            21  O5x O    21.6338  -19.5456
            22  C1a C    16.7857  -13.8992
            23  O2a O    19.2186  -13.9304
            24  C1a C    20.4545  -13.2164
            25  C1a C    15.5789  -17.4453
            26  C1a C    28.9238  -13.9447
BOND        28
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    5  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20    8  18 1
            21    9  19 1
            22   10  20 1
            23    3  21 2
            24   18  22 1
            25    7  23 1
            26   23  24 1
            27   19  25 1
            28   17  26 1


entry: C15110
formula: C16H12O4
name:
--- 
- 1-[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone
- 6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone

kcf:
ATOM        20
            1   C8y C    19.4051  -12.1039
            2   C8y C    18.0012  -12.0980
            3   C8x C    20.1043  -10.8920
            4   C8x C    20.0926  -13.3216
            5   O2x O    17.1797  -13.2226
            6   C8y C    17.1914  -10.9620
            7   C8x C    21.5083  -10.9037
            8   C8x C    21.4909  -13.3332
            9   C8y C    15.9214  -12.7797
            10  C8y C    15.8631  -11.3815
            11  C8y C    22.1957  -12.1213
            12  C8x C    14.6512  -13.4846
            13  C8x C    14.6512  -10.6883
            14  O1a O    23.6056  -12.1272
            15  C8y C    13.4336  -12.7855
            16  C8x C    13.4336  -11.3815
            17  O1a O    12.2218  -13.4905
            18  C5a C    17.6302   -9.6515
            19  C1a C    19.0099   -9.3711
            20  O5a O    16.7113   -8.6123
BOND        22
            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     5   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 2
            15   13  16 2
            16   15  17 1
            17    8  11 2
            18    9  10 2
            19   15  16 1
            20    6  18 1
            21   18  19 1
            22   18  20 2


entry: C15111
formula: C16H12O3
name:
--- 
- 1-[2-(4-Hydroxyphenyl)-1-benzofuran-3-yl]ethanone
- 2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone

kcf:
ATOM        19
            1   C8y C    23.7671  -17.7876
            2   C8y C    22.3616  -17.7817
            3   C8x C    24.4671  -16.5744
            4   C8x C    24.4554  -19.0067
            5   O2x O    21.5392  -18.9076
            6   C8y C    21.5509  -16.6444
            7   C8x C    25.8727  -16.5861
            8   C8x C    25.8553  -19.0183
            9   C8y C    20.2095  -18.4642
            10  C8y C    20.2211  -17.0644
            11  C8y C    26.5609  -17.8051
            12  C8x C    19.0078  -19.1699
            13  C8x C    19.0078  -16.3704
            14  O1a O    27.9724  -17.8110
            15  C8x C    17.7889  -18.4700
            16  C8x C    17.7889  -17.0644
            17  C5a C    21.9902  -15.3325
            18  C1a C    23.3715  -15.0517
            19  O5a O    21.0703  -14.2921
BOND        21
            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     5   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 2
            15   13  16 2
            16    8  11 2
            17    9  10 2
            18   15  16 1
            19    6  17 1
            20   17  18 1
            21   17  19 2


entry: C15112
name: --- - 4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate
formula: C22H30F2O3
kcf:
ATOM        27
            1   C1y C    22.8475  -17.1928
            2   C1y C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1x C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C2x C    21.6877  -19.2089
            10  C2y C    20.5218  -18.5409
            11  C1x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C1y C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1x C    26.3637  -15.1705
            17  C1z C    19.3618  -19.2150
            18  C1x C    18.2203  -17.2050
            19  C5x C    18.2203  -18.5409
            20  O5x O    16.9852  -19.2459
            21  X   F    18.3718  -20.2049
            22  X   F    20.3517  -20.2049
            23  O7a O    25.2047  -13.0900
            24  C7a C    26.4171  -12.3981
            25  C1b C    27.6022  -13.0904
            26  O7a O    26.4244  -10.9904
            27  C1a C    28.8015  -12.4060
BOND        30
            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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 2
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   17  21 1
            25   17  22 1
            26   14  23 1 #Up
            27   23  24 1
            28   24  25 1
            29   24  26 2
            30   25  27 1


entry: C15113
name: --- - 9-Fluoro-11beta,17beta-dihydroxy-2,17-dimethylandrost-4-en-3-one
formula: C21H31FO3
kcf:
ATOM        25
            1   C1y C    22.8475  -17.1928
            2   C1z C    21.6817  -16.5248
            3   C1y C    24.0197  -16.5126
            4   C1x C    22.8291  -18.5895
            5   C1z C    20.5218  -17.2050
            6   C1y C    21.6695  -15.1705
            7   C1z C    24.0256  -15.1584
            8   C1x C    26.3637  -16.5186
            9   C1x C    21.6877  -19.2089
            10  C2y C    20.5218  -18.5409
            11  C1x C    19.3801  -16.5491
            12  C1a C    20.5036  -15.5773
            13  C1x C    22.8415  -14.4904
            14  C1z C    25.1977  -14.4844
            15  C1a C    24.0255  -13.5463
            16  C1x C    26.3637  -15.1705
            17  C2x C    19.3618  -19.2150
            18  C1y C    18.2203  -17.2050
            19  C5x C    18.2203  -18.5409
            20  X   F    21.6755  -17.8424
            21  O5x O    16.9852  -19.2459
            22  O1a O    20.4845  -14.4952
            23  O1a O    25.2047  -13.0900
            24  C1a C    17.0026  -16.4945
            25  C1a C    26.5500  -14.1221
BOND        28
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23    2  20 1 #Down
            24   19  21 2
            25    6  22 1 #Up
            26   14  23 1 #Up
            27   18  24 1
            28   14  25 1 #Down


entry: C15114
formula: C20H26O2
name:
--- 
- 3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
- 3-Methoxy-5,19-cyclo-5,10-secoandrosta-1(10),2,4-trien-17-one

kcf:
ATOM        22
            1   C1y C    28.0000  -18.6900
            2   C1x C    26.8800  -17.7800
            3   C1x C    25.5500  -18.1300
            4   C2y C    24.9200  -19.3900
            5   C1y C    28.0000  -20.0900
            6   C1x C    25.5500  -20.6500
            7   C2y C    26.8800  -20.9300
            8   C1x C    29.2124  -20.7900
            9   C1x C    30.4249  -20.0900
            10  C1z C    30.4249  -18.6900
            11  C1y C    29.2124  -17.9900
            12  C5x C    31.6560  -17.9790
            13  C1x C    29.2124  -16.5902
            14  C1x C    31.6557  -16.5901
            15  C1a C    31.5449  -19.7400
            16  O5x O    32.8612  -18.6746
            17  C2x C    23.7076  -20.0900
            18  C2x C    26.1800  -22.1424
            19  C2y C    23.3452  -21.4423
            20  C2x C    24.9676  -22.8424
            21  O2a O    22.0451  -21.8420
            22  C1a C    21.0214  -20.8903
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     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    1  11 1
            13   10  12 1
            14   11  13 1
            15   12  14 1
            16   13  14 1
            17   10  15 1 #Down
            18   12  16 2
            19    4  17 2
            20    7  18 2
            21   17  19 1
            22   18  20 1
            23   19  20 2
            24   19  21 1
            25   21  22 1


entry: C15115
formula: C23H34O3
name:
--- 
- 11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione
- 11beta-Hydroxy-6alpha,11-dimethylprogesterone

kcf:
ATOM        26
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1z C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1y C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O1a O    24.3453  -18.1167
            25  C1a C    25.5911  -24.0094
            26  C1a C    25.5624  -16.3634
BOND        29
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27    6  24 1 #Up
            28    9  25 1 #Down
            29    6  26 1 #Down


entry: C15116
name: --- - 2alpha-Methylpregn-4-ene-3,20-dione - 2alpha-Methylprogesterone
formula: C22H32O2
kcf:
ATOM        24
            1   C1y C    27.6946  -20.6496
            2   C1y C    26.5161  -19.9804
            3   C1y C    28.8611  -19.9681
            4   C1x C    27.7401  -21.9878
            5   C1z C    25.3620  -20.6619
            6   C1x C    26.5099  -18.6298
            7   C1z C    28.8611  -18.6176
            8   C1x C    31.2063  -19.9743
            9   C1x C    26.5284  -22.6631
            10  C2y C    25.3620  -22.0002
            11  C1x C    24.2018  -19.9989
            12  C1a C    25.3434  -19.1087
            13  C1x C    27.6824  -17.9485
            14  C1y C    30.0459  -17.9423
            15  C1x C    31.2123  -18.6238
            16  C2x C    24.2018  -22.6754
            17  C1y C    23.0599  -20.6619
            18  C5a C    30.0459  -16.6163
            19  C5x C    23.0599  -22.0002
            20  C1a C    31.1940  -15.9656
            21  C1a C    28.8611  -17.1427
            22  O5x O    21.7723  -22.7349
            23  O5a O    28.7498  -15.8615
            24  C1a C    21.7496  -19.9077
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
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   17  24 1 #Down


entry: C15117
name: --- - 3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
formula: C21H30O
kcf:
ATOM        22
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C8y C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C8y C    24.4728  -22.0126
            11  C8x C    23.3715  -20.1130
            12  C1x C    26.6754  -18.1667
            13  C1z C    28.9189  -18.1608
            14  C1x C    30.0261  -18.8077
            15  C8x C    23.3715  -22.6536
            16  C8x C    22.2876  -20.7423
            17  C1b C    28.9189  -16.9021
            18  C8y C    22.2876  -22.0126
            19  C1a C    30.0087  -16.2845
            20  C1a C    27.7943  -17.4018
            21  C1a C    21.0654  -22.7100
            22  O1a O    30.2712  -17.7984
BOND        25
            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 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   11  16 2
            16   13  17 1 #Down
            17   15  18 2
            18   17  19 1
            19    7  12 1
            20    9  10 1
            21   13  14 1
            22   16  18 1
            23    7  20 1 #Up
            24   18  21 1
            25   13  22 1 #Up


entry: C15118
formula: C19H20O6
name:
--- 
- 2,3-Dihydro-2-(4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4- one
- 4',5,6,7-Tetramethoxyflavanone

kcf:
ATOM        25
            1   C8y C    24.6264  -18.6290
            2   C8y C    24.6264  -20.0231
            3   C5x C    25.8339  -20.7203
            4   C1x C    27.0416  -20.0231
            5   C1y C    27.0416  -18.6290
            6   O2x O    25.8339  -17.9317
            7   C8x C    23.4188  -17.9317
            8   C8y C    22.2110  -18.6290
            9   C8y C    22.2110  -20.0231
            10  C8y C    23.4188  -20.7203
            11  C8y C    28.2677  -17.9206
            12  C8x C    29.4680  -18.6137
            13  C8x C    30.6754  -17.9162
            14  C8y C    30.6754  -16.5217
            15  C8x C    29.4751  -15.8290
            16  C8x C    28.2676  -16.5261
            17  O2a O    31.8886  -15.8213
            18  O2a O    20.9848  -17.9206
            19  O2a O    20.9848  -20.7314
            20  O2a O    23.4188  -22.1147
            21  O5x O    25.8338  -22.1356
            22  C1a C    22.1872  -22.8253
            23  C1a C    20.9857  -16.4892
            24  C1a C    19.7789  -20.0353
            25  C1a C    33.1238  -16.5347
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    5  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20    8  18 1
            21    9  19 1
            22   10  20 1
            23    3  21 2
            24   20  22 1
            25   18  23 1
            26   19  24 1
            27   17  25 1


entry: C15119
name: --- - B-Norcholest-4-en-3-one
formula: C26H42O
kcf:
ATOM        27
            1   C1y C    26.4210  -20.0488
            2   C1y C    25.2503  -20.7244
            3   C1z C    26.4210  -18.6975
            4   C1x C    28.7623  -20.0488
            5   C1y C    24.0854  -20.0488
            6   C1x C    25.2444  -22.0757
            7   C1y C    27.6034  -18.0220
            8   C1x C    25.2503  -18.0220
            9   C1a C    26.4151  -17.3463
            10  C1x C    28.7623  -18.6975
            11  C1z C    22.9031  -20.7244
            12  C1x C    24.0854  -18.6975
            13  C1c C    27.6034  -16.6707
            14  C2y C    22.9031  -22.0757
            15  C1x C    21.7383  -20.0488
            16  C1a C    22.8914  -19.3732
            17  C1b C    28.7973  -15.9834
            18  C1a C    26.4034  -15.9777
            19  C2x C    21.7383  -22.7513
            20  C1x C    20.5676  -20.7244
            21  C1b C    29.9913  -16.6764
            22  C5x C    20.5676  -22.0757
            23  C1b C    31.1853  -15.9834
            24  O5x O    19.3853  -22.7513
            25  C1c C    32.3851  -16.6764
            26  C1a C    33.5791  -15.9892
            27  C1a C    32.3793  -18.2663
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    7  13 1
            13   11  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   13  17 1
            17   13  18 1 #Down
            18   14  19 2
            19   15  20 1
            20   17  21 1
            21   19  22 1
            22   21  23 1
            23   22  24 2
            24   23  25 1
            25   25  26 1
            26   25  27 1
            27    7  10 1
            28    8  12 1
            29   20  22 1
            30   14   6 1


entry: C15120
name: --- - alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid
formula: C15H13NO3
kcf:
ATOM        19
            1   C8x C    14.7700  -17.2900
            2   N5x N    14.7700  -18.6900
            3   C8x C    15.9600  -19.3900
            4   C8x C    17.2200  -18.6900
            5   C8y C    17.2200  -17.2900
            6   C8x C    15.9600  -16.5900
            7   C2b C    18.4100  -16.5900
            8   C2c C    19.6000  -17.2900
            9   C8y C    20.7900  -16.5900
            10  C6a C    19.6000  -18.6900
            11  O6a O    20.7900  -19.3900
            12  O6a O    18.4100  -19.3900
            13  C8x C    21.9800  -17.2900
            14  C8x C    23.2400  -16.5900
            15  C8y C    23.2400  -15.1900
            16  C8x C    22.0500  -14.4900
            17  C8x C    20.7900  -15.1900
            18  O2a O    24.4300  -14.4900
            19  C1a C    25.6200  -15.1900
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    8  10 1
            11   10  11 1
            12   10  12 2
            13    9  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18    9  17 1
            19   15  18 1
            20   18  19 1


entry: C15121
name: --- - alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile
formula: C15H12N2O
kcf:
ATOM        18
            1   C8x C    21.0059  -19.3348
            2   C8x C    21.0059  -20.7359
            3   C8x C    22.2192  -21.4364
            4   C8x C    23.4325  -20.7359
            5   C8y C    23.4325  -19.3348
            6   N5x N    22.2192  -18.6344
            7   C2b C    24.6644  -18.6234
            8   C2c C    25.8704  -19.3196
            9   C8y C    27.0534  -18.6363
            10  C8x C    28.2484  -19.3261
            11  C8x C    29.4615  -18.6256
            12  C8y C    29.4615  -17.2247
            13  C8x C    28.2668  -16.5349
            14  C8x C    27.0534  -17.2354
            15  O2a O    30.6859  -16.5177
            16  C3b C    25.8708  -20.7355
            17  N3a N    25.9091  -22.1368
            18  C1a C    31.9141  -17.2268
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 2
            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    8  16 1
            18   16  17 3
            19   15  18 1


entry: C15122
name: --- - alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid
formula: C16H15NO3
kcf:
ATOM        20
            1   C8y C    21.0252  -19.6995
            2   C8x C    21.0252  -21.1019
            3   C8x C    22.2172  -21.8031
            4   C8x C    23.4794  -21.1019
            5   C8y C    23.4794  -19.6995
            6   N5x N    22.2172  -18.9983
            7   C2b C    24.6714  -18.9983
            8   C2c C    25.8634  -19.6995
            9   C8y C    27.0555  -18.9983
            10  C6a C    25.8634  -21.1019
            11  O6a O    27.0555  -21.8031
            12  O6a O    24.6714  -21.8031
            13  C8x C    28.2475  -19.6995
            14  C8x C    29.5096  -18.9983
            15  C8y C    29.5096  -17.5959
            16  C8x C    28.3176  -16.8947
            17  C8x C    27.0555  -17.5959
            18  O2a O    30.7017  -16.8947
            19  C1a C    31.8937  -17.5959
            20  C1a C    19.7781  -18.9866
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     5   7 1
            8     7   8 2
            9     8   9 1
            10    8  10 1
            11   10  11 1
            12   10  12 2
            13    9  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18    9  17 1
            19   15  18 1
            20   18  19 1
            21    1  20 1


entry: C15123
name: --- - 1,1-Dichloro-2,2-diphenylethane
formula: C14H12Cl2
kcf:
ATOM        16
            1   C8x C    13.5800  -17.9200
            2   C8x C    13.5800  -19.3200
            3   C8x C    14.7924  -20.0200
            4   C8x C    16.0049  -19.3200
            5   C8y C    16.0049  -17.9200
            6   C8x C    14.7924  -17.2200
            7   C1c C    17.2360  -17.2090
            8   C8y C    18.4412  -17.9047
            9   C1c C    17.2357  -15.8201
            10  C8x C    18.4416  -19.3196
            11  C8x C    19.6542  -20.0193
            12  C8x C    20.8665  -19.3189
            13  C8x C    20.8660  -17.9039
            14  C8x C    19.6534  -17.2043
            15  X   Cl   16.0113  -15.1135
            16  X   Cl   18.4362  -15.1266
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     7   9 1
            10    8  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    8  14 1
            16    9  15 1
            17    9  16 1


entry: C15124
name: --- - 3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17a-one
formula: C20H24O2
kcf:
ATOM        22
            1   C1y C    31.8575  -20.5781
            2   C2y C    30.6506  -21.2713
            3   C1z C    31.8636  -19.1921
            4   C1x C    34.3230  -20.6083
            5   C2y C    29.4497  -20.5603
            6   C1x C    30.6506  -22.6635
            7   C1x C    30.6745  -18.4868
            8   C5x C    33.0766  -18.5108
            9   C1a C    31.8575  -17.7998
            10  C1x C    34.2717  -19.2217
            11  C8y C    28.2367  -21.2595
            12  C1x C    29.4599  -19.1738
            13  C1x C    29.4375  -23.3508
            14  C8y C    28.2307  -22.6516
            15  C8x C    27.0296  -20.5603
            16  C8x C    27.0296  -23.3448
            17  C8x C    25.7572  -21.2595
            18  C8y C    25.7508  -22.6516
            19  C1x C    33.0283  -21.2934
            20  O5x O    33.0929  -17.0556
            21  O2a O    24.5249  -23.3782
            22  C1a C    23.3007  -22.6899
BOND        25
            1     1   2 1
            2     1   3 1
            3     2   5 2
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     3   9 1 #Up
            8     4  10 1
            9     5  11 1
            10    5  12 1
            11    6  13 1
            12   11  14 2
            13   11  15 1
            14   14  16 1
            15   15  17 2
            16   16  18 2
            17    7  12 1
            18    8  10 1
            19   13  14 1
            20   17  18 1
            21    4  19 1
            22   19   1 1
            23    8  20 2
            24   18  21 1
            25   21  22 1


entry: C15125
name: --- - N-(Cyclohexylmethyl)-N-methylbenzenamine - N-Methyl-N-phenylcyclohexanemethylamine
formula: C14H21N
kcf:
ATOM        15
            1   C1y C    22.7088  -13.4810
            2   C1b C    23.9133  -14.1827
            3   C1x C    21.4927  -14.1827
            4   C1x C    22.7088  -12.0836
            5   N1c N    25.1237  -13.4810
            6   C1x C    20.2823  -13.4810
            7   C1x C    21.4927  -11.3819
            8   C8y C    26.3341  -14.1827
            9   C1a C    25.1296  -12.0836
            10  C1x C    20.2823  -12.0836
            11  C8x C    27.5445  -13.4810
            12  C8x C    26.3283  -15.5801
            13  C8x C    28.7608  -14.1827
            14  C8x C    27.5445  -16.2877
            15  C8x C    28.7608  -15.5860
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     6  10 1
            10    8  11 2
            11    8  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 2
            15    7  10 1
            16   14  15 1


entry: C15126
name: --- - 2,17beta-Dihydroxy-17-methylandrosta-1,4-dien-3-one
formula: C20H28O3
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C2x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1z C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C2y C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O1a O    21.2026  -19.0845
            22  O1a O    29.4047  -15.6800
            23  C1a C    30.7500  -16.7120
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 2
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   18  21 1
            25   14  22 1 #Up
            26   14  23 1 #Down


entry: C15127
name: --- - 6alpha-Fluoropregn-4-ene-3,20-dione - 6alpha-Fluoroprogesterone
formula: C21H29FO2
kcf:
ATOM        24
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1y C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  X   F    25.5211  -24.0094
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
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27    9  24 1 #Down


entry: C15128
name: --- - 1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol
formula: C25H33NO
kcf:
ATOM        27
            1   C1y C    27.0200  -19.8100
            2   C1y C    25.9000  -19.1100
            3   C1y C    28.2100  -19.1100
            4   C1x C    27.0200  -21.2100
            5   C1z C    24.7100  -19.8100
            6   C1x C    25.9000  -17.7800
            7   C1z C    28.2100  -17.7800
            8   C1x C    30.5900  -19.1100
            9   C1x C    25.9000  -21.7700
            10  C1y C    24.7100  -21.1400
            11  C1x C    23.5900  -19.1100
            12  C1a C    24.7100  -18.2000
            13  C1x C    27.0200  -17.0800
            14  C1y C    29.4000  -17.0800
            15  C1a C    28.2100  -16.1700
            16  C1x C    30.5900  -17.7800
            17  C1x C    23.5900  -21.8400
            18  C8y C    22.4000  -19.8100
            19  C8y C    22.4000  -21.1400
            20  O1a O    29.4000  -15.6800
            21  C8y C    19.9751  -19.8100
            22  C8y C    19.9751  -21.1400
            23  N4x N    21.1876  -21.8400
            24  C8x C    18.7627  -19.1100
            25  C8x C    17.5503  -19.8100
            26  C8x C    17.5503  -21.1400
            27  C8x C    18.7627  -21.8400
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 2
            23   14  20 1 #Up
            24   18  21 1
            25   21  22 2
            26   22  23 1
            27   19  23 1
            28   21  24 1
            29   24  25 2
            30   25  26 1
            31   26  27 2
            32   22  27 1


entry: C15129
name: --- - Estra-1,3,5(10)-triene-2,17beta-diol - 2-Hydroxy-3-deoxyestradiol
formula: C18H24O2
kcf:
ATOM        20
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8y C    22.3057  -20.0453
            18  C8x C    22.2995  -21.3980
            19  O1a O    21.1096  -19.3339
            20  O1a O    29.3656  -15.9605
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   17  19 1
            23    8  20 1 #Up


entry: C15130
name: --- - 6beta,19-Epoxypregn-4-ene-3,20-dione
formula: C21H28O3
kcf:
ATOM        24
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1y C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1x C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O2x O    25.5800  -21.2419
BOND        28
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27    9  24 1 #Up
            28   12  24 1


entry: C15131
name: --- - 2,5-Dimethoxystilbene - 1,4-Dimethoxy-2-(2-phenylethenyl)benzene
formula: C16H16O2
kcf:
ATOM        18
            1   C8x C    27.5701  -19.9625
            2   C8x C    27.5701  -21.3628
            3   C8y C    28.7866  -22.0664
            4   C8y C    29.9958  -21.3628
            5   C8x C    29.9958  -19.9625
            6   C8y C    28.7866  -19.2660
            7   C2b C    31.2100  -22.0654
            8   C2b C    32.4229  -21.3609
            9   C8y C    33.6370  -22.0637
            10  C8x C    33.6360  -23.4591
            11  C8x C    34.8500  -24.1548
            12  C8x C    36.0560  -23.4572
            13  C8x C    36.0550  -22.0571
            14  C8x C    34.8480  -21.3543
            15  O2a O    28.7883  -17.8659
            16  C1a C    30.0027  -17.1638
            17  O2a O    28.7882  -23.4499
            18  C1a C    27.5629  -24.1592
BOND        19
            1     3   4 1
            2     4   5 2
            3     5   6 1
            4     6   1 2
            5     9  10 2
            6    10  11 1
            7    11  12 2
            8    12  13 1
            9    13  14 2
            10   14   9 1
            11    4   7 1
            12    1   2 1
            13    6  15 1
            14    7   8 2
            15    2   3 2
            16   15  16 1
            17    8   9 1
            18    3  17 1
            19   17  18 1


entry: C15132
name: --- - 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione
formula: C21H30O3
kcf:
ATOM        24
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1y C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C1y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1y C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C1x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O2x O    25.2824  -17.8334
BOND        28
            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    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27    6  24 1 #Down
            28   13  24 1 #Down


entry: C15133
name: --- - 4-Methyl-4-aza-5-pregnene-3,20-dione
formula: C21H31NO2
kcf:
ATOM        24
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C2x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  N1y N    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  C1a C    23.3664  -24.0799
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
            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    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 2
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   16  24 1


entry: C15134
name: --- - 3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone
formula: C15H18O2
kcf:
ATOM        17
            1   C8x C    15.1200  -15.2600
            2   C8y C    15.1200  -16.6600
            3   C8x C    16.3324  -17.3600
            4   C8y C    17.5449  -16.6600
            5   C8y C    17.5449  -15.2600
            6   C8x C    16.3324  -14.5600
            7   C1x C    18.7573  -17.3600
            8   C1x C    19.9697  -16.6600
            9   C1y C    19.9697  -15.2600
            10  C1x C    18.7573  -14.5600
            11  C1y C    21.1673  -14.5685
            12  C1x C    22.4203  -15.1263
            13  C1x C    23.3381  -14.1069
            14  C5x C    22.6523  -12.9191
            15  C1x C    21.3106  -13.2043
            16  O5x O    23.2150  -11.6562
            17  O1a O    13.9076  -17.3600
BOND        19
            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 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   14  15 1
            17   11  15 1
            18   14  16 2
            19    2  17 1


entry: C15135
name: --- - 3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate
formula: C21H28O4
kcf:
ATOM        25
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C2x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C4a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C5x C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1y C    22.4203  -21.1309
            20  O4a O    23.5022  -17.4920
            21  O7a O    21.1852  -21.8359
            22  C7a C    19.9966  -21.1417
            23  C1a C    18.7991  -21.8252
            24  O7a O    20.0035  -19.7401
            25  O5x O    29.4047  -15.6800
BOND        28
            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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 2
            21   14  16 1
            22   18  19 1
            23   12  20 2
            24   19  21 1 #Up
            25   21  22 1
            26   22  23 1
            27   22  24 2
            28   14  25 2


entry: C15136
name: --- - 3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one - Isoandrololactone
formula: C19H30O3
kcf:
ATOM        22
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  O7x O    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C7x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1y C    22.4203  -21.1309
            20  O1a O    21.1852  -21.8359
            21  C1x C    29.3706  -19.7977
            22  O7x O    31.7900  -17.0590
BOND        25
            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     4   9 1
            8     5  10 1
            9     5  11 1
            10    5  12 1 #Up
            11    6  13 1
            12    7  14 1
            13    7  15 1 #Up
            14    8  16 1
            15   10  17 1
            16   11  18 1
            17   17  19 1
            18    7  13 1
            19    9  10 1
            20   14  16 1
            21   18  19 1
            22   19  20 1 #Up
            23    8  21 1
            24   21   3 1
            25   16  22 2


entry: C15137
name: --- - 17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3- one
formula: C21H34O3
kcf:
ATOM        24
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1z C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1y C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O1a O    29.4047  -15.6800
            22  C1b C    21.2026  -19.0845
            23  O1a O    19.9817  -19.7818
            24  C1a C    30.7500  -16.7120
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
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25   18  22 1 #Down
            26   22  23 1
            27   14  24 1 #Down


entry: C15138
name: --- - 17beta-Methoxyandrost-5-ene-3beta,16beta-diol
formula: C20H32O3
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C2x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1y C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1y C    22.4203  -21.1309
            20  O1a O    21.1852  -21.8359
            21  O1a O    31.7900  -17.0590
            22  O2a O    29.4047  -15.6800
            23  C1a C    30.6171  -14.9881
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 2
            21   14  16 1
            22   18  19 1
            23   19  20 1 #Up
            24   16  21 1 #Up
            25   14  22 1 #Up
            26   22  23 1


entry: C15139
name: --- - D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate
formula: C21H34O3
kcf:
ATOM        24
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  O2x O    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1y C    22.4203  -21.1309
            20  C1x C    29.3706  -19.7977
            21  O7a O    21.1852  -21.8359
            22  C7a C    19.9966  -21.1417
            23  C1a C    18.7991  -21.8252
            24  O7a O    20.0035  -19.7401
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     4   9 1
            8     5  10 1
            9     5  11 1
            10    5  12 1 #Up
            11    6  13 1
            12    7  14 1
            13    7  15 1 #Up
            14    8  16 1
            15   10  17 1
            16   11  18 1
            17   17  19 1
            18    7  13 1
            19    9  10 1
            20   14  16 1
            21   18  19 1
            22    8  20 1
            23   20   3 1
            24   19  21 1 #Up
            25   21  22 1
            26   22  23 1
            27   22  24 2


entry: C15140
name: --- - 3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol
formula: C20H32F2O
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1z C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1z C    22.4203  -21.1309
            20  O1a O    29.4047  -15.6800
            21  X   F    21.0203  -21.1309
            22  X   F    22.0580  -22.4832
            23  C1a C    30.7500  -16.7120
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   14  20 1 #Up
            24   19  21 1
            25   19  22 1
            26   14  23 1 #Down


entry: C15141
name: --- - N-(Phenylmethyl)-N-methyl-2-pyridinamine
formula: C13H14N2
kcf:
ATOM        15
            1   C8x C    21.6589  -19.7113
            2   C8x C    21.6589  -21.1140
            3   C8x C    22.8736  -21.8154
            4   C8x C    24.0885  -21.1140
            5   C8y C    24.0885  -19.7113
            6   N5x N    22.8736  -19.0100
            7   N1c N    25.3219  -18.9990
            8   C1b C    26.5295  -19.6960
            9   C8y C    27.7141  -19.0119
            10  C8x C    28.9104  -19.7025
            11  C8x C    30.1251  -19.0012
            12  C8x C    30.1251  -17.5984
            13  C8x C    28.9289  -16.9078
            14  C8x C    27.7141  -17.6092
            15  C1a C    25.3216  -17.6074
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 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    7  15 1


entry: C15142
name: --- - 3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol
formula: C20H26O2
kcf:
ATOM        22
            1   C1y C    28.2332  -19.3833
            2   C2y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C2y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8x C    22.3057  -20.0453
            18  C8y C    22.2995  -21.3980
            19  C1x C    29.3709  -20.0782
            20  O1a O    29.3656  -15.9605
            21  O2a O    21.1084  -22.1039
            22  C1a C    19.9189  -21.4352
BOND        25
            1     1   2 1
            2     1   3 1
            3     2   5 2
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     3   9 1 #Up
            8     4  10 1
            9     5  11 1
            10    5  12 1
            11    6  13 1
            12   11  14 2
            13   11  15 1
            14   14  16 1
            15   15  17 2
            16   16  18 2
            17    7  12 1
            18    8  10 1
            19   13  14 1
            20   17  18 1
            21    4  19 1
            22   19   1 1
            23    8  20 1 #Up
            24   18  21 1
            25   21  22 1


entry: C15143
name: --- - (2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone
formula: C19H16I2O3
kcf:
ATOM        24
            1   C8y C    25.9744  -17.4978
            2   C8y C    23.6511  -17.4978
            3   C8y C    25.9686  -18.8861
            4   C5a C    27.0782  -16.7834
            5   C8y C    23.6394  -18.8803
            6   C8x C    22.3846  -16.7948
            7   O2x O    24.7778  -19.5891
            8   C1b C    27.1769  -19.5832
            9   C8y C    28.2284  -17.4281
            10  O5a O    27.0958  -15.6156
            11  C8x C    22.3672  -19.5658
            12  C8x C    21.1121  -17.4803
            13  C1b C    27.1769  -20.9715
            14  C8x C    28.2403  -18.7410
            15  C8x C    29.3552  -16.7599
            16  C8x C    21.1704  -18.8628
            17  C8y C    29.3901  -19.3857
            18  C8y C    30.5754  -17.3991
            19  C8y C    30.5987  -18.7120
            20  O1a O    31.7253  -19.3857
            21  C1b C    28.3936  -21.6740
            22  C1a C    28.3934  -23.0602
            23  X   I    31.7590  -16.6682
            24  X   I    29.4066  -20.8097
BOND        26
            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     4  10 2
            10    5  11 1
            11    6  12 2
            12    8  13 1
            13    9  14 2
            14    9  15 1
            15   11  16 2
            16   14  17 1
            17   15  18 2
            18   17  19 2
            19   19  20 1
            20    5   7 1
            21   12  16 1
            22   18  19 1
            23   13  21 1
            24   21  22 1
            25   18  23 1
            26   17  24 1


entry: C15144
name: --- - 16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one
formula: C19H28O3
kcf:
ATOM        22
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1z C    30.5790  -18.0653
            11  C1y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C2y C    24.7092  -21.3980
            15  C1x C    23.5421  -19.3660
            16  C2x C    23.5421  -22.0715
            17  C1x C    22.3057  -20.0453
            18  C5x C    22.2995  -21.3980
            19  O5x O    21.1084  -22.1040
            20  O1a O    31.8113  -17.3756
            21  O1a O    29.4356  -15.9605
            22  C1a C    31.7915  -18.7653
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   11  15 1
            15   14  16 2
            16   15  17 1
            17   16  18 1
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 2
            23   10  20 1 #Up
            24    8  21 1 #Up
            25   10  22 1 #Down


entry: C15145
name: --- - 4,4-Bis[4-(acetyloxy)phenyl]3-hexanone - 4,4-Bis(4-hydroxyphenyl)-3-hexanone diacetate
formula: C22H24O5
kcf:
ATOM        27
            1   C8x C    22.8729  -19.7060
            2   C8y C    22.8650  -21.1080
            3   C8x C    24.0781  -21.8160
            4   C8x C    25.2921  -21.1219
            5   C8y C    25.3000  -19.7199
            6   C8x C    24.0942  -19.0120
            7   O7a O    21.6471  -21.8027
            8   C1d C    26.5187  -19.0269
            9   C8y C    27.7284  -19.7357
            10  C1b C    27.7246  -18.3136
            11  C8x C    27.7854  -21.1311
            12  C8x C    28.9248  -21.8400
            13  C8y C    30.1437  -21.1469
            14  C8x C    30.1527  -19.7449
            15  C8x C    28.9430  -19.0361
            16  O7a O    31.3531  -21.8558
            17  C1a C    27.7544  -16.8917
            18  C5a C    25.3063  -18.3269
            19  C1b C    25.3063  -16.9269
            20  C1a C    24.3163  -15.9369
            21  O5a O    23.9540  -18.3145
            22  C7a C    20.4112  -21.0811
            23  C1a C    19.2219  -21.7601
            24  O7a O    20.4179  -19.6702
            25  C7a C    32.5821  -21.1571
            26  C1a C    33.7585  -21.8468
            27  O7a O    32.5220  -19.7406
BOND        28
            1     2   3 1
            2     8   9 1
            3     3   4 2
            4     4   5 1
            5     8  10 1
            6     5   6 2
            7     6   1 1
            8     2   7 1
            9     1   2 2
            10    9  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15   9 1
            16    5   8 1
            17   13  16 1
            18   10  17 1
            19    8  18 1
            20   18  19 1
            21   19  20 1
            22   18  21 2
            23    7  22 1
            24   22  23 1
            25   22  24 2
            26   16  25 1
            27   25  26 1
            28   25  27 2


entry: C15146
name: --- - Pregna-4,16-diene-3,11,20-trione
formula: C21H26O3
kcf:
ATOM        24
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C5x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C2y C    28.9189  -18.1608
            15  C2x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O5x O    24.3453  -18.1167
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
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 2
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27    6  24 2


entry: C15147
name: --- - 9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione
formula: C20H25FO3
kcf:
ATOM        24
            1   C1y C    27.0475  -19.7828
            2   C1z C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1y C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C2x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C5x C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1y C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C2x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  X   F    25.8755  -20.4324
            21  O5x O    21.1852  -21.8359
            22  O5x O    29.4047  -15.6800
            23  O1a O    24.6846  -17.0852
            24  C1a C    31.7900  -17.0590
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
            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 2
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23    2  20 1 #Down
            24   19  21 2
            25   14  22 2
            26    6  23 1 #Up
            27   16  24 1 #Down


entry: C15148
name: --- - 9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione
formula: C22H29FO3
kcf:
ATOM        26
            1   C1y C    26.6870  -20.7306
            2   C1z C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C5x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1y C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  X   F    25.5683  -21.3483
            22  C1a C    27.7943  -17.4018
            23  O5x O    21.0654  -22.7100
            24  O5a O    27.6886  -16.1857
            25  O5x O    24.3453  -18.1167
            26  C1a C    31.2352  -18.1175
BOND        29
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    2  21 1 #Down
            25    7  22 1 #Up
            26   19  23 2
            27   18  24 2
            28    6  25 2
            29   15  26 1 #Down


entry: C15149
name: --- - 17beta-Acetamidoandrost-4-en-3-one
formula: C21H31NO2
kcf:
ATOM        24
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  N1b N    29.4047  -15.6800
            22  C5a C    30.6171  -14.9881
            23  C1a C    31.8022  -15.6804
            24  O5a O    30.6244  -13.5804
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
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25   21  22 1
            26   22  23 1
            27   22  24 2


entry: C15150
name: --- - 14-Hydroxyandrosta-1,4-diene-3,17-dione
formula: C19H24O3
kcf:
ATOM        22
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1z C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C2x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C5x C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C2x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O1a O    28.2894  -20.4205
            21  O5x O    21.1852  -21.8359
            22  O5x O    29.4047  -15.6800
BOND        25
            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 2
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23    3  20 1 #Down
            24   19  21 2
            25   14  22 2


entry: C15151
name: --- - 17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate
formula: C19H26O4
kcf:
ATOM        23
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C1y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C1y C    24.7092  -21.3980
            15  C2x C    23.5421  -19.3660
            16  O7x O    23.5421  -22.0715
            17  C2x C    22.3057  -20.0453
            18  C7x C    22.2995  -21.3980
            19  O7x O    21.1084  -22.1040
            20  O7a O    29.3656  -15.9605
            21  C7a C    30.5761  -15.2005
            22  C1a C    31.8200  -15.8587
            23  O7a O    30.5939  -13.7916
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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 1
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 2
            23    8  20 1 #Up
            24   20  21 1
            25   21  22 1
            26   21  23 2


entry: C15152
name: --- - 4,4-Difluoropregn-5-ene-3,20-dione
formula: C21H28F2O2
kcf:
ATOM        25
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C2x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C1z C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  X   F    22.3816  -23.6435
            25  X   F    24.3614  -23.6435
BOND        28
            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    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 2
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   16  24 1
            28   16  25 1


entry: C15153
formula: C17H20O3
name:
--- 
- (-)-Methallenestrilphenol
- (-)-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid
- (-)-beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid

kcf:
ATOM        20
            1   C8y C    24.6469  -21.1460
            2   C8y C    24.6469  -19.7456
            3   C8x C    23.4565  -21.8461
            4   C8x C    25.9072  -21.8461
            5   C8x C    23.4565  -18.9753
            6   C8x C    25.9072  -18.9753
            7   C8y C    22.2662  -21.1460
            8   C8x C    27.1676  -21.1460
            9   C8x C    22.2662  -19.7456
            10  C8y C    27.1676  -19.7456
            11  C1c C    28.3579  -18.9753
            12  O1a O    21.0059  -21.8461
            13  C1d C    29.6183  -19.7456
            14  C1b C    28.3579  -17.5749
            15  C1a C    27.1676  -16.8747
            16  C6a C    30.8086  -18.9753
            17  O6a O    31.9990  -19.7456
            18  O6a O    30.8086  -17.5749
            19  C1a C    28.9181  -20.7258
            20  C1a C    30.3185  -20.7258
BOND        21
            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   9 1
            11    8  10 1
            12   10  11 1
            13    7  12 1
            14   11  13 1
            15   11  14 1 #Down
            16   14  15 1
            17   13  16 1
            18   16  17 1
            19   16  18 2
            20   13  19 1
            21   13  20 1


entry: C15154
name: --- - 4beta,5beta-Epoxypregnane-3,20-dione
formula: C21H30O3
kcf:
ATOM        24
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C1z C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C1y C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O2x O    24.5839  -23.3536
BOND        28
            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    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   16  24 1 #Up
            28   10  24 1 #Up


entry: C15155
name: --- - 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione
formula: C22H31BrO3
kcf:
ATOM        26
            1   C1y C    26.6870  -20.7306
            2   C1z C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1y C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1y C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  X   Br   25.5683  -21.3483
            22  C1a C    27.7943  -17.4018
            23  O5x O    21.0654  -22.7100
            24  O5a O    27.6886  -16.1857
            25  O1a O    24.3454  -18.1167
            26  C1a C    31.2351  -18.1175
BOND        29
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    2  21 1 #Down
            25    7  22 1 #Up
            26   19  23 2
            27   18  24 2
            28    6  25 1 #Up
            29   15  26 1 #Down


entry: C15156
name: --- - 3-Acetyl-5alpha-androst-2-en-17beta-ol
formula: C21H32O2
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C2x C    22.4203  -19.7950
            19  C2y C    22.4203  -21.1309
            20  O1a O    29.4047  -15.6800
            21  C5a C    21.1852  -21.8359
            22  C1a C    19.9966  -21.1417
            23  O5a O    21.1782  -23.2396
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 2
            23   14  20 1 #Up
            24   19  21 1
            25   21  22 1
            26   21  23 2


entry: C15157
name: --- - 3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate
formula: C23H36O4
kcf:
ATOM        27
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1z C    22.4203  -21.1309
            20  O7a O    21.1852  -21.8359
            21  O1a O    29.4047  -15.6800
            22  C7a C    19.9966  -21.1417
            23  C1a C    18.7991  -21.8252
            24  O7a O    20.0035  -19.7401
            25  C5a C    22.4203  -22.5309
            26  C1a C    21.1887  -23.2420
            27  O5a O    23.6213  -23.2244
BOND        30
            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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 1 #Up
            24   14  21 1 #Up
            25   20  22 1
            26   22  23 1
            27   22  24 2
            28   19  25 1 #Down
            29   25  26 1
            30   25  27 2


entry: C15158
name: --- - 3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one
formula: C21H30O2
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C5x C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1z C    22.4203  -21.1309
            20  O5x O    29.4047  -15.6800
            21  C3b C    21.1852  -21.8359
            22  O1a O    22.4203  -22.5309
            23  C3a C    19.9728  -22.5359
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   14  20 2
            24   19  21 1 #Down
            25   19  22 1 #Up
            26   21  23 3


entry: C15159
formula: C20H30O4
name:
--- 
- 3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha- androstan-17-oic acid, delta-lactone

kcf:
ATOM        24
            1   C2y C    24.3600  -25.9700
            2   C7x C    24.3600  -24.6400
            3   O7x O    25.5500  -23.9400
            4   C1x C    23.1476  -26.6700
            5   C1y C    20.7900  -26.6700
            6   C1y C    19.6700  -25.9700
            7   C1y C    21.9800  -25.9700
            8   C1x C    20.7900  -28.0700
            9   C1z C    18.4800  -26.6700
            10  C1x C    19.6700  -24.6400
            11  C1z C    21.9800  -24.6400
            12  C1x C    19.6700  -28.6300
            13  C1y C    18.4800  -28.0000
            14  C1x C    17.3600  -25.9700
            15  C1a C    18.4800  -25.0600
            16  C1x C    20.7900  -23.9400
            17  O7x O    23.1700  -23.9400
            18  C1a C    21.9800  -23.0300
            19  C1x C    17.3600  -28.6300
            20  C1x C    16.1700  -26.6700
            21  C1y C    16.1700  -28.0000
            22  O1a O    14.9800  -28.7000
            23  C2b C    25.5724  -26.6700
            24  O1a O    26.7679  -25.9796
BOND        27
            1     1   2 1
            2     2   3 2
            3     1   4 1
            4     5   6 1
            5     5   7 1
            6     5   8 1
            7     6   9 1
            8     6  10 1
            9     7  11 1
            10    8  12 1
            11    9  13 1
            12    9  14 1
            13    9  15 1 #Up
            14   10  16 1
            15   11  17 1
            16   11  18 1 #Up
            17   13  19 1
            18   14  20 1
            19   19  21 1
            20   11  16 1
            21   12  13 1
            22   20  21 1
            23   21  22 1 #Up
            24    4   7 1
            25    1  23 2
            26   23  24 1
            27    2  17 1


entry: C15160
name: --- - 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)- 2H-1-benzopyran-7-ol
formula: C25H31NO3
kcf:
ATOM        29
            1   C8y C    25.7360  -17.8354
            2   C8y C    25.7360  -19.2336
            3   C2y C    26.9469  -19.9329
            4   C2y C    28.1582  -19.2336
            5   C1z C    28.1582  -17.8354
            6   O2x O    26.9469  -17.1361
            7   C8x C    24.5250  -17.1361
            8   C8y C    23.3139  -17.8354
            9   C8y C    23.3139  -19.2336
            10  C8x C    24.5250  -19.9329
            11  C8y C    29.3716  -19.9343
            12  C1b C    26.9467  -21.3554
            13  C8x C    29.3721  -21.3550
            14  C8x C    30.5850  -22.0549
            15  C8y C    31.7976  -21.3541
            16  C8x C    31.7971  -19.9335
            17  C8x C    30.5840  -19.2336
            18  O2a O    33.0040  -22.0502
            19  C1a C    28.9407  -16.6929
            20  C1a C    29.3709  -18.5356
            21  C1a C    25.7377  -22.0533
            22  C1b C    22.0911  -19.9395
            23  N1y N    20.9024  -19.2530
            24  C1x C    20.7560  -17.8582
            25  C1x C    19.3843  -17.5664
            26  C1x C    18.6828  -18.7810
            27  C1x C    19.6211  -19.8234
            28  C1a C    34.1989  -21.3598
            29  O1a O    22.1049  -17.1375
BOND        32
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    4  11 1
            13    3  12 1
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   11  17 1
            20   15  18 1
            21    5  19 1
            22    5  20 1
            23   12  21 1
            24    9  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   23  27 1
            31   18  28 1
            32    8  29 1


entry: C15161
name: --- - 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran- 8-methanol diacetate
formula: C25H28O6
kcf:
ATOM        31
            1   C8y C    25.7382  -17.8369
            2   C8y C    25.7382  -19.2353
            3   C2y C    26.9492  -19.9346
            4   C2y C    28.1606  -19.2353
            5   C1z C    28.1606  -17.8369
            6   O2x O    26.9492  -17.1376
            7   C8y C    24.5271  -17.1376
            8   C8y C    23.3159  -17.8369
            9   C8x C    23.3159  -19.2353
            10  C8x C    24.5271  -19.9346
            11  C1b C    24.5269  -15.7503
            12  O7a O    23.2942  -15.0386
            13  C1b C    26.9491  -21.3500
            14  C1a C    25.7373  -22.0495
            15  O7a O    22.1047  -17.1377
            16  C8y C    29.3637  -19.9301
            17  C8x C    29.3640  -21.3496
            18  C8x C    30.5766  -22.0493
            19  C8y C    31.7889  -21.3491
            20  C8x C    31.7886  -19.9296
            21  C8x C    30.5760  -19.2298
            22  O2a O    32.9952  -22.0453
            23  C1a C    34.1865  -21.3570
            24  C1a C    28.8606  -16.6245
            25  C1a C    29.4429  -18.5493
            26  C7a C    20.8986  -17.8342
            27  C1a C    19.7165  -17.1519
            28  O7a O    20.8984  -19.2496
            29  C7a C    23.2943  -13.6501
            30  C1a C    24.5185  -12.9433
            31  O7a O    22.0937  -12.9568
BOND        33
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    7  11 1
            13   11  12 1
            14    3  13 1
            15   13  14 1
            16    8  15 1
            17    4  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   19  22 1
            25   22  23 1
            26    5  24 1
            27    5  25 1
            28   15  26 1
            29   26  27 1
            30   26  28 2
            31   12  29 1
            32   29  30 1
            33   29  31 2


entry: C15162
name: --- - 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)- 2H-1-benzopyran-7-ol
formula: C25H31NO3
kcf:
ATOM        29
            1   C8y C    25.7382  -17.8369
            2   C8y C    25.7382  -19.2353
            3   C2y C    26.9492  -19.9346
            4   C2y C    28.1606  -19.2353
            5   C1z C    28.1606  -17.8369
            6   O2x O    26.9492  -17.1376
            7   C8y C    24.5271  -17.1376
            8   C8y C    23.3159  -17.8369
            9   C8x C    23.3159  -19.2353
            10  C8x C    24.5271  -19.9346
            11  C8y C    29.3741  -19.9360
            12  C1b C    26.9490  -21.3572
            13  C8x C    29.3746  -21.3568
            14  C8x C    30.5876  -22.0568
            15  C8y C    31.8004  -21.3559
            16  C8x C    31.7999  -19.9352
            17  C8x C    30.5866  -19.2353
            18  O2a O    33.0069  -22.0521
            19  C1a C    28.9432  -16.6943
            20  C1a C    29.3734  -18.5372
            21  C1a C    25.7399  -22.0552
            22  C1a C    34.2019  -21.3616
            23  O1a O    22.1068  -17.1390
            24  C1b C    24.5269  -15.7503
            25  N1y N    23.2942  -15.0386
            26  C1x C    23.1494  -13.6592
            27  C1x C    21.7928  -13.3708
            28  C1x C    21.0992  -14.5718
            29  C1x C    22.0272  -15.6026
BOND        32
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    4  11 1
            13    3  12 1
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   11  17 1
            20   15  18 1
            21    5  19 1
            22    5  20 1
            23   12  21 1
            24   18  22 1
            25    8  23 1
            26    7  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   25  29 1


entry: C15163
name: --- - 17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol
formula: C26H33NO2
kcf:
ATOM        29
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1z C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8x C    22.3057  -20.0453
            18  C8y C    22.2995  -21.3980
            19  O1a O    21.1084  -22.1040
            20  O1a O    29.3656  -15.9605
            21  C1b C    30.6124  -16.6600
            22  N1b N    31.8249  -17.3600
            23  C1b C    33.0373  -16.6600
            24  C8y C    34.2497  -17.3600
            25  C8x C    34.2497  -18.7599
            26  C8x C    35.4622  -19.4599
            27  C8x C    36.6746  -18.7599
            28  C8x C    36.6746  -17.3600
            29  C8x C    35.4622  -16.6600
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
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 1
            23    8  20 1 #Up
            24    8  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1


entry: C15164
name: --- - 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
formula: C19H27FO3
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1y C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1y C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  X   F    27.0415  -15.6804
            22  O1a O    24.6846  -17.0852
            23  O1a O    29.4047  -15.6800
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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   13  21 1 #Down
            25    6  22 1 #Up
            26   14  23 1 #Up


entry: C15165
name: --- - 12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one
formula: C19H25FO3
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1y C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C2x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1y C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C2x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  X   F    27.0415  -15.6804
            22  O1a O    24.6845  -17.0852
            23  O1a O    29.4047  -15.6800
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 2
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   13  21 1 #Down
            25    6  22 1 #Up
            26   14  23 1 #Up


entry: C15166
formula: C21H31FO3
name:
--- 
- 5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate
- (2alpha,5alpha,17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one

kcf:
ATOM        25
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1y C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O7a O    29.4047  -15.6800
            22  C7a C    30.6171  -14.9881
            23  C1a C    31.8022  -15.6804
            24  O7a O    30.6244  -13.5804
            25  X   F    21.2026  -19.0845
BOND        28
            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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25   21  22 1
            26   22  23 1
            27   22  24 2
            28   18  25 1 #Down


entry: C15167
name: --- - 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one
formula: C21H28O2
kcf:
ATOM        23
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C8y C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C8y C    24.4728  -22.0126
            11  C8x C    23.3715  -20.1130
            12  C1x C    26.6754  -18.1667
            13  C1y C    28.9189  -18.1608
            14  C1x C    30.0261  -18.8077
            15  C8x C    23.3715  -22.6536
            16  C8x C    22.2876  -20.7423
            17  C5a C    28.9189  -16.9021
            18  C8y C    22.2876  -22.0126
            19  C1a C    30.0087  -16.2845
            20  C1a C    27.7943  -17.4018
            21  O5a O    27.6886  -16.1857
            22  O2a O    21.0654  -22.7100
            23  C1a C    19.8470  -21.9986
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 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   11  16 2
            16   13  17 1 #Up
            17   15  18 2
            18   17  19 1
            19    7  12 1
            20    9  10 1
            21   13  14 1
            22   16  18 1
            23    7  20 1 #Up
            24   17  21 2
            25   18  22 1
            26   22  23 1


entry: C15168
name: --- - 4,4'-(2-Ethyl-1-butenylidene)diphenol - 1,1-Bis(4-hydroxyphenyl)-2-ethyl-1-butene
formula: C18H20O2
kcf:
ATOM        20
            1   C8x C    22.8274  -19.6772
            2   C8y C    22.8274  -21.0779
            3   C8x C    24.0404  -21.7782
            4   C8x C    25.2535  -21.0779
            5   C8y C    25.2535  -19.6772
            6   C8x C    24.0404  -18.9769
            7   O1a O    21.6145  -21.7782
            8   C2c C    26.4852  -18.9659
            9   C8y C    27.6909  -19.6619
            10  C2c C    26.4849  -17.5763
            11  C8x C    27.6913  -21.0775
            12  C8x C    28.9045  -21.7775
            13  C8y C    30.1174  -21.0768
            14  C8x C    30.1169  -19.6611
            15  C8x C    28.9037  -18.9612
            16  O1a O    31.3262  -21.7742
            17  C1b C    27.6859  -16.8825
            18  C1a C    28.8765  -17.5697
            19  C1b C    25.2509  -16.8642
            20  C1a C    24.0505  -17.5576
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     2   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    9  15 1
            17   13  16 1
            18   10  17 1
            19   17  18 1
            20   10  19 1
            21   19  20 1


entry: C15169
name: --- - 16alpha-Fluoroandrost-4-ene-3,17-dione
formula: C19H25FO2
kcf:
ATOM        22
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C5x C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1y C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O5x O    29.4047  -15.6800
            22  X   F    31.7900  -17.0590
BOND        25
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 2
            25   16  22 1 #Down


entry: C15170
name: --- - 17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one
formula: C20H28O
kcf:
ATOM        21
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C2y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1y C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C2y C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1x C    26.6754  -18.1667
            13  C1z C    28.9189  -18.1608
            14  C1x C    30.0261  -18.8077
            15  C2x C    23.3715  -22.6536
            16  C1x C    22.2876  -20.7423
            17  C1b C    28.9189  -16.9021
            18  C5x C    22.2876  -22.0126
            19  C1a C    30.0087  -16.2845
            20  O5x O    21.0654  -22.7100
            21  C1a C    30.2712  -17.7984
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 2
            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    8  14 1
            14   10  15 2
            15   11  16 1
            16   13  17 1 #Down
            17   15  18 1
            18   17  19 1
            19    7  12 1
            20    9  10 1
            21   13  14 1
            22   16  18 1
            23   18  20 2
            24   13  21 1 #Up


entry: C15171
name: --- - 17beta-Hydroxyestr-4-en-3-one benzoate - Nandrolone benzoate
formula: C25H30O3
kcf:
ATOM        28
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C1y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C2y C    24.7092  -21.3980
            15  C1x C    23.5421  -19.3660
            16  C2x C    23.5421  -22.0715
            17  C1x C    22.3057  -20.0453
            18  C5x C    22.2995  -21.3980
            19  O5x O    21.1084  -22.1040
            20  O7a O    29.3656  -15.9605
            21  C7a C    30.5760  -15.2005
            22  C8y C    31.8200  -15.8586
            23  O7a O    30.5938  -13.7916
            24  C8x C    31.8723  -17.2898
            25  C8x C    33.1095  -17.9451
            26  C8x C    34.2956  -17.2013
            27  C8x C    34.3133  -15.8401
            28  C8x C    33.0061  -15.1148
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   11  15 1
            15   14  16 2
            16   15  17 1
            17   16  18 1
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 2
            23    8  20 1 #Up
            24   20  21 1
            25   21  22 1
            26   21  23 2
            27   22  24 2
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   22  28 1


entry: C15172
formula: C21H29FO4
name:
--- 
- 6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione
- 6alpha-Fluoro-11beta,17-dihydroxyprogesterone

kcf:
ATOM        26
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1y C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1y C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1z C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  X   F    25.5211  -24.0094
            25  O1a O    24.3453  -18.1167
            26  O1a O    30.2712  -17.7984
BOND        29
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27    9  24 1 #Down
            28    6  25 1 #Up
            29   14  26 1 #Down


entry: C15173
formula: C23H37O5P
name:
--- 
- 3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester
- (3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester

kcf:
ATOM        29
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C2x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1y C    30.0261  -18.8077
            16  C1x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C1y C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5a O    27.6886  -16.1857
            23  O1a O    21.0654  -22.7100
            24  P1b P    31.4261  -18.8077
            25  O1c O    32.8261  -18.8077
            26  O2b O    31.4261  -20.2077
            27  O3b O    31.4261  -17.4077
            28  C1b C    32.6511  -20.9148
            29  C1a C    33.8335  -20.2319
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     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    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 2
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   18  22 2
            26   19  23 1 #Up
            27   15  24 1
            28   24  25 1
            29   24  26 1
            30   24  27 2
            31   26  28 1
            32   28  29 1


entry: C15174
name: --- - Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid - 3-O-(Carboxymethyl)estrone
formula: C20H24O4
kcf:
ATOM        24
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C5x C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8x C    22.3057  -20.0453
            18  C8y C    22.2995  -21.3980
            19  O5x O    29.3656  -15.9605
            20  O2a O    21.1084  -22.1040
            21  C1b C    19.9189  -21.4352
            22  C6a C    18.7443  -22.1315
            23  O6a O    17.5311  -21.4494
            24  O6a O    18.7603  -23.5200
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
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22    8  19 2
            23   18  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   22  24 2


entry: C15175
name: --- - 17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
formula: C20H31NO2
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C2x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1z C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  N1y N    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  C1a C    23.5577  -23.1696
            21  O1a O    29.4047  -15.6800
            22  C1a C    30.7500  -16.7121
            23  O5x O    21.1852  -21.8359
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 2
            21   14  16 1
            22   18  19 1
            23   17  20 1
            24   14  21 1 #Up
            25   14  22 1 #Down
            26   19  23 2


entry: C15176
name: --- - 17-Methyl-5alpha-androst-2-ene-1alpha,17beta-diol
formula: C20H32O2
kcf:
ATOM        22
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1y C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1z C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C2x C    22.4203  -19.7950
            19  C2x C    22.4203  -21.1309
            20  O1a O    23.5801  -17.7391
            21  O1a O    29.4047  -15.6800
            22  C1a C    30.7500  -16.7121
BOND        25
            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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 2
            23   11  20 1 #Down
            24   14  21 1 #Up
            25   14  22 1 #Down


entry: C15177
name: --- - 17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol
formula: C21H29NO2
kcf:
ATOM        24
            1   C1y C    27.0200  -19.8100
            2   C1y C    25.9000  -19.1100
            3   C1y C    28.2100  -19.1100
            4   C1x C    27.0200  -21.2100
            5   C1z C    24.7100  -19.8100
            6   C1x C    25.9000  -17.7800
            7   C1z C    28.2100  -17.7800
            8   C1x C    30.5900  -19.1100
            9   C1x C    25.9000  -21.7700
            10  C2y C    24.7100  -21.1400
            11  C1x C    23.5900  -19.1100
            12  C1a C    24.7100  -18.2000
            13  C1x C    27.0200  -17.0800
            14  C1z C    29.4000  -17.0800
            15  C1a C    28.2100  -16.1700
            16  C1x C    30.5900  -17.7800
            17  C2x C    23.5900  -21.7700
            18  C8y C    22.4000  -19.8100
            19  C8y C    22.4000  -21.1400
            20  O1a O    29.4000  -15.6800
            21  C1a C    30.7300  -16.7300
            22  C8x C    19.9751  -19.8100
            23  N5x N    19.9751  -21.1400
            24  O2x O    21.1876  -21.8400
BOND        28
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 2
            23   14  20 1 #Up
            24   14  21 1 #Down
            25   18  22 1
            26   22  23 2
            27   23  24 1
            28   19  24 1


entry: C15178
name: --- - 5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone
formula: C7H9N3O4
kcf:
ATOM        14
            1   C8y C    16.1000  -26.6700
            2   O2x O    17.5000  -26.6700
            3   C8x C    15.6100  -25.3400
            4   N2b N    15.2600  -27.7900 #+
            5   C8y C    17.9200  -25.3400
            6   C8x C    16.8000  -24.5000
            7   O3a O    13.8600  -27.6500
            8   O0  O    15.8200  -29.1200 #-
            9   C2b C    19.0400  -24.5700
            10  N2b N    20.2300  -25.3400
            11  N1b N    21.4900  -24.6400
            12  C1b C    22.6907  -25.3599
            13  C1b C    23.9146  -24.6800
            14  O1a O    25.1474  -25.4187
BOND        14
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     4   8 1
            8     5   9 1
            9     9  10 2
            10   10  11 1
            11    5   6 2
            12   11  12 1
            13   12  13 1
            14   13  14 1


entry: C15179
name: --- - 1,1-Diphenyl-2-(4-methoxyphenyl)propene
formula: C22H20O
kcf:
ATOM        23
            1   C8x C    19.4600  -18.7600
            2   C8y C    19.4600  -20.1600
            3   C8x C    20.6724  -20.8600
            4   C8x C    21.8849  -20.1600
            5   C8y C    21.8849  -18.7600
            6   C8x C    20.6724  -18.0600
            7   C2c C    23.1160  -18.0490
            8   C1a C    24.3212  -18.7447
            9   C2c C    23.1157  -16.6601
            10  C8y C    21.8914  -15.9534
            11  C8x C    21.8913  -14.5601
            12  C8x C    20.6788  -13.8602
            13  C8x C    19.4664  -14.5603
            14  C8x C    19.4665  -15.9536
            15  C8x C    20.6790  -16.6535
            16  C8y C    24.3162  -15.9666
            17  C8x C    25.5062  -16.6535
            18  C8x C    26.7185  -15.9533
            19  C8x C    26.7184  -14.5533
            20  C8x C    25.5284  -13.8665
            21  C8x C    24.3161  -14.5666
            22  O2a O    18.2476  -20.8600
            23  C1a C    17.0521  -20.1696
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     5   7 1
            8     7   8 1
            9     7   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17    9  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24    2  22 1
            25   22  23 1


entry: C15180
name: --- - 17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate
formula: C24H34O4S
kcf:
ATOM        29
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2y C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O7a O    29.4047  -15.6800
            22  S2a S    23.5577  -23.1696
            23  C5a C    22.3675  -23.8524
            24  O5a O    21.1890  -23.1675
            25  C1a C    22.3632  -25.2695
            26  C7a C    30.6171  -14.9881
            27  C1b C    31.8022  -15.6804
            28  O7a O    30.6244  -13.5804
            29  C1a C    33.0015  -14.9960
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25   17  22 1
            26   22  23 1
            27   23  24 2
            28   23  25 1
            29   21  26 1
            30   26  27 1
            31   26  28 2
            32   27  29 1


entry: C15181
name: --- - Wortmannin
formula: C23H24O8
kcf:
ATOM        31
            1   O7x O    21.0700  -16.1000
            2   C7x C    21.0700  -17.5000
            3   C8y C    22.2824  -18.2000
            4   C8y C    23.4949  -17.5000
            5   C1z C    23.4949  -16.1000
            6   C1y C    22.2824  -15.4000
            7   C8y C    24.7073  -18.2000
            8   C5x C    25.9197  -17.5000
            9   C2y C    25.9197  -16.1000
            10  C2y C    24.7073  -15.4000
            11  C1y C    27.1321  -15.4000
            12  C1z C    27.1322  -14.0000
            13  C1x C    25.9198  -13.3000
            14  C1y C    24.7073  -14.0000
            15  C1x C    29.5570  -15.4000
            16  C1x C    29.5570  -14.0000
            17  C5x C    28.3446  -13.3000
            18  C8x C    22.2824  -19.6000
            19  O2x O    24.7073  -19.6000
            20  O7x O    19.8576  -18.2000
            21  O5x O    27.1173  -18.1915
            22  O5x O    28.3446  -11.9000
            23  C1b C    22.2824  -14.0002
            24  O2a O    21.0532  -13.2904
            25  C1a C    19.8493  -13.9854
            26  C1a C    23.4949  -14.7000
            27  O7a O    24.7073  -12.6000
            28  C7a C    23.4969  -11.9012
            29  C1a C    23.4969  -10.5012
            30  O7a O    22.3024  -12.5910
            31  C1a C    27.1322  -12.6000
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            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   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    3  18 2
            22    7  19 1
            23   19  18 1
            24    2  20 2
            25    8  21 2
            26   17  22 2
            27    6  23 1 #Down
            28   23  24 1
            29   24  25 1
            30    5  26 1 #Up
            31   14  27 1 #Down
            32   27  28 1
            33   28  29 1
            34   28  30 2
            35   12  31 1 #Up


entry: C15182
name: --- - Temsirolimus - CCI 779 - 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]rapamycin
formula: C56H87NO16
kcf:
ATOM        73
            1   N1y N    18.3308  -13.4355
            2   C1y C    19.5203  -12.7358
            3   C5x C    18.3308  -14.8350
            4   C1x C    17.0713  -12.7358
            5   C7x C    20.7098  -13.4355
            6   C1x C    19.5203  -11.3364
            7   C5x C    17.0713  -15.5347
            8   O5x O    19.5203  -15.5347
            9   C1x C    17.0713  -11.3364
            10  O7x O    21.8993  -12.7358
            11  O7x O    20.7098  -14.5551
            12  C1x C    18.3308  -10.5667
            13  C1z C    17.0713  -16.9341
            14  O5x O    15.8818  -14.7650
            15  C1y C    23.1588  -13.4355
            16  O2x O    18.2608  -17.6338
            17  C1y C    15.8118  -17.6338
            18  O1a O    16.7913  -18.3335
            19  C1c C    24.3484  -12.7358
            20  C1x C    23.1588  -14.8350
            21  C1y C    18.2608  -19.0333
            22  C1x C    15.8118  -18.9633
            23  C1a C    14.6223  -16.8641
            24  C1b C    25.6078  -13.4355
            25  C1a C    24.3484  -11.3364
            26  C5x C    24.3484  -15.5347
            27  C1x C    19.4503  -19.7330
            28  C1x C    17.0713  -19.7330
            29  C1y C    26.7974  -12.7358
            30  C1y C    24.3484  -16.9341
            31  O5x O    25.6078  -14.7650
            32  C1y C    19.4503  -21.1324
            33  C1x C    27.9869  -13.4355
            34  C1x C    26.7974  -11.3364
            35  C2x C    25.6078  -17.6338
            36  C1a C    23.1588  -17.6338
            37  C2y C    20.6398  -21.8321
            38  O2a O    18.2608  -21.8321
            39  C1y C    29.1764  -12.7358
            40  C1x C    27.9869  -10.6366
            41  C2y C    25.6078  -18.9633
            42  C2x C    20.6398  -23.2316
            43  C1a C    21.8993  -21.1324
            44  C1a C    18.2608  -23.2316
            45  C1y C    29.1764  -11.3364
            46  O7a O    30.4359  -13.4355
            47  C1y C    26.7974  -19.6630
            48  C1a C    24.3484  -19.6630
            49  C2x C    21.8294  -23.9313
            50  O2a O    30.4359  -10.5667
            51  C7a C    31.6254  -12.7358
            52  C1y C    26.7974  -21.0624
            53  O1a O    27.9869  -18.9633
            54  C2x C    21.8294  -25.3307
            55  C5x C    27.9869  -21.7622
            56  O2a O    25.5379  -21.7622
            57  C2x C    23.0889  -26.0304
            58  C1y C    27.9869  -23.1616
            59  O5x O    29.1764  -21.0624
            60  C1a C    25.5379  -23.1616
            61  C2x C    24.2784  -25.3307
            62  C1x C    26.7974  -23.8613
            63  C1a C    29.1764  -23.8613
            64  C1y C    25.6778  -25.3307
            65  C1a C    26.0277  -26.6602
            66  C1d C    32.8149  -13.4355
            67  C1a C    30.4359   -9.1672
            68  O7a O    31.6254  -11.3364
            69  C1b C    34.0325  -12.7457
            70  C1b C    32.8035  -14.8350
            71  C1a C    34.0268  -14.1352
            72  O1a O    35.2303  -13.4110
            73  O1a O    34.0183  -15.5495
BOND        76
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14   10  15 1
            15   13  16 1 #Down
            16   13  17 1
            17   13  18 1 #Up
            18   15  19 1
            19   15  20 1
            20   21  16 1 #Down
            21   17  22 1
            22   17  23 1 #Up
            23   19  24 1
            24   19  25 1 #Up
            25   20  26 1
            26   21  27 1
            27   21  28 1
            28   24  29 1
            29   26  30 1
            30   26  31 2
            31   27  32 1
            32   29  33 1
            33   29  34 1
            34   30  35 1
            35   30  36 1 #Up
            36   32  37 1
            37   32  38 1 #Up
            38   33  39 1
            39   34  40 1
            40   35  41 2
            41   37  42 2
            42   37  43 1
            43   38  44 1
            44   39  45 1
            45   39  46 1 #Down
            46   41  47 1
            47   41  48 1
            48   42  49 1
            49   45  50 1 #Up
            50   46  51 1
            51   47  52 1
            52   47  53 1 #Up
            53   49  54 2
            54   52  55 1
            55   52  56 1 #Down
            56   54  57 1
            57   55  58 1
            58   55  59 2
            59   56  60 1
            60   57  61 2
            61   58  62 1
            62   58  63 1 #Down
            63   61  64 1
            64   64  65 1 #Down
            65    9  12 1
            66   22  28 1
            67   40  45 1
            68   62  64 1
            69   51  66 1
            70   50  67 1
            71   51  68 2
            72   66  69 1
            73   66  70 1
            74   66  71 1
            75   69  72 1
            76   70  73 1


entry: C15183
name: --- - AP 23573 - 42-(Dimethylphosphinate)rapamycin
formula: C53H84NO14P
kcf:
ATOM        69
            1   N1y N    22.2600  -11.8300
            2   C1y C    23.4500  -11.1300
            3   C5x C    22.2600  -13.2300
            4   C1x C    21.0000  -11.1300
            5   C7x C    24.6400  -11.8300
            6   C1x C    23.4500   -9.7300
            7   C5x C    21.0000  -13.9300
            8   O5x O    23.4500  -13.9300
            9   C1x C    21.0000   -9.7300
            10  O7x O    25.8300  -11.1300
            11  O7x O    24.6400  -12.9500
            12  C1x C    22.2600   -8.9600
            13  C1z C    21.0000  -15.3300
            14  O5x O    19.8100  -13.1600
            15  C1y C    27.0900  -11.8300
            16  O2x O    22.1900  -16.0300
            17  C1y C    19.7400  -16.0300
            18  O1a O    21.0000  -16.7300
            19  C1c C    28.2800  -11.1300
            20  C1x C    27.0900  -13.2300
            21  C1y C    22.1900  -17.4300
            22  C1x C    19.7400  -17.3600
            23  C1a C    18.5500  -15.2600
            24  C1b C    29.5400  -11.8300
            25  C1a C    28.2800   -9.7300
            26  C5x C    28.2800  -13.9300
            27  C1x C    23.3800  -18.1300
            28  C1x C    21.0000  -18.1300
            29  C1y C    30.7300  -11.1300
            30  C1y C    28.2800  -15.3300
            31  O5x O    29.5400  -13.1600
            32  C1y C    23.3800  -19.5300
            33  C1x C    31.9200  -11.8300
            34  C1x C    30.7300   -9.7300
            35  C2x C    29.5400  -16.0300
            36  C1a C    27.0900  -16.0300
            37  C2y C    24.5700  -20.2300
            38  O2a O    22.1900  -20.2300
            39  C1y C    33.1100  -11.1300
            40  C1x C    31.9200   -9.0300
            41  C2y C    29.5400  -17.3600
            42  C2x C    24.5700  -21.6300
            43  C1a C    25.8300  -19.5300
            44  C1a C    22.1900  -21.6300
            45  C1y C    33.1100   -9.7300
            46  O2b O    34.3700  -11.8300
            47  C1y C    30.7300  -18.0600
            48  C1a C    28.2800  -18.0600
            49  C2x C    25.7600  -22.3300
            50  O2a O    34.3700   -8.9600
            51  P1a P    35.5600  -11.1300
            52  C1y C    30.7300  -19.4600
            53  O1a O    31.9200  -17.3600
            54  C2x C    25.7600  -23.7300
            55  C5x C    31.9200  -20.1600
            56  O2a O    29.4700  -20.1600
            57  C2x C    27.0200  -24.4300
            58  C1y C    31.9200  -21.5600
            59  O5x O    33.1100  -19.4600
            60  C1a C    29.4700  -21.5600
            61  C2x C    28.2100  -23.7300
            62  C1x C    30.7300  -22.2600
            63  C1a C    33.1100  -22.2600
            64  C1y C    29.6100  -23.7300
            65  C1a C    29.9600  -25.0600
            66  C1a C    36.7500  -11.8300
            67  C1a C    34.3700   -7.5600
            68  O3b O    35.5600   -9.7300
            69  C1a C    36.7724  -10.4300
BOND        72
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14   10  15 1
            15   13  16 1 #Down
            16   13  17 1
            17   13  18 1 #Up
            18   15  19 1
            19   15  20 1
            20   21  16 1 #Down
            21   17  22 1
            22   17  23 1 #Up
            23   19  24 1
            24   19  25 1 #Up
            25   20  26 1
            26   21  27 1
            27   21  28 1
            28   24  29 1
            29   26  30 1
            30   26  31 2
            31   27  32 1
            32   29  33 1
            33   29  34 1
            34   30  35 1
            35   30  36 1 #Up
            36   32  37 1
            37   32  38 1 #Up
            38   33  39 1
            39   34  40 1
            40   35  41 2
            41   37  42 2
            42   37  43 1
            43   38  44 1
            44   39  45 1
            45   39  46 1 #Down
            46   41  47 1
            47   41  48 1
            48   42  49 1
            49   45  50 1 #Up
            50   46  51 1
            51   47  52 1
            52   47  53 1 #Up
            53   49  54 2
            54   52  55 1
            55   52  56 1 #Down
            56   54  57 1
            57   55  58 1
            58   55  59 2
            59   56  60 1
            60   57  61 2
            61   58  62 1
            62   58  63 1 #Down
            63   61  64 1
            64   64  65 1 #Down
            65    9  12 1
            66   22  28 1
            67   40  45 1
            68   62  64 1
            69   51  66 1
            70   50  67 1
            71   51  68 2
            72   51  69 1


entry: C15184
name: --- - 17beta-Hydroxy-6alpha-methylandrost-4-en-3-one - 6alpha-Methyltestosterone
formula: C20H30O2
kcf:
ATOM        22
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1y C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O1a O    29.4047  -15.6800
            22  C1a C    25.8721  -23.1697
BOND        25
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25    9  22 1 #Down


entry: C15185
name: --- - 21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione - 11-Deoxyprednisone acetate
formula: C23H30O5
kcf:
ATOM        28
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C2x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1z C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C2x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1b C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O7a O    31.2426  -17.0098
            25  C7a C    32.4431  -16.3289
            26  C1a C    33.6173  -17.0189
            27  O7a O    32.3845  -14.9107
            28  O1a O    30.2712  -18.0784
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 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 2
            16   11  17 2
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   20  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   14  28 1 #Down


entry: C15186
formula: C23H32O2
name:
--- 
- 5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate
- 17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate

kcf:
ATOM        25
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C1y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1z C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C1x C    23.3715  -22.6536
            17  C2x C    22.2876  -20.7423
            18  C2x C    22.2876  -22.0126
            19  C1a C    27.7943  -17.4018
            20  O7a O    28.9189  -16.7608
            21  C3b C    30.2712  -17.7984
            22  C3a C    31.6235  -17.7861
            23  C7a C    30.1378  -16.0573
            24  C1a C    31.3618  -16.7646
            25  O7a O    30.1375  -14.6304
BOND        28
            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    8  15 1
            15   10  16 1
            16   11  17 1
            17   16  18 1
            18    7  13 1
            19    9  10 1
            20   14  15 1
            21   17  18 2
            22    7  19 1 #Up
            23   14  20 1 #Up
            24   14  21 1 #Down
            25   21  22 3
            26   20  23 1
            27   23  24 1
            28   23  25 2


entry: C15187
name: --- - 11beta,12beta-Epoxypregn-4-ene-3,20-dione - 11beta,12beta-Epoxyprogesterone
formula: C21H28O3
kcf:
ATOM        24
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1y C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1y C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O2x O    25.4224  -17.5534
BOND        28
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27    6  24 1 #Up
            28   13  24 1 #Up


entry: C15188
name: --- - 19-Nor-5alpha-pregnane-3,20-dione
formula: C20H30O2
kcf:
ATOM        22
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1y C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C1y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1x C    26.6754  -18.1667
            13  C1y C    28.9189  -18.1608
            14  C1x C    30.0261  -18.8077
            15  C1x C    23.3715  -22.6536
            16  C1x C    22.2876  -20.7423
            17  C5a C    28.9189  -16.9021
            18  C5x C    22.2876  -22.0126
            19  C1a C    30.0087  -16.2845
            20  C1a C    27.7943  -17.4018
            21  O5x O    21.0654  -22.7100
            22  O5a O    27.6886  -16.1857
BOND        25
            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    8  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 1 #Up
            17   15  18 1
            18   17  19 1
            19    7  12 1
            20    9  10 1
            21   13  14 1
            22   16  18 1
            23    7  20 1 #Up
            24   18  21 2
            25   17  22 2


entry: C15189
name: --- - 3-(4-Chlorophenyl)-2H-1-benzopyran-2-one - 3-(p-Chlorophenyl)coumarin
formula: C15H9ClO2
kcf:
ATOM        18
            1   C8x C    14.0000  -15.8200
            2   C8x C    14.0000  -17.2200
            3   C8x C    15.2124  -17.9200
            4   C8y C    16.4249  -17.2200
            5   C8y C    16.4249  -15.8200
            6   C8x C    15.2124  -15.1200
            7   C8x C    17.6373  -17.9200
            8   C8y C    18.8497  -17.2200
            9   C8y C    18.8497  -15.8200
            10  O7x O    17.6373  -15.1200
            11  C8y C    20.0473  -17.9115
            12  C8x C    20.0473  -19.3197
            13  C8x C    21.2598  -20.0197
            14  C8y C    22.4722  -19.3197
            15  C8x C    22.4722  -17.9115
            16  C8x C    21.2597  -17.2115
            17  X   Cl   23.6831  -20.0188
            18  O7x O    20.0473  -15.1285
BOND        20
            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    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20    9  18 2


entry: C15190
name: --- - 12alpha-Methylpregna-4,9(11)-diene-3,20-dione
formula: C22H30O2
kcf:
ATOM        24
            1   C1y C    26.6870  -20.7306
            2   C2y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C2x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1y C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.2021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -15.5845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -15.4857
            24  C1a C    26.6684  -16.8000
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   13  24 1 #Down


entry: C15191
formula: C18H16O3
name:
--- 
- (2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone
- 2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran

kcf:
ATOM        21
            1   C8y C    26.0484  -18.2004
            2   C8y C    23.7247  -18.2004
            3   C8y C    26.0426  -19.5890
            4   C5a C    27.1523  -17.4859
            5   C8y C    23.7130  -19.5832
            6   C8x C    22.4580  -17.4973
            7   O2x O    24.8516  -20.2921
            8   C1c C    26.9011  -20.6362
            9   C8y C    28.3028  -18.1308
            10  O5a O    27.1700  -16.3180
            11  C8x C    22.4406  -20.2688
            12  C8x C    21.1853  -18.1829
            13  C8x C    28.3146  -19.4439
            14  C8x C    29.4296  -17.4625
            15  C8x C    21.2436  -19.5657
            16  C8x C    29.4646  -20.0887
            17  C8x C    30.5800  -18.1017
            18  C8y C    30.6033  -19.4148
            19  O1a O    31.8001  -20.0887
            20  C1a C    28.4634  -20.6485
            21  C1a C    26.9011  -22.0362
BOND        23
            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     4  10 2
            10    5  11 1
            11    6  12 2
            12    9  13 2
            13    9  14 1
            14   11  15 2
            15   13  16 1
            16   14  17 2
            17   16  18 2
            18   18  19 1
            19    5   7 1
            20   12  15 1
            21   17  18 1
            22    8  20 1
            23    8  21 1


entry: C15192
name: --- - 9beta,11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one
formula: C20H28O3
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1z C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1y C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1z C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O2x O    24.8796  -16.7706
            22  O1a O    29.4047  -15.6800
            23  C1a C    30.7500  -16.7121
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
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24    6  21 1 #Up
            25    2  21 1 #Up
            26   14  22 1 #Up
            27   14  23 1 #Down


entry: C15193
name: --- - 2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
formula: C18H18N2O2
kcf:
ATOM        22
            1   N4x N    25.4444  -21.9336
            2   C8y C    25.8782  -20.6019
            3   C8y C    24.7476  -19.7726
            4   C8y C    23.6101  -20.6019
            5   N5x N    24.0438  -21.9336
            6   C1b C    22.2535  -20.1631
            7   C1a C    21.2195  -21.0967
            8   C8y C    24.7488  -18.3403
            9   C8y C    27.2370  -20.1647
            10  C8x C    25.9852  -17.6276
            11  C8x C    25.9862  -16.2276
            12  C8x C    24.7742  -15.5268
            13  C8x C    23.5378  -16.2395
            14  C8y C    23.5369  -17.6395
            15  C8x C    28.2686  -21.0988
            16  C8x C    29.6013  -20.6700
            17  C8y C    29.8962  -19.3014
            18  C8x C    28.8646  -18.3672
            19  C8x C    27.5319  -18.7961
            20  O1a O    22.3112  -18.3462
            21  O2a O    31.2178  -18.8763
            22  C1a C    32.2685  -19.8277
BOND        24
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   1 1
            6     4   6 1
            7     6   7 1
            8     3   8 1
            9     2   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   14  20 1
            23   17  21 1
            24   21  22 1


entry: C15194
name: --- - Androsta-4,9(11)-diene-3,17-dione - 9(11)-Dehydroandrostenedione
formula: C19H24O2
kcf:
ATOM        21
            1   C1y C    27.0475  -19.7828
            2   C2y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C2x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C5x C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O5x O    29.4047  -15.6800
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 2


entry: C15195
name: --- - LY 294002 - 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
formula: C19H17NO3
kcf:
ATOM        23
            1   C8y C    16.6600  -17.0100
            2   C8y C    16.6600  -18.4100
            3   C8y C    17.8724  -19.1100
            4   C8x C    19.0849  -18.4100
            5   C8y C    19.0849  -17.0100
            6   O2x O    17.8724  -16.3100
            7   C8y C    15.4476  -16.3100
            8   C8x C    14.2351  -17.0100
            9   C8x C    14.2351  -18.4100
            10  C8x C    15.4476  -19.1100
            11  C8y C    15.4476  -14.9102
            12  C8x C    16.6768  -14.2003
            13  C8x C    16.6766  -12.8003
            14  C8x C    15.4641  -12.1004
            15  C8x C    14.2349  -12.8103
            16  C8x C    14.2351  -14.2103
            17  N1y N    20.3160  -16.2990
            18  O5x O    17.8724  -20.5098
            19  C1x C    21.5212  -16.9947
            20  C1x C    22.7335  -16.2946
            21  O2x O    22.7335  -14.8946
            22  C1x C    21.5283  -14.1989
            23  C1x C    20.3159  -14.8990
BOND        26
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    7  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    5  17 1
            20    3  18 2
            21   17  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   17  23 1


entry: C15196
name: --- - 3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone
formula: C14H12O3
kcf:
ATOM        17
            1   C1x C    12.1800  -17.9900
            2   C1x C    12.1800  -19.3900
            3   C1x C    13.3924  -20.0900
            4   C8y C    14.6049  -19.3900
            5   C8y C    14.6049  -17.9900
            6   C5x C    13.3924  -17.2900
            7   C8x C    15.8173  -20.0900
            8   C8y C    17.0297  -19.3900
            9   C8y C    17.0297  -17.9900
            10  C8y C    15.8173  -17.2900
            11  C8x C    18.2422  -20.0900
            12  C8x C    19.4546  -19.3900
            13  C8x C    19.4546  -17.9900
            14  C8y C    18.2422  -17.2900
            15  O5x O    13.3924  -15.8902
            16  O1a O    15.8173  -15.8900
            17  O1a O    18.2422  -15.8903
BOND        19
            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    9  10 2
            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    6  15 2
            18   10  16 1
            19   14  17 1


entry: C15197
name: --- - 17beta-Pyrazol-3-ylandrost-5-en-3beta-ol
formula: C22H32N2O
kcf:
ATOM        25
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C2x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1y C    22.4203  -21.1309
            20  O1a O    21.1852  -21.8359
            21  C8y C    29.4047  -15.6800
            22  N5x N    30.5383  -14.8650
            23  N4x N    30.1136  -13.5350
            24  C8x C    28.7174  -13.5280
            25  C8x C    28.2793  -14.8537
BOND        29
            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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 2
            21   14  16 1
            22   18  19 1
            23   19  20 1 #Up
            24   14  21 1 #Up
            25   21  22 2
            26   22  23 1
            27   23  24 1
            28   24  25 2
            29   21  25 1


entry: C15198
name: --- - 3-Ethyl-5alpha-androstane-3alpha,17beta-diol
formula: C21H36O2
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1z C    22.4203  -21.1309
            20  O1a O    20.9052  -20.5759
            21  O1a O    29.4047  -15.6800
            22  C1b C    22.4203  -22.5309
            23  C1a C    21.1887  -23.2420
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 1 #Down
            24   14  21 1 #Up
            25   19  22 1 #Up
            26   22  23 1


entry: C15199
name: --- - 3-Ethynyl-5alpha-androstane-3beta,17beta-diol
formula: C21H32O2
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1z C    22.4203  -21.1309
            20  O1a O    20.4852  -21.0659
            21  O1a O    29.4047  -15.6800
            22  C3b C    21.6749  -22.2788
            23  C3a C    20.9625  -23.4211
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 1 #Up
            24   14  21 1 #Up
            25   19  22 1 #Down
            26   22  23 3


entry: C15200
name: --- - 9beta,11beta-Epoxyandrost-4-ene-3,17-dione
formula: C19H24O3
kcf:
ATOM        22
            1   C1y C    27.0475  -19.7828
            2   C1z C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1y C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C5x C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O5x O    29.4047  -15.6800
            22  O2x O    24.8796  -16.7706
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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 2
            25    6  22 1 #Up
            26    2  22 1 #Up


entry: C15201
name: --- - 5beta-Estrane-3alpha,17beta-diol - 19-Nor-5beta-androstane-3alpha,17beta-diol
formula: C18H30O2
kcf:
ATOM        20
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C1y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C1y C    24.7092  -21.3980
            15  C1x C    23.5421  -19.3660
            16  C1x C    23.5421  -22.0715
            17  C1x C    22.3057  -20.0453
            18  C1y C    22.2995  -21.3980
            19  O1a O    21.1084  -22.1040
            20  O1a O    29.3656  -15.9605
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   11  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 1 #Down
            23    8  20 1 #Up


entry: C15202
name: --- - 2'-Chloro-4-biphenylol
formula: C12H9ClO
kcf:
ATOM        14
            1   C8x C    23.4668  -18.9951
            2   C8x C    23.4668  -20.3910
            3   C8x C    24.6756  -21.0889
            4   C8y C    25.8845  -20.3910
            5   C8y C    25.8845  -18.9951
            6   C8x C    24.6756  -18.2973
            7   C8y C    27.1119  -18.2862
            8   C8x C    28.3136  -18.9799
            9   C8x C    29.5223  -18.2818
            10  C8y C    29.5223  -16.8860
            11  C8x C    28.3207  -16.1924
            12  C8x C    27.1118  -16.8904
            13  O1a O    30.7453  -16.1796
            14  X   Cl   27.0992  -21.0924
BOND        15
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15    4  14 1


entry: C15203
name: --- - 6-Hydroxy-2'-methoxyflavone - 6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one
formula: C16H12O4
kcf:
ATOM        20
            1   C8y C    24.6843  -18.6198
            2   C8y C    24.6843  -20.0133
            3   C8y C    25.8912  -20.7101
            4   C8x C    27.0983  -20.0133
            5   C8y C    27.0983  -18.6198
            6   O2x O    25.8912  -17.9229
            7   C8x C    23.4773  -17.9229
            8   C8x C    22.2701  -18.6198
            9   C8y C    22.2701  -20.0133
            10  C8x C    23.4773  -20.7101
            11  C8y C    28.3238  -17.9118
            12  C8x C    29.5235  -18.6046
            13  C8x C    30.7303  -17.9074
            14  C8x C    30.7303  -16.5136
            15  C8x C    29.5306  -15.8212
            16  C8y C    28.3237  -16.5180
            17  O5x O    25.8911  -22.1247
            18  O2a O    27.1320  -15.8298
            19  C1a C    27.1319  -14.4203
            20  O1a O    21.0472  -20.7194
BOND        22
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    5  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    3  17 2
            20   16  18 1
            21   18  19 1
            22    9  20 1


entry: C15204
name: --- - 3'-Hydroxyflavanone
formula: C15H12O3
comment: generic compound
kcf:
ATOM        18
            1   C8y C    25.2517  -19.6582
            2   C8y C    25.2517  -21.0561
            3   C5x C    26.4624  -21.7550
            4   C1x C    27.6733  -21.0561
            5   C1y C    27.6733  -19.6582
            6   O2x O    26.4624  -18.9591
            7   C8x C    24.0409  -18.9591
            8   C8x C    22.8299  -19.6582
            9   C8x C    22.8299  -21.0561
            10  C8x C    24.0409  -21.7550
            11  C8y C    28.9026  -18.9480
            12  C8x C    30.1061  -19.6429
            13  C8x C    31.3167  -18.9436
            14  C8x C    31.3167  -17.5454
            15  C8y C    30.1132  -16.8508
            16  C8x C    28.9025  -17.5498
            17  O5x O    26.4623  -23.1741
            18  O1a O    30.1129  -15.4701
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    5  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    3  17 2
            20   15  18 1


entry: C15205
name: --- - Diisobutyl phthalate - DIBP
formula: C16H22O4
kcf:
ATOM        20
            1   C8x C    23.4551  -18.6255
            2   C8x C    23.4551  -20.0260
            3   C8x C    24.6680  -20.7263
            4   C8y C    25.8809  -20.0260
            5   C8y C    25.8809  -18.6255
            6   C8x C    24.6680  -17.9253
            7   C7a C    27.1124  -17.9143
            8   C7a C    27.1124  -20.7373
            9   O7a O    28.3180  -18.6102
            10  O7a O    27.1121  -16.5249
            11  O7a O    28.3180  -20.0413
            12  O7a O    27.1121  -22.1266
            13  C1b C    28.3130  -22.8204
            14  C1b C    28.3130  -15.8312
            15  C1c C    29.4959  -16.5140
            16  C1a C    30.6862  -15.8265
            17  C1a C    29.4962  -17.9198
            18  C1c C    29.5007  -22.1346
            19  C1a C    30.6838  -22.8176
            20  C1a C    29.5010  -20.7203
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     7   9 2
            10    7  10 1
            11    8  11 2
            12    8  12 1
            13   12  13 1
            14   10  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 1
            18   13  18 1
            19   18  19 1
            20   18  20 1


entry: C15206
name: --- - 3,3-Bis(4-hydroxyphenyl)pentane - 4,4'-(1-Ethylpropane-1,1,-diyl)diphenol
formula: C17H20O2
kcf:
ATOM        19
            1   C8x C    19.6000  -15.6100
            2   C8y C    19.6000  -17.0100
            3   C8x C    20.8124  -17.7100
            4   C8x C    22.0249  -17.0100
            5   C8y C    22.0249  -15.6100
            6   C8x C    20.8124  -14.9100
            7   O1a O    18.3876  -17.7100
            8   C1d C    23.2560  -14.8990
            9   C8y C    24.4612  -15.5947
            10  C8x C    24.4616  -17.0096
            11  C8x C    25.6742  -17.7093
            12  C8y C    26.8865  -17.0089
            13  C8x C    26.8860  -15.5939
            14  C8x C    25.6734  -14.8943
            15  O1a O    28.0947  -17.7060
            16  C1b C    22.0436  -14.1990
            17  C1b C    24.4684  -14.1990
            18  C1a C    24.4684  -12.7990
            19  C1a C    22.0436  -12.7990
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     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    8  16 1
            18    8  17 1
            19   17  18 1
            20   16  19 1


entry: C15207
name: --- - 17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate - Estradiol 3-glucuronide 17beta-sulfate
formula: C24H32O11S
kcf:
ATOM        36
            1   C1y C    31.7903  -18.9991
            2   C1y C    30.6028  -19.6278
            3   C1z C    31.7903  -17.6020
            4   C1x C    34.1655  -18.9991
            5   C1y C    29.4152  -18.9293
            6   C1x C    30.6028  -21.0249
            7   C1x C    30.6028  -16.9035
            8   C1y C    32.9778  -16.9733
            9   C1a C    31.7903  -16.2748
            10  C1x C    34.1654  -17.6719
            11  C8y C    28.2277  -19.6278
            12  C1x C    29.4152  -17.6020
            13  C1x C    29.4152  -21.6536
            14  O2a O    32.9778  -15.5762
            15  C8y C    28.2277  -21.0249
            16  C8x C    27.0401  -18.9293
            17  C8x C    27.0401  -21.6536
            18  C8x C    25.8526  -19.6278
            19  C8y C    25.8526  -21.0249
            20  O2a O    24.6651  -21.6536
            21  C1y C    20.9628  -22.3522
            22  O2x O    22.2201  -21.6536
            23  C1y C    20.9628  -23.7493
            24  C6a C    19.9149  -21.4441
            25  C1y C    23.4077  -22.3522
            26  C1y C    22.2201  -24.4478
            27  O1a O    19.7752  -24.4478
            28  O6a O    20.1943  -20.1168
            29  O6a O    18.5877  -21.9330
            30  C1y C    23.4077  -23.7493
            31  O1a O    22.2201  -25.8449
            32  O1a O    24.6651  -24.4478
            33  S4a S    32.9778  -14.1791
            34  O1d O    32.9778  -12.7820
            35  O3c O    31.5807  -14.1791
            36  O3c O    34.3749  -14.1791
BOND        40
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1 #Up
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  12 1
            21    8  10 1
            22   13  15 1
            23   18  19 1
            24   21  22 1
            25   21  23 1
            26   21  24 1 #Up
            27   22  25 1
            28   23  26 1
            29   23  27 1 #Down
            30   24  28 1
            31   24  29 2
            32   25  30 1
            33   25  20 1 #Up
            34   26  31 1 #Up
            35   30  32 1 #Down
            36   26  30 1
            37   14  33 1
            38   33  34 1
            39   33  35 2
            40   33  36 2


entry: C15208
formula: C21H28O4
name:
--- 
- Bisphenol A bis(2-hydroxypropyl) ether
- Bisphenol A propoxylate
- 2,2-Bis[4-(2-hydroxy-2-methylethoxy)phenyl]propane

kcf:
ATOM        25
            1   C8x C    22.8069  -19.2968
            2   C8y C    22.8069  -20.6951
            3   C8x C    24.0178  -21.3943
            4   C8x C    25.2289  -20.6951
            5   C8y C    25.2289  -19.2968
            6   C8x C    24.0178  -18.5977
            7   C1d C    26.4585  -18.5867
            8   C8y C    27.6622  -19.2815
            9   C8x C    27.6626  -20.6947
            10  C8x C    28.8738  -21.3936
            11  C8y C    30.0846  -20.6940
            12  C8x C    30.0841  -19.2807
            13  C8x C    28.8730  -18.5820
            14  O2a O    31.3201  -21.4065
            15  O2a O    21.5938  -21.3955
            16  C1a C    25.2460  -17.8867
            17  C1a C    27.6709  -17.8867
            18  C1b C    20.3673  -20.6869
            19  C1b C    32.5037  -20.7222
            20  C1c C    19.1424  -21.3931
            21  C1c C    33.6977  -21.4108
            22  C1a C    17.9184  -20.6851
            23  C1a C    34.8850  -20.7245
            24  O1a O    19.1421  -22.8196
            25  O1a O    33.6986  -22.8197
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   11  14 1
            16    2  15 1
            17    7  16 1
            18    7  17 1
            19   15  18 1
            20   14  19 1
            21   18  20 1
            22   19  21 1
            23   20  22 1
            24   21  23 1
            25   20  24 1
            26   21  25 1


entry: C15209
name: --- - Bisphenol A ethoxylate diacrylate
formula: C25H28O6
kcf:
ATOM        31
            1   C8x C    25.1225  -19.8600
            2   C8y C    25.1225  -21.2587
            3   C8x C    26.3336  -21.9581
            4   C8x C    27.5450  -21.2587
            5   C8y C    27.5450  -19.8600
            6   C8x C    26.3336  -19.1608
            7   C1d C    28.7750  -19.1498
            8   C8y C    29.9789  -19.8448
            9   C8x C    29.9793  -21.2583
            10  C8x C    31.1908  -21.9574
            11  C8y C    32.4019  -21.2576
            12  C8x C    32.4014  -19.8440
            13  C8x C    31.1900  -19.1451
            14  O2a O    33.6377  -21.9702
            15  O2a O    23.9090  -21.9593
            16  C1a C    27.5622  -18.4496
            17  C1a C    29.9876  -18.4496
            18  C1b C    22.6823  -21.2505
            19  C1b C    34.8216  -21.2857
            20  C1b C    21.4571  -21.9569
            21  C1b C    36.0159  -21.9745
            22  O7a O    20.2283  -21.2466
            23  O7a O    37.2236  -21.2767
            24  C7a C    19.0380  -21.9330
            25  C7a C    38.4486  -21.9831
            26  C2b C    17.8463  -21.2442
            27  C2b C    39.6752  -21.2737
            28  C2a C    40.9032  -21.9811
            29  C2a C    16.6540  -21.9318
            30  O7a O    19.0373  -23.3100
            31  O7a O    38.4494  -23.3799
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 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16    2  15 1
            17    7  16 1
            18    7  17 1
            19   15  18 1
            20   14  19 1
            21   18  20 1
            22   19  21 1
            23   20  22 1
            24   21  23 1
            25   22  24 1
            26   23  25 1
            27   24  26 1
            28   25  27 1
            29   27  28 2
            30   26  29 2
            31   24  30 2
            32   25  31 2


entry: C15210
name: --- - 1,1-Bis(4-hydroxyphenyl)propane
formula: C15H16O2
kcf:
ATOM        17
            1   C8x C    22.8229  -19.6587
            2   C8y C    22.8229  -21.0580
            3   C8x C    24.0346  -21.7577
            4   C8x C    25.2465  -21.0580
            5   C8y C    25.2465  -19.6587
            6   C8x C    24.0346  -18.9591
            7   C1c C    26.4771  -18.9481
            8   C8y C    27.6816  -19.6435
            9   C8x C    27.6820  -21.0576
            10  C8x C    28.8940  -21.7570
            11  C8y C    30.1057  -21.0569
            12  C8x C    30.1052  -19.6427
            13  C8x C    28.8932  -18.9434
            14  C1b C    26.4769  -17.5777
            15  C1a C    27.6862  -16.8793
            16  O1a O    21.6031  -21.7622
            17  O1a O    31.3197  -21.7572
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     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   14  15 1
            17    2  16 1
            18   11  17 1


entry: C15211
name: --- - 4,4-Bis(4-hydroxyphenyl)heptane
formula: C19H24O2
kcf:
ATOM        21
            1   C8x C    22.8125  -18.9500
            2   C8y C    22.8125  -20.3487
            3   C8x C    24.0236  -21.0481
            4   C8x C    25.2350  -20.3487
            5   C8y C    25.2350  -18.9500
            6   C8x C    24.0236  -18.2508
            7   C1d C    26.4650  -18.2398
            8   C8y C    27.6689  -18.9348
            9   C8x C    27.6693  -20.3483
            10  C8x C    28.8808  -21.0474
            11  C8y C    30.0919  -20.3476
            12  C8x C    30.0914  -18.9340
            13  C8x C    28.8800  -18.2351
            14  O1a O    31.3277  -21.0602
            15  O1a O    21.5990  -21.0493
            16  C1b C    25.2522  -17.5396
            17  C1b C    27.6776  -17.5396
            18  C1b C    25.2522  -16.1396
            19  C1b C    27.6776  -16.1396
            20  C1a C    24.0662  -15.4553
            21  C1a C    28.8563  -15.4595
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16    2  15 1
            17    7  16 1
            18    7  17 1
            19   16  18 1
            20   17  19 1
            21   18  20 1
            22   19  21 1


entry: C15212
name: --- - 2,2',5-Trichloro-4-hydroxybiphenyl
formula: C12H7Cl3O
kcf:
ATOM        16
            1   C8x C    22.8075  -20.3649
            2   C8x C    22.8075  -21.7637
            3   C8x C    24.0188  -22.4629
            4   C8y C    25.2302  -21.7637
            5   C8y C    25.2302  -20.3649
            6   C8x C    24.0188  -19.6656
            7   C8y C    26.4601  -19.6546
            8   C8x C    27.6642  -20.3496
            9   C8y C    28.8754  -19.6502
            10  C8y C    28.8754  -18.2515
            11  C8x C    27.6713  -17.5564
            12  C8y C    26.4600  -18.2559
            13  X   Cl   30.1058  -20.3603
            14  O1a O    30.1008  -17.5436
            15  X   Cl   25.2536  -17.5596
            16  X   Cl   26.4224  -22.4525
BOND        17
            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 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    9  13 1
            15   10  14 1
            16   12  15 1
            17    4  16 1


entry: C15213
name: --- - 2,2',3',4,4',5,5'-Heptachloro-3-biphenylol
formula: C12H3Cl7O
kcf:
ATOM        20
            1   C8y C    23.4526  -20.3663
            2   C8y C    23.4526  -21.7659
            3   C8y C    24.6646  -22.4656
            4   C8y C    25.8769  -21.7659
            5   C8y C    25.8769  -20.3663
            6   C8x C    24.6646  -19.6664
            7   C8y C    27.1076  -19.6554
            8   C8x C    28.3125  -20.3509
            9   C8y C    29.5245  -19.6510
            10  C8y C    29.5245  -18.2514
            11  C8y C    28.3196  -17.5558
            12  C8y C    27.1075  -18.2557
            13  X   Cl   30.7559  -20.3616
            14  X   Cl   27.1076  -22.4767
            15  X   Cl   22.2405  -22.4656
            16  X   Cl   25.8940  -17.5551
            17  X   Cl   22.2730  -19.6857
            18  O1a O    28.3199  -16.1703
            19  X   Cl   30.7403  -17.5493
            20  X   Cl   24.6646  -23.8698
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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    9  13 1
            15    4  14 1
            16    2  15 1
            17   12  16 1
            18    1  17 1
            19   11  18 1
            20   10  19 1
            21    3  20 1


entry: C15214
formula: C6H6Cl6
name:
--- 
- alpha-Hexachlorocyclohexane
- alpha-HCH
- 1alpha,2alpha,3beta,4alpha,5beta,6beta-Hexachlorocyclohexane
- alpha-Lindane

kcf:
ATOM        12
            1   C1y C    25.2515  -18.6260
            2   C1y C    25.2515  -20.0255
            3   C1y C    26.4673  -20.7289
            4   C1y C    27.6763  -20.0255
            5   C1y C    27.6763  -18.6260
            6   C1y C    26.4673  -17.9297
            7   X   Cl   24.0386  -17.9290
            8   X   Cl   26.4692  -22.1286
            9   X   Cl   28.8897  -17.9306
            10  X   Cl   26.4692  -16.5300
            11  X   Cl   24.0386  -20.7296
            12  X   Cl   28.8897  -20.7281
BOND        12
            1     6   1 1
            2     1   7 1 #Up
            3     1   2 1
            4     3   8 1 #Down
            5     2   3 1
            6     5   9 1 #Down
            7     3   4 1
            8     6  10 1 #Down
            9     4   5 1
            10    2  11 1 #Up
            11    5   6 1
            12    4  12 1 #Up


entry: C15215
name: --- - 3-Hydroxyestra-1,3,5(10)-trien-16-one
formula: C18H22O2
kcf:
ATOM        20
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1x C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C5x C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8x C    22.3057  -20.0453
            18  C8y C    22.2995  -21.3980
            19  O5x O    31.8112  -17.3755
            20  O1a O    21.1084  -22.1039
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   10  19 2
            23   18  20 1


entry: C15216
formula: C19H26O3
name:
--- 
- 3-Methoxyestriol
- Estriol 3-methyl ether
- 3-Methoxyestra-1,3,5(10)-triene-16alpha,17beta-diol

kcf:
ATOM        22
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1y C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8x C    22.3057  -20.0453
            18  C8y C    22.2995  -21.3980
            19  O1a O    29.3656  -15.9605
            20  O1a O    31.8113  -17.3756
            21  O2a O    21.1084  -22.1040
            22  C1a C    19.9189  -21.4352
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22    8  19 1 #Up
            23   10  20 1 #Down
            24   18  21 1
            25   21  22 1


entry: C15217
name: --- - 4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol - 3-(p-Phenyl)-4-(p-tolyl)hexane
formula: C19H24O
kcf:
ATOM        20
            1   C8x C    28.9335  -22.8305
            2   C8y C    30.1360  -22.1078
            3   C8x C    30.1797  -20.7027
            4   C8x C    28.8847  -20.0262
            5   C8y C    27.6823  -20.7489
            6   C8x C    27.6349  -22.1481
            7   C1c C    26.4659  -20.0730
            8   C1c C    26.4896  -18.6731
            9   C8y C    25.2702  -17.9924
            10  C8x C    25.2501  -16.5960
            11  C8x C    24.0308  -15.9153
            12  C8y C    22.8316  -16.6308
            13  C8x C    22.8517  -18.0271
            14  C8x C    24.0710  -18.7080
            15  C1b C    27.6936  -17.9530
            16  C1b C    25.2624  -20.7942
            17  C1a C    21.6066  -15.9469
            18  O1a O    31.3635  -22.7872
            19  C1a C    28.9191  -18.6357
            20  C1a C    24.0362  -20.1128
BOND        21
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14   9 1
            10    5   7 1
            11    8  15 1
            12    1   2 2
            13    7  16 1
            14    7   8 1
            15   12  17 1
            16    2   3 1
            17    2  18 1
            18    8   9 1
            19   15  19 1
            20    3   4 2
            21   16  20 1


entry: C15218
name: --- - 2,2',4,4'-Tetrahydroxybenzil - Bis(2,4-dihydroxyphenyl)ethanedione
formula: C14H10O6
kcf:
ATOM        20
            1   C8x C    18.2000  -15.0500
            2   C8y C    18.2000  -16.4500
            3   C8x C    19.4124  -17.1500
            4   C8x C    20.6249  -16.4500
            5   C8y C    20.6249  -15.0500
            6   C8y C    19.4124  -14.3500
            7   C5a C    21.8560  -14.3390
            8   C5a C    23.0612  -15.0347
            9   C8y C    24.2435  -14.3519
            10  C8y C    25.4375  -15.0412
            11  C8x C    26.6499  -14.3412
            12  C8y C    26.6499  -12.9412
            13  C8x C    25.4560  -12.2519
            14  C8x C    24.2435  -12.9519
            15  O5a O    21.8557  -12.9501
            16  O5a O    23.0616  -16.4496
            17  O1a O    25.4377  -16.4497
            18  O1a O    27.8734  -12.2346
            19  O1a O    19.4124  -12.9502
            20  O1a O    16.9876  -17.1500
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     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    7  15 2
            17    8  16 2
            18   10  17 1
            19   12  18 1
            20    6  19 1
            21    2  20 1


entry: C15219
name: --- - 2,6-Dimethylhexestrol - 4-[1-Ethyl-2-(4-hydroxyphenyl)butyl]-3,5-dimethylphenol
formula: C20H26O2
kcf:
ATOM        22
            1   C8x C    28.9335  -22.8305
            2   C8y C    30.1360  -22.1078
            3   C8x C    30.1797  -20.7027
            4   C8x C    28.8847  -20.0262
            5   C8y C    27.6823  -20.7489
            6   C8x C    27.6349  -22.2181
            7   C1c C    26.4659  -20.0730
            8   C1c C    26.4896  -18.6731
            9   C8y C    25.2702  -17.9924
            10  C8y C    25.2501  -16.5960
            11  C8x C    24.0308  -15.9153
            12  C8y C    22.8316  -16.6308
            13  C8x C    22.8517  -18.0271
            14  C8y C    24.0710  -18.7780
            15  C1b C    27.6936  -17.9530
            16  C1b C    25.2624  -20.7942
            17  O1a O    21.6066  -15.9469
            18  O1a O    31.3635  -22.7872
            19  C1a C    28.9191  -18.6357
            20  C1a C    26.4696  -15.8682
            21  C1a C    25.2852  -22.1899
            22  C1a C    24.0910  -20.0900
BOND        23
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14   9 1
            10    5   7 1
            11    8  15 1
            12    1   2 2
            13    7  16 1
            14    7   8 1
            15   12  17 1
            16    2   3 1
            17    2  18 1
            18    8   9 1
            19   15  19 1
            20    3   4 2
            21   10  20 1
            22   16  21 1
            23   14  22 1


entry: C15220
name: --- - 2-Chloro-4-methylphenol - 2-Chloro-p-cresol
formula: C7H7ClO
kcf:
ATOM        9
            1   C8x C    19.3900  -17.3600
            2   C8y C    19.3900  -18.7600
            3   C8x C    20.6024  -19.4600
            4   C8y C    21.8149  -18.7600
            5   C8y C    21.8149  -17.3600
            6   C8x C    20.6024  -16.6600
            7   C1a C    18.1776  -19.4600
            8   O1a O    23.0460  -16.6490
            9   X   Cl   23.0460  -19.4710
BOND        9
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     4   9 1


entry: C15221
name: --- - Diisononyl phthalate
formula: C26H42O4
kcf:
ATOM        30
            1   C8x C    12.6700  -18.3400
            2   C8x C    12.6700  -19.7400
            3   C8x C    13.8824  -20.4400
            4   C8y C    15.0949  -19.7400
            5   C8y C    15.0949  -18.3400
            6   C8x C    13.8824  -17.6400
            7   C7a C    16.3260  -17.6290
            8   C7a C    16.3260  -20.4510
            9   O7a O    17.5312  -18.3247
            10  O7a O    16.3257  -16.2401
            11  O7a O    17.5312  -19.7553
            12  O7a O    16.3257  -21.8399
            13  C1b C    18.7124  -17.6400
            14  C1b C    19.9249  -18.3400
            15  C1b C    21.1373  -17.6400
            16  C1b C    22.3497  -18.3400
            17  C1b C    23.5622  -17.6400
            18  C1b C    24.7746  -18.3400
            19  C1c C    25.9870  -17.6400
            20  C1a C    27.1995  -18.3400
            21  C1b C    18.7124  -20.4400
            22  C1b C    19.9249  -19.7400
            23  C1b C    21.1373  -20.4400
            24  C1b C    22.3497  -19.7400
            25  C1b C    23.5622  -20.4400
            26  C1b C    24.7746  -19.7400
            27  C1c C    25.9870  -20.4400
            28  C1a C    27.1995  -19.7400
            29  C1a C    25.9870  -21.8399
            30  C1a C    25.9870  -16.2401
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     7   9 1
            10    7  10 2
            11    8  11 1
            12    8  12 2
            13    9  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   11  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   27  29 1
            30   19  30 1


entry: C15222
name: --- - 3,6,4'-Trihydroxyflavone - 3,6-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
formula: C15H10O5
kcf:
ATOM        20
            1   C8y C    24.6488  -19.6793
            2   C8y C    24.6488  -21.0787
            3   C8y C    25.8608  -21.7784
            4   C8y C    27.0730  -21.0787
            5   C8y C    27.0730  -19.6793
            6   O2x O    25.8608  -18.9795
            7   C8x C    23.4367  -18.9795
            8   C8x C    22.2244  -19.6793
            9   C8y C    22.2244  -21.0787
            10  C8x C    23.4367  -21.7784
            11  C8y C    28.3037  -18.9684
            12  C8x C    29.5084  -19.6640
            13  C8x C    30.7203  -18.9640
            14  C8y C    30.7203  -17.5642
            15  C8x C    29.5156  -16.8689
            16  C8x C    28.3036  -17.5687
            17  O5x O    25.8607  -23.1990
            18  O1a O    31.9374  -16.8614
            19  O1a O    28.2942  -21.7840
            20  O1a O    20.9904  -21.7918
BOND        22
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    5  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    3  17 2
            20   14  18 1
            21    4  19 1
            22    9  20 1


entry: C15223
name: --- - UDP-N-acetylglucosamine enolpyruvate
formula: C20H29N3O19P2
kcf:
ATOM        44
            1   C1y C    17.5924  -15.7442
            2   C1y C    17.5924  -17.1205
            3   O2x O    16.3976  -15.0686
            4   O2b O    18.7686  -15.0624
            5   C1y C    16.3976  -17.8150
            6   N1b N    19.3004  -18.0340
            7   C1y C    15.2152  -15.7442
            8   P1b P    20.1324  -15.0686
            9   C1y C    15.2152  -17.1205
            10  O2a O    16.3976  -19.1726
            11  C5a C    19.2692  -19.4353
            12  C1b C    14.0391  -15.0686
            13  O2c O    21.4900  -15.0686
            14  O1c O    20.1324  -13.7048
            15  O3b O    20.1324  -16.4262
            16  O1a O    14.0391  -17.7961
            17  C2c C    15.2152  -19.8544
            18  C1a C    18.1242  -20.0734
            19  O5a O    20.4827  -20.0672
            20  O1a O    14.0391  -13.7048
            21  P1b P    22.8538  -15.0686
            22  C6a C    15.2152  -21.2120
            23  C2a C    14.0391  -19.1726
            24  O2b O    24.2177  -15.0686
            25  O1c O    22.8538  -13.7048
            26  O3b O    22.8476  -16.4262
            27  O6a O    14.0391  -21.8876
            28  O6a O    16.3976  -21.8876
            29  C1b C    24.5055  -16.4012
            30  C1y C    25.8006  -16.8141
            31  O2x O    26.8891  -16.0258
            32  C1y C    26.2384  -18.1091
            33  C1y C    28.0027  -16.8391
            34  C1y C    27.6023  -18.1091
            35  O1a O    25.4438  -19.2163
            36  N4y N    29.0662  -14.6306
            37  O1a O    28.4029  -19.2163
            38  C8y C    27.8962  -13.9238
            39  C8x C    30.2673  -13.9238
            40  N4x N    27.8962  -12.5473
            41  O5x O    26.7139  -14.5994
            42  C8x C    30.2673  -12.5473
            43  C8y C    29.0724  -11.8717
            44  O5x O    29.0724  -10.5079
BOND        46
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1
            11    7  12 1 #Up
            12    8  13 1
            13    8  14 1
            14    8  15 2
            15    9  16 1 #Down
            16   10  17 1
            17   11  18 1
            18   11  19 2
            19   12  20 1
            20   13  21 1
            21   17  22 1
            22   17  23 2
            23   21  24 1
            24   21  25 1
            25   21  26 2
            26   22  27 1
            27   22  28 2
            28   24  29 1
            29   30  29 1 #Up
            30   30  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   32  35 1 #Down
            35   33  36 1 #Up
            36   34  37 1 #Down
            37   36  38 1
            38   36  39 1
            39   38  40 1
            40   38  41 2
            41   39  42 2
            42   40  43 1
            43   43  44 2
            44    7   9 1
            45   33  34 1
            46   42  43 1


entry: C15224
name: --- - Tributyltin chloride - Tri-n-butylchlorotin - Tributylchlorostannane
formula: C12H27ClSn
kcf:
ATOM        14
            1   Z   Sn   16.0300  -17.8500
            2   C1b C    17.2424  -17.1500
            3   C1b C    18.4549  -17.8500
            4   C1b C    19.6673  -17.1500
            5   C1a C    20.8797  -17.8500
            6   C1b C    16.7300  -19.0624
            7   C1b C    16.0300  -20.2749
            8   C1b C    16.7300  -21.4873
            9   C1a C    16.0300  -22.6997
            10  C1b C    14.8176  -17.1500
            11  C1b C    13.6051  -17.8500
            12  C1b C    12.3927  -17.1500
            13  C1a C    11.1803  -17.8500
            14  X   Cl   16.0300  -16.4500
BOND        13
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     1  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    1  14 1


entry: C15226
name: --- - Thallium chloride - Thallous chloride
formula: TlCl
kcf:
ATOM        2
            1   X   Cl   25.7600  -19.3200
            2   Z   Tl   27.1600  -19.3200
BOND        1
            1     1   2 1


entry: C15227
name: --- - Potassium dichromate
formula: Cr2O7. 2K
kcf:
ATOM        11
            1   Z   Cr   17.6400  -16.7300
            2   O0  O    17.6400  -15.3300
            3   O0  O    17.6400  -18.1300
            4   O2a O    19.1800  -16.7300
            5   O0  O    16.2400  -16.7300 #-
            6   Z   Cr   20.4400  -16.7300
            7   O0  O    21.8400  -16.7300 #-
            8   O0  O    20.4400  -18.1300
            9   O0  O    20.4400  -15.3300
            10  Z   K    24.6400  -16.7300 #+
            11  Z   K    13.5800  -16.8000 #+
BOND        8
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     4   6 1
            6     6   7 1
            7     6   8 2
            8     6   9 2


entry: C15228
formula: C20H26O3
name:
--- 
- beta-Estradiol 17-acetate
- Estra-1,3,5(10)-triene-3,17beta-diol 17-acetate
- 17beta-Acetylestradiol

kcf:
ATOM        23
            1   C1y C    21.8632  -20.8533
            2   C1y C    20.6905  -21.5268
            3   C1z C    21.8691  -19.5065
            4   C1x C    24.1909  -20.8826
            5   C1y C    19.5236  -20.8360
            6   C1x C    20.6905  -22.8796
            7   C1x C    20.7137  -18.8212
            8   C1y C    23.0478  -18.8445
            9   C1a C    21.8632  -18.1536
            10  C1x C    24.2090  -19.5353
            11  C8y C    18.3450  -21.5153
            12  C1x C    19.5354  -19.4888
            13  C1x C    19.5118  -23.5474
            14  C8y C    18.3392  -22.8680
            15  C8x C    17.1721  -20.8360
            16  C8x C    17.1721  -23.5415
            17  C8x C    15.9357  -21.5153
            18  C8y C    15.9295  -22.8680
            19  O1a O    14.7384  -23.5740
            20  O7a O    22.9956  -17.4305
            21  C7a C    24.2060  -16.6705
            22  C1a C    25.4500  -17.3286
            23  O7a O    24.2238  -15.2616
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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 1
            23    8  20 1 #Up
            24   20  21 1
            25   21  22 1
            26   21  23 2


entry: C15229
name: --- - Ziram
formula: (C3H6NS2)2. Zn
kcf:
ATOM        13
            1   C2c C    14.3500  -15.1200
            2   S0  S    15.5624  -15.8200 #-
            3   N1c N    13.1376  -15.8200
            4   S0  S    14.3500  -13.7200
            5   C1a C    11.9421  -15.1296
            6   C1a C    13.1375  -17.2198
            7   C2c C    22.6100  -15.2600
            8   N1c N    23.8224  -15.9600
            9   S0  S    21.3976  -15.9600 #-
            10  S0  S    22.6100  -13.8600
            11  C1a C    25.0179  -15.2696
            12  C1a C    23.8225  -17.3598
            13  Z   Zn   18.0193  -14.7024 #2+
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     3   5 1
            5     3   6 1
            6     7   8 1
            7     7   9 1
            8     7  10 2
            9     8  11 1
            10    8  12 1


entry: C15230
name: --- - Iprobenfos - IBP - Kitazin P - S-Benzyl O,O-diisopropyl phosphorothioate
formula: C13H21O3PS
kcf:
ATOM        18
            1   P1b P    22.5400  -12.8800
            2   O2b O    22.5400  -11.4800
            3   O3b O    21.1400  -12.8800
            4   O2b O    22.5400  -14.2800
            5   S2a S    23.9400  -12.8800
            6   C1c C    23.7524  -10.7800
            7   C1a C    24.9479  -11.4704
            8   C1a C    23.7525   -9.3802
            9   C1c C    21.3276  -14.9800
            10  C1a C    20.1321  -14.2896
            11  C1a C    21.3275  -16.3798
            12  C1b C    24.6400  -14.0924
            13  C8y C    26.0398  -14.0924
            14  C8x C    26.7303  -15.2880
            15  C8x C    28.1303  -15.2878
            16  C8x C    28.8301  -14.0753
            17  C8x C    28.1397  -12.8798
            18  C8x C    26.7397  -12.8799
BOND        18
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     6   8 1
            8     4   9 1
            9     9  10 1
            10    9  11 1
            11    5  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   13  18 1


entry: C15231
name: --- - Maneb
formula: (C4H6MnN2S4)n
kcf:
ATOM        13
            1   Z   Mn   21.7600  -19.1547
            2   S2a S    23.4294  -19.8563
            3   C2c C    24.5234  -19.2247
            4   N1b N    25.6174  -19.8563
            5   C1b C    26.7115  -19.2247
            6   C1b C    27.8054  -19.8563
            7   N1b N    28.8994  -19.2247
            8   C2c C    29.9935  -19.8563
            9   S1a S    31.0875  -19.2247
            10  Z   *    32.8132  -19.8563
            11  S0  S    24.5234  -17.9614
            12  S0  S    29.9935  -21.1193
            13  Z   *    19.8536  -20.0202
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    3  11 2
            11    8  12 2
            12    1  13 1


entry: C15232
name: --- - Zineb
formula: (C4H6N2S4Zn)n
kcf:
ATOM        13
            1   Z   Zn   11.0824  -13.1600
            2   S2a S    12.8549  -13.8600
            3   C2c C    14.0673  -13.1600
            4   N1b N    15.2797  -13.8600
            5   C1b C    16.4922  -13.1600
            6   C1b C    17.7046  -13.8600
            7   N1b N    18.9170  -13.1600
            8   C2c C    20.1295  -13.8600
            9   S1a S    21.3419  -13.1600
            10  Z   *    23.2544  -13.8600
            11  S0  S    14.0673  -11.7600
            12  S0  S    20.1295  -15.2597
            13  Z   *     9.2024  -14.0416
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    3  11 2
            11    8  12 2
            12    1  13 1


entry: C15233
name: --- - Cadmium chloride
formula: CdCl2
kcf:
ATOM        3
            1   Z   Cd   16.6600  -15.7500
            2   X   Cl   18.5500  -15.7500
            3   X   Cl   15.1200  -15.7500
BOND        2
            1     1   2 1
            2     1   3 1


entry: C15234
name: --- - Lead nitrate
formula: 2NO3. Pb
kcf:
ATOM        9
            1   N2b N    23.1239  -22.0632 #+
            2   O0  O    24.3195  -22.7665 #-
            3   O0  O    21.6484  -22.7665 #-
            4   O3a O    23.1239  -20.6567
            5   Z   Pb   18.1770  -21.5163 #2+
            6   N2b N    23.1239  -22.0632 #+
            7   O0  O    24.3195  -22.7665 #-
            8   O0  O    21.6484  -22.7665 #-
            9   O3a O    23.1239  -20.6567
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     6   7 1
            5     6   8 1
            6     6   9 2


entry: C15235
name: --- - Antimony trichloride - Antimony(III) chloride - Trichlorostibine
formula: SbCl3
kcf:
ATOM        4
            1   Z   Sb   24.1500  -19.2500
            2   X   Cl   25.9224  -20.0900
            3   X   Cl   22.5876  -20.0200
            4   X   Cl   24.1500  -17.8500
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 1


entry: C15236
name: --- - 8-Hydroxy-2,3,4-trichlorodibenzofuran
formula: C12H5Cl3O2
kcf:
ATOM        17
            1   C8y C    27.5992  -18.6597
            2   C8y C    25.2915  -18.7239
            3   C8y C    27.5585  -20.0033
            4   C8x C    28.7326  -17.9703
            5   C8y C    25.2391  -20.0501
            6   C8x C    24.1232  -18.0755
            7   O2x O    26.4891  -20.6927
            8   C8y C    28.7968  -20.6402
            9   C8y C    29.9126  -18.6129
            10  C8x C    24.1699  -20.7395
            11  C8y C    22.9781  -18.7649
            12  C8y C    29.8719  -19.9508
            13  C8x C    22.9314  -20.0969
            14  X   Cl   31.1068  -17.9277
            15  X   Cl   31.1032  -20.6486
            16  X   Cl   28.7940  -22.0468
            17  O1a O    21.7560  -18.0456
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    8  12 1
            12   10  13 2
            13    5   7 1
            14    9  12 2
            15   11  13 1
            16    9  14 1
            17   12  15 1
            18    8  16 1
            19   11  17 1


entry: C15237
name: --- - 8-Hydroxy-2-chlorodibenzofuran - 8-Chloro-2-dibenzofuranol
formula: C12H7ClO2
kcf:
ATOM        15
            1   C8y C    22.7500  -18.2000
            2   C8y C    22.7500  -19.6000
            3   O2x O    23.9624  -20.3000
            4   C8y C    25.1749  -19.6000
            5   C8y C    25.1749  -18.2000
            6   C8x C    26.3873  -20.3000
            7   C8x C    27.5997  -19.6000
            8   C8y C    27.5997  -18.2000
            9   C8x C    26.3873  -17.5000
            10  C8x C    21.5376  -17.5000
            11  C8y C    20.3251  -18.2000
            12  C8x C    20.3251  -19.6000
            13  C8x C    21.5376  -20.3000
            14  O1a O    19.0940  -17.4890
            15  X   Cl   28.7973  -17.5085
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16   11  14 1
            17    8  15 1


entry: C15238
name: --- - 8-Hydroxy-3,4,6-trichlorodibenzofuran - 4,6,7-Trichloro-2-dibenzofuranol
formula: C12H5Cl3O2
kcf:
ATOM        17
            1   C8y C    25.3768  -18.7054
            2   C8y C    25.3768  -20.0474
            3   O2x O    26.5389  -20.7184
            4   C8y C    27.7012  -20.0474
            5   C8y C    27.7012  -18.7054
            6   C8y C    28.8633  -20.7184
            7   C8y C    30.0254  -20.0474
            8   C8x C    30.0254  -18.7054
            9   C8x C    28.8633  -18.0345
            10  C8x C    24.2147  -18.0345
            11  C8y C    23.0524  -18.7054
            12  C8x C    23.0524  -20.0474
            13  C8y C    24.2147  -20.7184
            14  O1a O    21.8724  -18.0239
            15  X   Cl   31.2293  -20.7422
            16  X   Cl   28.8633  -22.1198
            17  X   Cl   24.2147  -22.1200
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16   11  14 1
            17    7  15 1
            18    6  16 1
            19   13  17 1


entry: C15239
name: --- - 8-Hydroxy-3,4-dichlorodibenzofuran - 6,7-Dichloro-2-dibenzofuranol
formula: C12H6Cl2O2
kcf:
ATOM        16
            1   C8y C    25.3126  -17.9581
            2   C8y C    25.3126  -19.2967
            3   O2x O    26.4718  -19.9660
            4   C8y C    27.6311  -19.2967
            5   C8y C    27.6311  -17.9581
            6   C8y C    28.7903  -19.9660
            7   C8y C    29.9494  -19.2967
            8   C8x C    29.9494  -17.9581
            9   C8x C    28.7903  -17.2889
            10  C8x C    24.1534  -17.2889
            11  C8y C    22.9941  -17.9581
            12  C8x C    22.9941  -19.2967
            13  C8x C    24.1534  -19.9660
            14  O1a O    21.8171  -17.2783
            15  X   Cl   31.1503  -19.9897
            16  X   Cl   28.7903  -21.3638
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16   11  14 1
            17    7  15 1
            18    6  16 1


entry: C15240
name: --- - 6-Hydroxy-3,4-dichlorodibenzofuran - 6,7-Dichloro-4-dibenzofuranol
formula: C12H6Cl2O2
kcf:
ATOM        16
            1   C8y C    25.3108  -17.9568
            2   C8y C    25.3108  -19.2953
            3   O2x O    26.4699  -19.9646
            4   C8y C    27.6292  -19.2953
            5   C8y C    27.6292  -17.9568
            6   C8y C    28.7883  -19.9646
            7   C8y C    29.9473  -19.2953
            8   C8x C    29.9473  -17.9568
            9   C8x C    28.7883  -17.2877
            10  C8x C    24.1517  -17.2877
            11  C8x C    22.9925  -17.9568
            12  C8x C    22.9925  -19.2953
            13  C8y C    24.1517  -19.9646
            14  X   Cl   31.1481  -19.9883
            15  X   Cl   28.7883  -21.3623
            16  O1a O    24.1517  -21.3500
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16    7  14 1
            17    6  15 1
            18   13  16 1


entry: C15241
name: --- - 8-Hydroxy-3-chlorodibenzofuran - 7-Chloro-2-dibenzofuranol
formula: C12H7ClO2
kcf:
ATOM        15
            1   C8y C    25.3108  -17.9568
            2   C8y C    25.3108  -19.2953
            3   O2x O    26.4699  -19.9646
            4   C8y C    27.6292  -19.2953
            5   C8y C    27.6292  -17.9568
            6   C8x C    28.7883  -19.9646
            7   C8y C    29.9473  -19.2953
            8   C8x C    29.9473  -17.9568
            9   C8x C    28.7883  -17.2877
            10  C8x C    24.1517  -17.2877
            11  C8y C    22.9925  -17.9568
            12  C8x C    22.9925  -19.2953
            13  C8x C    24.1517  -19.9646
            14  O1a O    21.8156  -17.2771
            15  X   Cl   31.1481  -19.9883
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16   11  14 1
            17    7  15 1


entry: C15242
name: --- - 8-Chloro-2,7-dibenzofurandiol - 3,8-Dihydroxy-2-chlorodibenzofuran
formula: C12H7ClO3
kcf:
ATOM        16
            1   C8y C    25.3084  -18.6551
            2   C8y C    25.3084  -19.9935
            3   O2x O    26.4674  -20.6627
            4   C8y C    27.6266  -19.9935
            5   C8y C    27.6266  -18.6551
            6   C8x C    28.7856  -20.6627
            7   C8y C    29.9444  -19.9935
            8   C8y C    29.9444  -18.6551
            9   C8x C    28.7856  -17.9860
            10  C8x C    24.1494  -17.9860
            11  C8y C    22.9903  -18.6551
            12  C8x C    22.9903  -19.9935
            13  C8x C    24.1494  -20.6627
            14  O1a O    21.8135  -17.9755
            15  O1a O    31.1451  -20.6864
            16  X   Cl   31.1530  -17.9574
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16   11  14 1
            17    7  15 1
            18    8  16 1


entry: C15243
name: --- - 3-Hydroxy-2,8-dichlorodibenzofuran - 2,8-Dichloro-3-dibenzofuranol
formula: C12H6Cl2O2
kcf:
ATOM        16
            1   C8y C    25.3768  -18.7054
            2   C8y C    25.3768  -20.0474
            3   O2x O    26.5389  -20.7184
            4   C8y C    27.7012  -20.0474
            5   C8y C    27.7012  -18.7054
            6   C8x C    28.8633  -20.7184
            7   C8y C    30.0254  -20.0474
            8   C8y C    30.0254  -18.7054
            9   C8x C    28.8633  -18.0345
            10  C8x C    24.2147  -18.0345
            11  C8y C    23.0524  -18.7054
            12  C8x C    23.0524  -20.0474
            13  C8x C    24.2147  -20.7184
            14  X   Cl   21.8724  -18.0239
            15  X   Cl   31.1734  -18.0426
            16  O1a O    31.2293  -20.7422
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16   11  14 1
            17    8  15 1
            18    7  16 1


entry: C15244
name: --- - 7-Hydroxy-1,2,3,6,8-pentachlorodibenzofuran - 2,4,7,8,9-Pentachloro-3-dibenzofuranol
formula: C12H3Cl5O2
kcf:
ATOM        19
            1   C8y C    25.3400  -18.6200
            2   C8y C    25.3400  -20.0200
            3   O2x O    26.4600  -20.6500
            4   C8y C    27.6500  -20.0200
            5   C8y C    27.6500  -18.6200
            6   C8x C    28.7700  -20.6500
            7   C8y C    29.9600  -20.0200
            8   C8y C    29.9600  -18.6200
            9   C8y C    28.7700  -17.9900
            10  C8x C    24.1500  -17.9900
            11  C8y C    22.9600  -18.6200
            12  C8y C    22.9600  -20.0200
            13  C8y C    24.1500  -20.6500
            14  X   Cl   21.8400  -17.9900
            15  X   Cl   31.1500  -17.9900
            16  X   Cl   31.1500  -20.6500
            17  O1a O    21.7700  -20.7200
            18  X   Cl   28.7700  -16.5900
            19  X   Cl   24.1500  -22.0500
BOND        21
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16   11  14 1
            17    8  15 1
            18    7  16 1
            19   12  17 1
            20    9  18 1
            21   13  19 1


entry: C15245
name: --- - 7-Hydroxy-3,4-dichlorodibenzofuran - 6,7-Dichloro-3-dibenzofuranol
formula: C12H6Cl2O2
kcf:
ATOM        16
            1   C8y C    25.3140  -18.6523
            2   C8y C    25.3140  -20.0548
            3   O2x O    26.4360  -20.6859
            4   C8y C    27.6280  -20.0548
            5   C8y C    27.6280  -18.6523
            6   C8y C    28.7500  -20.6859
            7   C8y C    29.9420  -20.0548
            8   C8x C    29.9420  -18.6523
            9   C8x C    28.7500  -18.0212
            10  C8x C    24.1219  -18.0212
            11  C8x C    22.9299  -18.6523
            12  C8y C    22.9299  -20.0548
            13  C8x C    24.1219  -20.6859
            14  X   Cl   31.1341  -20.6859
            15  O1a O    21.7378  -20.7560
            16  X   Cl   28.7312  -22.1195
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16    7  14 1
            17   12  15 1
            18    6  16 1


entry: C15246
name: --- - 9-Hydroxy-3,4-dichlorodibenzofuran - 6,7-Dichloro-1-dibenzofuranol
formula: C12H6Cl2O2
kcf:
ATOM        16
            1   C8y C    25.3168  -18.6428
            2   C8y C    25.3168  -19.9853
            3   O2x O    26.4794  -20.6566
            4   C8y C    27.6421  -19.9853
            5   C8y C    27.6421  -18.6428
            6   C8y C    28.8047  -20.6566
            7   C8y C    29.9672  -19.9853
            8   C8x C    29.9672  -18.6428
            9   C8x C    28.8047  -17.9716
            10  C8y C    24.1542  -17.9716
            11  C8x C    22.9915  -18.6428
            12  C8x C    22.9915  -19.9853
            13  C8x C    24.1542  -20.6566
            14  O1a O    24.1542  -16.5900
            15  X   Cl   31.1891  -20.6904
            16  X   Cl   28.8046  -22.0496
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16   10  14 1
            17    7  15 1
            18    6  16 1


entry: C15247
name: --- - 9-Hydroxy-2,6-dichlorodibenzofuran - 4,8-Dichloro-1-dibenzofuranol
formula: C12H6Cl2O2
kcf:
ATOM        16
            1   C8y C    25.3768  -18.7054
            2   C8y C    25.3768  -20.0474
            3   O2x O    26.5389  -20.7184
            4   C8y C    27.7012  -20.0474
            5   C8y C    27.7012  -18.7054
            6   C8x C    28.8633  -20.7184
            7   C8x C    30.0254  -20.0474
            8   C8y C    30.0254  -18.7054
            9   C8x C    28.8633  -18.0345
            10  C8y C    24.2147  -18.0345
            11  C8x C    23.0524  -18.7054
            12  C8x C    23.0524  -20.0474
            13  C8y C    24.2147  -20.7184
            14  X   Cl   31.1734  -18.0426
            15  O1a O    24.2148  -16.6600
            16  X   Cl   24.2147  -22.1200
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    2  13 1
            16    8  14 1
            17   10  15 1
            18   13  16 1


entry: C15248
name: --- - 4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl - 2',3,5,5'-Tetrachloro-4-biphenylol
formula: C12H6Cl4O
kcf:
ATOM        17
            1   C8y C    22.8136  -19.6704
            2   C8x C    22.8136  -21.0695
            3   C8x C    24.0253  -21.7689
            4   C8y C    25.2370  -21.0695
            5   C8y C    25.2370  -19.6704
            6   C8x C    24.0253  -18.9709
            7   C8y C    26.4672  -18.9599
            8   C8x C    27.6716  -19.6551
            9   C8y C    28.8832  -18.9555
            10  C8y C    28.8832  -17.5564
            11  C8y C    27.6787  -16.8611
            12  C8x C    26.4671  -17.5608
            13  O1a O    30.1089  -16.8483
            14  X   Cl   26.4295  -21.7585
            15  X   Cl   27.6784  -15.4703
            16  X   Cl   30.1220  -19.6707
            17  X   Cl   21.6058  -18.9730
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15    4  14 1
            16   11  15 1
            17    9  16 1
            18    1  17 1


entry: C15249
name: --- - 2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1- carboxylic acid
formula: C13H13Cl2NO3
kcf:
ATOM        19
            1   C8y C    23.4614  -18.6420
            2   C8x C    23.4614  -20.0445
            3   C8y C    24.6797  -20.7494
            4   C8x C    25.8911  -20.0445
            5   C8y C    25.8911  -18.6420
            6   C8x C    24.6797  -17.9443
            7   N1b N    27.0979  -17.9443
            8   C5a C    28.3100  -18.6351
            9   C1z C    29.5223  -17.9374
            10  O5a O    28.3031  -20.0374
            11  X   Cl   24.7365  -22.1517
            12  X   Cl   22.2320  -17.9297
            13  C1z C    30.9223  -17.9374
            14  C1x C    30.2223  -16.7250
            15  C1a C    28.5324  -16.9475
            16  C1a C    32.1402  -18.6407
            17  C6a C    31.9298  -16.9299
            18  O6a O    33.2754  -17.2906
            19  O6a O    31.5694  -15.5846
BOND        20
            1     1   2 2
            2     7   8 1
            3     2   3 1
            4     8   9 1
            5     3   4 2
            6     4   5 1
            7     8  10 2
            8     5   6 2
            9     6   1 1
            10    3  11 1
            11    5   7 1
            12    1  12 1
            13    9  13 1
            14    9  14 1
            15   13  14 1
            16    9  15 1
            17   13  16 1
            18   13  17 1
            19   17  18 1
            20   17  19 2


entry: C15250
name: --- - 3-(3,4-Dichlorophenyl)-1-hydroxy-1-methylurea - Hydroxylinuron
formula: C8H8Cl2N2O2
kcf:
ATOM        14
            1   C8x C    13.1006  -27.1804
            2   C8y C    13.1006  -28.5828
            3   C8y C    14.3188  -29.2876
            4   C8x C    15.5302  -28.5828
            5   C8y C    15.5302  -27.1804
            6   C8x C    14.3188  -26.4827
            7   N1b N    16.7369  -26.4827
            8   C5a C    17.9489  -27.1735
            9   N1c N    19.1611  -26.4758
            10  O1b O    20.3662  -27.1663
            11  O5a O    17.9420  -28.5757
            12  C1a C    19.1540  -25.0733
            13  X   Cl   11.8884  -29.2805
            14  X   Cl   14.3756  -30.6899
BOND        14
            1     1   2 2
            2     7   8 1
            3     2   3 1
            4     8   9 1
            5     3   4 2
            6     9  10 1
            7     4   5 1
            8     8  11 2
            9     5   6 2
            10    9  12 1
            11    6   1 1
            12    2  13 1
            13    3  14 1
            14    5   7 1


entry: C15251
name: --- - 3-Aza-A-homocholest-4a-en-4-one
formula: C27H45NO
kcf:
ATOM        29
            1   C1y C    26.0998  -19.1058
            2   C1y C    24.9629  -19.7619
            3   C1z C    26.0998  -17.7934
            4   C1x C    28.3737  -19.1058
            5   C1y C    23.8317  -19.1058
            6   C1x C    24.9572  -21.0742
            7   C1y C    27.2482  -17.1374
            8   C1x C    24.9629  -17.1374
            9   C1a C    26.0941  -16.4811
            10  C1x C    28.3737  -17.7934
            11  C1z C    22.6834  -19.7619
            12  C1x C    23.8317  -17.7934
            13  C1c C    27.2482  -15.8250
            14  C2y C    22.6834  -21.0742
            15  C1x C    21.5521  -19.1058
            16  C1a C    22.6720  -18.4496
            17  C1b C    28.4076  -15.1576
            18  C1a C    26.0828  -15.1520
            19  C1x C    20.4152  -19.7619
            20  C1b C    29.5673  -15.8306
            21  N1x N    20.4152  -21.0742
            22  C1b C    30.7268  -15.1576
            23  C1c C    31.8920  -15.8306
            24  C1a C    33.0516  -15.1632
            25  C1a C    31.8864  -17.3746
            26  C5x C    20.7748  -22.4161
            27  C2x C    22.3238  -22.4161
            28  O5x O    19.9347  -23.5112
            29  C1x C    23.8148  -21.7742
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    7  13 1
            13   11  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   13  17 1
            17   13  18 1 #Down
            18   15  19 1
            19   17  20 1
            20   20  22 1
            21   22  23 1
            22   23  24 1
            23   23  25 1
            24    7  10 1
            25    8  12 1
            26   19  21 1
            27   21  26 1
            28   14  27 2
            29   26  27 1
            30   26  28 2
            31    6  29 1
            32   29  14 1


entry: C15252
formula: C20H32O2
name:
--- 
- 17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one
- 4,5alpha-Dihydro-4alpha-methyltestosterone

kcf:
ATOM        22
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1y C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O1a O    29.4047  -15.6800
            22  C1a C    23.5561  -23.4496
BOND        25
            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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25   17  22 1 #Down


entry: C15253
formula: C22H31FO3
name:
--- 
- 16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate
- 16beta-Fluorotestosterone propionate

kcf:
ATOM        26
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1y C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  X   F    31.7900  -17.0590
            22  O7a O    29.4047  -15.6800
            23  C7a C    30.6171  -14.9881
            24  C1b C    31.8022  -15.6804
            25  O7a O    30.6244  -13.5804
            26  C1a C    33.0015  -14.9960
BOND        29
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   16  21 1 #Up
            25   14  22 1 #Up
            26   22  23 1
            27   23  24 1
            28   23  25 2
            29   24  26 1


entry: C15254
formula: C21H28O3
name:
--- 
- 3-(Allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol
- 3-(2-Propenyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol
- 3-Allyloxyestriol

kcf:
ATOM        24
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1y C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8x C    22.3057  -20.0453
            18  C8y C    22.2995  -21.3980
            19  O1a O    29.3656  -15.9605
            20  O1a O    31.8113  -17.3756
            21  O2a O    21.1084  -22.1040
            22  C1b C    19.9189  -21.4352
            23  C2b C    18.7443  -22.1315
            24  C2a C    17.5311  -21.4494
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
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22    8  19 1 #Up
            23   10  20 1 #Down
            24   18  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 2


entry: C15255
name: --- - 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol
formula: C19H24O2
kcf:
ATOM        21
            1   C1y C    31.1620  -20.6137
            2   C1y C    29.9869  -21.2886
            3   C1z C    31.1679  -19.2641
            4   C1x C    33.5646  -20.5730
            5   C1y C    28.8175  -20.5963
            6   C2x C    29.9869  -22.6442
            7   C1x C    30.0101  -18.5773
            8   C1y C    32.3491  -18.6007
            9   C1a C    31.1620  -17.9084
            10  C1x C    33.5127  -19.2929
            11  C8y C    27.6365  -21.2771
            12  C1x C    28.8294  -19.2463
            13  C2x C    28.8057  -23.3134
            14  C8y C    27.6307  -22.6326
            15  C8y C    26.4611  -20.5963
            16  C8x C    26.4611  -23.3075
            17  C8x C    25.2222  -21.2771
            18  C8y C    25.2160  -22.6326
            19  O1a O    24.0224  -23.3400
            20  O1a O    32.3668  -17.1837
            21  C1a C    26.4764  -19.2180
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
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 1
            23    8  20 1 #Up
            24   15  21 1


entry: C15256
formula: C23H31FO6
name:
--- 
- 6alpha-Fluoro-17-hydroxycorticosterone 21-acetate
- 6alpha-Fluoro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate

kcf:
ATOM        30
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1y C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1y C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1z C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1b C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O7a O    31.2426  -17.0098
            25  C7a C    32.4431  -16.3289
            26  C1a C    33.6173  -17.0189
            27  O7a O    32.3845  -14.9107
            28  X   F    25.5211  -24.0094
            29  O1a O    24.3453  -18.1167
            30  O1a O    30.4112  -17.9384
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
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   20  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31    9  28 1 #Down
            32    6  29 1 #Up
            33   14  30 1 #Down


entry: C15257
name: --- - 17beta-Hydroxyestr-5(10)-en-3-one - Prenortestosterone
formula: C18H26O2
kcf:
ATOM        20
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C2y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C2y C    24.7092  -21.3980
            15  C1x C    23.5421  -19.3660
            16  C1x C    23.5421  -22.0715
            17  C1x C    22.3057  -20.0453
            18  C5x C    22.2995  -21.3980
            19  O5x O    21.1084  -22.1040
            20  O1a O    29.3656  -15.9605
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 2
            23    8  20 1 #Up


entry: C15258
name: --- - 17beta-Hydroxy-2alpha-methylestr-4-en-3-one - 2alpha-Methyl-19-nortestosterone
formula: C19H28O2
kcf:
ATOM        21
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C1y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C2y C    24.7092  -21.3980
            15  C1x C    23.5421  -19.3660
            16  C2x C    23.5421  -22.0715
            17  C1y C    22.3057  -20.0453
            18  C5x C    22.2995  -21.3980
            19  O5x O    21.1084  -22.1040
            20  O1a O    29.3656  -15.9605
            21  C1a C    21.1096  -19.3339
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
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   11  15 1
            15   14  16 2
            16   15  17 1
            17   16  18 1
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 2
            23    8  20 1 #Up
            24   17  21 1 #Down


entry: C15259
name: --- - 17beta-Hydroxy-2alpha,17-dimethylestr-4-en-3-one - 2alpha,17-Dimethyl-19-nortestosterone
formula: C20H30O2
kcf:
ATOM        22
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1z C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C1y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C2y C    24.7092  -21.3980
            15  C1x C    23.5421  -19.3660
            16  C2x C    23.5421  -22.0715
            17  C1y C    22.3057  -20.0453
            18  C5x C    22.2995  -21.3980
            19  O5x O    21.1084  -22.1040
            20  O1a O    29.3656  -15.9605
            21  C1a C    21.1096  -19.3339
            22  C1a C    30.7701  -17.0121
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   11  15 1
            15   14  16 2
            16   15  17 1
            17   16  18 1
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 2
            23    8  20 1 #Up
            24   17  21 1 #Down
            25    8  22 1 #Down


entry: C15260
name: --- - 5beta-Pregn-11-ene-3,20-dione
formula: C21H30O2
kcf:
ATOM        23
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C2x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C1y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C2x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C1x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
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 2
            13    7  14 1
            14    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2


entry: C15261
name: --- - Estra-1,3,5(10)-triene-3,16beta-diol - 16beta-Estradiol
formula: C18H24O2
kcf:
ATOM        20
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1x C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1y C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8x C    22.3057  -20.0453
            18  C8y C    22.2995  -21.3980
            19  O1a O    21.1084  -22.1040
            20  O1a O    31.8113  -17.3756
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 1
            23   10  20 1 #Up


entry: C15262
name: --- - 3-Methoxyestra-1,3,5(10)-trien-16beta-ol - 16beta-Estradiol-3-methyl ether
formula: C20H28O
kcf:
ATOM        21
            1   C1y C    28.8400  -19.3200
            2   C1y C    27.7200  -20.0200
            3   C1z C    28.8400  -17.9900
            4   C1x C    31.2200  -19.3200
            5   C1y C    26.5300  -19.3200
            6   C1x C    27.7200  -21.3500
            7   C1x C    27.7200  -17.2900
            8   C1x C    30.0300  -17.2900
            9   C1a C    28.8400  -16.5900
            10  C1y C    31.2200  -17.9900
            11  C8y C    25.3400  -19.9500
            12  C1x C    26.5300  -17.9200
            13  C1x C    26.5300  -21.9800
            14  C8y C    25.3400  -21.3500
            15  C8x C    24.1500  -19.3200
            16  C8x C    24.1500  -21.9800
            17  C8x C    22.9600  -19.9500
            18  C8y C    22.9600  -21.3500
            19  C1a C    32.4100  -17.2900
            20  O2a O    21.7700  -22.0500
            21  C1a C    20.5800  -21.3500
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
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   10  19 1 #Up
            23   18  20 1
            24   20  21 1


entry: C15263
name: --- - A-Norpregn-3(5)-ene-2,20-dione - A-Norprogesterone
formula: C20H28O2
kcf:
ATOM        22
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C5x C    22.2876  -20.7423
            17  C5a C    28.9189  -16.9021
            18  C2x C    22.2876  -22.0126
            19  C1a C    30.0087  -16.2845
            20  C1a C    27.7943  -17.4018
            21  O5x O    21.0439  -20.0264
            22  O5a O    27.6886  -16.1857
BOND        25
            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    8  15 1
            15   11  16 1
            16   14  17 1 #Up
            17   17  19 1
            18    7  13 1
            19    9  10 1
            20   14  15 1
            21   16  18 1
            22    7  20 1 #Up
            23   18  10 2
            24   16  21 2
            25   17  22 2


entry: C15264
name: --- - 17beta-Hydroxy-5alpha-androstane acetate - 17beta-Acetoxy-5alpha-androstane
formula: C21H34O2
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1x C    22.4203  -21.1309
            20  O7a O    29.4047  -15.6800
            21  C7a C    30.6171  -14.9881
            22  C1a C    31.8022  -15.6804
            23  O7a O    30.6244  -13.5804
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   14  20 1 #Up
            24   20  21 1
            25   21  22 1
            26   21  23 2


entry: C15265
name: --- - 16beta-Methylpregn-4-ene-3,20-dione - 16beta-Methylprogesterone
formula: C22H32O2
kcf:
ATOM        24
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1y C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  C1a C    31.2352  -18.1175
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
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   15  24 1 #Up


entry: C15266
name: --- - 17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate - D-Homotestosterone propionate
formula: C23H34O3
kcf:
ATOM        26
            1   C1y C    27.6530  -20.3388
            2   C1y C    26.4695  -19.6800
            3   C1y C    28.8074  -19.6683
            4   C1x C    27.6588  -21.6914
            5   C1z C    25.3093  -20.3562
            6   C1x C    26.4638  -18.3333
            7   C1z C    28.8657  -18.3274
            8   C1x C    31.1685  -19.6683
            9   C1x C    26.4869  -22.3851
            10  C2y C    25.3268  -21.7088
            11  C1x C    24.1432  -19.6916
            12  C1a C    25.3034  -19.0153
            13  C1x C    27.6297  -17.6570
            14  C1y C    29.9733  -17.6337
            15  C1a C    28.8540  -16.9165
            16  C1x C    31.1511  -18.3157
            17  C2x C    24.1549  -22.3967
            18  C1x C    22.9715  -20.3679
            19  O7a O    29.9676  -16.2228
            20  C5x C    22.9774  -21.7205
            21  O5x O    21.7706  -22.4201
            22  C1x C    30.0199  -20.3683
            23  C7a C    31.1800  -15.5228
            24  C1b C    32.3769  -16.2143
            25  O7a O    31.1799  -14.1403
            26  C1a C    33.6025  -15.5066
BOND        29
            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     4   9 1
            8     5  10 1
            9     5  11 1
            10    5  12 1 #Up
            11    6  13 1
            12    7  14 1
            13    7  15 1 #Up
            14    8  16 1
            15   10  17 2
            16   11  18 1
            17   14  19 1 #Up
            18   17  20 1
            19   20  21 2
            20    7  13 1
            21    9  10 1
            22   14  16 1
            23   18  20 1
            24    3  22 1
            25    8  22 1
            26   19  23 1
            27   23  24 1
            28   23  25 2
            29   24  26 1


entry: C15267
name: --- - (17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester
formula: C22H28O4
kcf:
ATOM        26
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C5x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C2y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C2b C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    27.7943  -17.6818
            21  O5x O    21.0654  -22.7100
            22  O5x O    24.3453  -18.1167
            23  C7a C    27.6886  -16.1857
            24  O7a O    26.5040  -16.8639
            25  O7a O    27.6935  -14.7703
            26  C1a C    25.3163  -16.1721
BOND        29
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 2
            18   16  19 1
            19    7  13 1
            20    9  10 1
            21   14  15 1
            22   17  19 1
            23    7  20 1 #Up
            24   19  21 2
            25    6  22 2
            26   18  23 1
            27   23  24 1
            28   23  25 2
            29   24  26 1


entry: C15268
formula: C14H11NO3
name:
--- 
- trans-2-(4-Nitrophenyl)-3-phenyloxirane
- trans- alpha,alpha'-Epoxy-4-nitrobibenzyl
- trans-4-Nitrostilbene oxide

kcf:
ATOM        18
            1   C8x C    20.9202  -18.5378
            2   C8x C    20.9202  -19.9369
            3   C8x C    22.1318  -20.6365
            4   C8x C    23.3435  -19.9369
            5   C8y C    23.3435  -18.5378
            6   C8x C    22.1318  -17.8383
            7   C1y C    24.5738  -17.8273
            8   C1y C    25.9729  -17.8273
            9   O2x O    25.2734  -16.6156
            10  C8y C    27.1772  -18.5226
            11  C8x C    27.1774  -19.9366
            12  C8x C    28.3891  -20.6360
            13  C8y C    29.6007  -19.9362
            14  C8x C    29.6004  -18.5224
            15  C8x C    28.3887  -17.8229
            16  N2b N    30.8081  -20.6331 #+
            17  O3a O    30.8084  -22.0353
            18  O0  O    31.9998  -19.9446 #-
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   5 1 #Down
            8     7   8 1
            9     7   9 1
            10    8   9 1
            11    8  10 1 #Up
            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   13  16 1
            19   16  17 2
            20   16  18 1


entry: C15269
formula: C24H33FO6
name:
--- 
- 9-Fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
- 9-Fluoro-2alpha-methylcortisol 21-acetate

kcf:
ATOM        31
            1   C1y C    26.6870  -20.7306
            2   C1z C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1y C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1z C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1y C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1b C    30.0087  -16.2845
            21  X   F    25.5683  -21.3483
            22  C1a C    27.7943  -17.4018
            23  O5x O    21.0654  -22.7100
            24  O5a O    27.6886  -16.1857
            25  O7a O    31.2426  -17.0098
            26  C7a C    32.4431  -16.3289
            27  C1a C    33.6173  -17.0189
            28  O7a O    32.3845  -14.9107
            29  O1a O    24.3454  -18.1167
            30  O1a O    30.2712  -17.9385
            31  C1a C    21.0439  -20.0264
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    2  21 1 #Down
            25    7  22 1 #Up
            26   19  23 2
            27   18  24 2
            28   20  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 2
            32    6  29 1 #Up
            33   14  30 1 #Down
            34   17  31 1 #Down


entry: C15270
formula: C11H14ClN5. HCl
name:
--- 
- Cycloguanil hydrochloride
- 1-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4- diamine monohydrochloride

kcf:
ATOM        18
            1   C2y C    16.9061  -14.6226
            2   N1y N    18.1344  -15.3003
            3   N2x N    15.7139  -15.3370
            4   C1z C    18.0961  -16.6968
            5   C2y C    15.6685  -16.7218
            6   N2x N    16.9664  -17.4066
            7   C8y C    19.3412  -14.6106
            8   C8x C    19.3412  -13.2183
            9   C8x C    20.5423  -15.3062
            10  C8x C    20.5481  -12.5216
            11  C8x C    21.7420  -14.6164
            12  C8y C    21.7480  -13.2242
            13  X   Cl   22.9578  -12.5275
            14  N1a N    16.9507  -13.2292
            15  N1a N    14.5422  -17.4427
            16  C1a C    18.8516  -17.9010
            17  C1a C    19.5591  -16.6963
            18  X   Cl   24.2200  -15.8200
BOND        18
            1     1   2 1
            2     1   3 2
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   6 2
            7     7   2 1
            8     7   8 1
            9     7   9 2
            10    8  10 2
            11    9  11 1
            12   10  12 1
            13   11  12 2
            14   12  13 1
            15    1  14 1
            16    5  15 1
            17    4  16 1
            18    4  17 1


entry: C15271
formula: C22H29FO3
name:
--- 
- 9-Fluoro-2alpha-methylpregn-4-ene-3,11,20-trione
- 9-Fluoro-2alpha-methyl-11-oxoprogesterone

kcf:
ATOM        26
            1   C1y C    26.6870  -20.7306
            2   C1z C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C5x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1y C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  X   F    25.5683  -21.3483
            22  C1a C    27.7943  -17.4018
            23  O5x O    21.0654  -22.7100
            24  O5x O    24.3453  -18.1167
            25  O5a O    27.6886  -16.1857
            26  C1a C    21.0439  -20.0264
BOND        29
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    2  21 1 #Down
            25    7  22 1 #Up
            26   19  23 2
            27    6  24 2
            28   18  25 2
            29   17  26 1 #Down


entry: C15272
name: --- - 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate
formula: C25H38O5
kcf:
ATOM        30
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C1y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1y C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C1x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C1y C    22.2876  -22.0126
            20  C1a C    27.7243  -17.7518
            21  O5a O    27.9686  -15.7657
            22  O7a O    21.0654  -22.7100
            23  C7a C    19.8470  -21.9986
            24  C1a C    18.6640  -22.6738
            25  O7a O    19.8536  -20.5802
            26  O7a O    26.6683  -16.8000
            27  C7a C    25.4536  -16.1070
            28  C1a C    24.2676  -16.8001
            29  O7a O    25.4461  -14.7004
            30  C1a C    30.2370  -16.4237
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
            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    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19    7  13 1
            20    9  10 1
            21   14  15 1
            22   17  19 1
            23    7  20 1 #Up
            24   18  21 2
            25   19  22 1 #Down
            26   22  23 1
            27   23  24 1
            28   23  25 2
            29   13  26 1 #Down
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   18  30 1


entry: C15273
name: --- - 17beta-Hydroxy-5alpha-androst-1-en-3-one propionate
formula: C22H32O3
kcf:
ATOM        25
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C2x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C2x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O7a O    29.4047  -15.6800
            22  C7a C    30.6171  -14.9881
            23  C1b C    31.8022  -15.6804
            24  O7a O    30.6244  -13.5804
            25  C1a C    33.0015  -14.9960
BOND        28
            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 1
            17   11  18 2
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25   21  22 1
            26   22  23 1
            27   22  24 2
            28   23  25 1


entry: C15274
name: --- - Allobetulinol - Allobetulin - 19beta,28-Epoxy-18alpha-oleanan-3beta-ol
formula: C30H50O2
kcf:
ATOM        32
            1   C1z C    29.4890  -19.2065
            2   C1z C    30.7028  -18.5063
            3   C1y C    28.2812  -18.4946
            4   C1x C    29.4890  -20.6068
            5   C1a C    29.4774  -18.0802
            6   C1y C    30.7202  -17.1117
            7   C1x C    31.8990  -19.2240
            8   C1a C    30.7611  -19.9066
            9   C1z C    27.0676  -19.1949
            10  C1x C    28.2929  -17.0942
            11  C1x C    28.2695  -21.3012
            12  C1y C    31.9340  -16.4348
            13  C1x C    29.5124  -16.4057
            14  C1x C    33.1126  -18.5354
            15  C1y C    27.0559  -20.5951
            16  C1x C    25.8540  -18.4887
            17  C1a C    27.0502  -17.7885
            18  C1z C    33.1302  -17.1467
            19  C1y C    31.8874  -15.0403
            20  C1z C    25.8540  -21.2953
            21  C1x C    24.6345  -19.1949
            22  C1x C    34.3495  -16.4698
            23  C1z C    33.1710  -14.3575
            24  C1y C    24.6345  -20.5951
            25  C1a C    25.0021  -22.6491
            26  C1a C    26.6941  -22.6490
            27  C1x C    34.3671  -15.0753
            28  C1a C    34.0752  -13.1380
            29  C1a C    32.1791  -13.1380
            30  O1a O    23.4207  -21.2953
            31  O2x O    33.2397  -15.4027
            32  C1x C    33.5897  -16.1951
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15    9  16 1
            16    9  17 1 #Up
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   19  23 1
            23   20  24 1
            24   20  25 1
            25   20  26 1
            26   22  27 1
            27   23  28 1
            28   23  29 1
            29   24  30 1 #Up
            30   10  13 1
            31   11  15 1
            32   14  18 1
            33   21  24 1
            34   23  27 1
            35   19  31 1 #Up
            36   31  32 1
            37   18  32 1 #Up


entry: C15275
formula: C24H34O6
name:
--- 
- 21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
- 17-Hydroxy-6alpha-methylcorticosterone 21-acetate

kcf:
ATOM        30
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1y C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1y C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1z C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1b C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O7a O    31.2426  -17.0098
            25  C7a C    32.4431  -16.3289
            26  C1a C    33.6173  -17.0189
            27  O7a O    32.3845  -14.9107
            28  O1a O    24.3453  -18.1167
            29  O1a O    30.3189  -18.1608
            30  C1a C    25.5211  -24.0094
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
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   20  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31    6  28 1 #Up
            32   14  29 1 #Down
            33    9  30 1 #Down


entry: C15276
name: --- - 2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one - 2alpha-Fluorotestosterone
formula: C19H27FO2
kcf:
ATOM        22
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1y C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  X   F    21.2026  -19.0845
            22  O1a O    29.4047  -15.6800
BOND        25
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   18  21 1 #Down
            25   14  22 1 #Up


entry: C15277
name: --- - 3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
formula: C20H26O2
kcf:
ATOM        22
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C8y C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C8y C    24.4728  -22.0126
            11  C8x C    23.3715  -20.1130
            12  C1x C    26.6754  -18.1667
            13  C1y C    28.9189  -18.1608
            14  C1x C    30.0261  -18.8077
            15  C8x C    23.3715  -22.6536
            16  C8x C    22.2876  -20.7423
            17  C5a C    28.9189  -16.9021
            18  C8y C    22.2876  -22.0126
            19  C1a C    30.0087  -16.2845
            20  C1a C    27.7943  -17.4018
            21  O5a O    27.6886  -16.1857
            22  O1a O    21.0654  -22.7100
BOND        25
            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 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   11  16 2
            16   13  17 1 #Up
            17   15  18 2
            18   17  19 1
            19    7  12 1
            20    9  10 1
            21   13  14 1
            22   16  18 1
            23    7  20 1 #Up
            24   17  21 2
            25   18  22 1


entry: C15278
name: --- - 4,4'-(2-Methylpropylidene)bisphenol - 4,4'-isobutylidenediphenol
formula: C16H18O2
kcf:
ATOM        18
            1   C8x C    22.8115  -19.6618
            2   C8y C    22.8115  -21.0611
            3   C8x C    24.0233  -21.7607
            4   C8x C    25.2352  -21.0611
            5   C8y C    25.2352  -19.6618
            6   C8x C    24.0233  -18.9621
            7   C1c C    26.4656  -18.9511
            8   O1a O    21.5997  -21.7607
            9   C8y C    27.6702  -19.6465
            10  C1c C    26.4653  -17.5629
            11  C1a C    25.2417  -16.8567
            12  C1a C    27.6652  -16.8698
            13  C8x C    27.6706  -21.0607
            14  C8x C    28.8827  -21.7600
            15  C8y C    30.0943  -21.0600
            16  C8x C    30.0938  -19.6457
            17  C8x C    28.8818  -18.9464
            18  O1a O    31.3019  -21.7567
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     2   8 1
            9     7   9 1
            10    7  10 1
            11   10  11 1
            12   10  12 1
            13    9  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18    9  17 1
            19   15  18 1


entry: C15279
name: --- - 2-Amino-6-(benzylthio)purine - 6-Benzylthioguanine - Benzythioguanine
formula: C12H11N5S
kcf:
ATOM        18
            1   N5x N    18.1300  -18.4100
            2   C8y C    18.1300  -19.8100
            3   N5x N    19.3424  -20.5100
            4   C8y C    20.5549  -19.8100
            5   C8y C    20.5549  -18.4100
            6   C8y C    19.3424  -17.7100
            7   N1a N    16.9176  -20.5100
            8   S2a S    19.3424  -16.3102
            9   C1b C    20.5548  -15.6102
            10  C8y C    20.5549  -14.2102
            11  C8x C    21.7862  -13.4992
            12  C8x C    21.7861  -12.0992
            13  C8x C    20.5736  -11.3993
            14  C8x C    19.3423  -12.1103
            15  C8x C    19.3424  -13.5103
            16  N4x N    21.8864  -20.2426
            17  C8x C    22.7093  -19.1100
            18  N5x N    21.8864  -17.9774
BOND        20
            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     2   7 1
            8     6   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17    4  16 1
            18   16  17 1
            19   17  18 2
            20    5  18 1


entry: C15280
formula: C25H36O4
name:
--- 
- 16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
- 16alpha,17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione cyclic acetal with acetone

kcf:
ATOM        29
            1   C1x C    25.2216  -21.7582
            2   C5x C    25.2216  -23.1130
            3   C2x C    26.3949  -23.7902
            4   C2y C    27.5679  -23.1130
            5   C1z C    27.5679  -21.7582
            6   C1x C    26.3949  -21.0808
            7   C1y C    28.7413  -23.7902
            8   C1x C    29.9144  -23.1130
            9   C1y C    29.9144  -21.7582
            10  C1y C    28.7413  -21.0808
            11  C1y C    31.0877  -21.0808
            12  C1z C    31.0877  -19.7263
            13  C1x C    29.9144  -19.0490
            14  C1x C    28.7413  -19.7263
            15  C1x C    33.4340  -21.0808
            16  C1y C    33.4340  -19.7263
            17  C1z C    32.2609  -19.0490
            18  C1a C    31.1146  -18.3716
            19  C1a C    27.5649  -20.3645
            20  O5x O    24.0237  -23.8048
            21  C5a C    32.2605  -17.6284
            22  O5a O    31.0667  -16.9396
            23  C1a C    33.4796  -16.9242
            24  O2x O    33.4617  -18.3249
            25  O2x O    34.8546  -19.7179
            26  C1z C    34.8546  -18.3249
            27  C1a C    36.1416  -18.8579
            28  C1a C    35.5546  -17.1125
            29  C1a C    28.7412  -25.1997
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   12  18 1 #Up
            22    5  19 1 #Up
            23    2  20 2
            24   17  21 1 #Up
            25   21  22 2
            26   21  23 1
            27   17  24 1 #Down
            28   16  25 1 #Down
            29   24  26 1
            30   25  26 1
            31   26  27 1
            32   26  28 1
            33    7  29 1 #Down


entry: C15281
name: --- - 17beta-Nitro-5alpha-androstane
formula: C19H31NO2
kcf:
ATOM        22
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1x C    22.4203  -21.1309
            20  N2b N    29.4047  -15.6800 #+
            21  O0  O    30.6171  -14.9881 #-
            22  O3a O    28.1923  -14.9719
BOND        25
            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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   14  20 1 #Up
            24   20  21 1
            25   20  22 2


entry: C15282
name: --- - 17beta-Hydroxyestr-5(10)-en-3-one acetate - 19-Norandrost-5(10)-en-17beta-acetoxy-3-one
formula: C20H28O3
kcf:
ATOM        23
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C2y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C2y C    24.7092  -21.3980
            15  C1x C    23.5421  -19.3660
            16  C1x C    23.5421  -22.0715
            17  C1x C    22.3057  -20.0453
            18  C5x C    22.2995  -21.3980
            19  O5x O    21.1084  -22.1040
            20  O7a O    29.3656  -15.9605
            21  C7a C    30.5780  -15.2605
            22  C1a C    31.7992  -15.9656
            23  O7a O    30.5780  -13.8601
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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 2
            23    8  20 1 #Up
            24   20  21 1
            25   21  22 1
            26   21  23 2


entry: C15283
name: --- - 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate
formula: C26H40O3
kcf:
ATOM        29
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O7a O    29.4047  -15.6800
            22  C7a C    30.6171  -14.9881
            23  C1y C    31.8022  -15.6804
            24  O7a O    30.6244  -13.5804
            25  C1x C    31.7950  -17.0799
            26  C1x C    33.0039  -17.7861
            27  C1x C    34.2199  -17.0923
            28  C1x C    34.2270  -15.6928
            29  C1x C    33.0182  -14.9866
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
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25   21  22 1
            26   22  23 1
            27   22  24 2
            28   23  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   23  29 1


entry: C15284
name: --- - 6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate - 6beta-Hydroxytestosterone diacetate
formula: C23H32O5
kcf:
ATOM        28
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1y C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O7a O    25.8721  -23.1697
            22  O7a O    29.4047  -15.6800
            23  C7a C    30.6171  -14.9881
            24  C1a C    31.8022  -15.6804
            25  O7a O    30.6244  -13.5804
            26  C7a C    24.6730  -23.8442
            27  C1a C    23.4561  -23.1228
            28  O7a O    24.6574  -25.2699
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 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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24    9  21 1 #Up
            25   14  22 1 #Up
            26   22  23 1
            27   23  24 1
            28   23  25 2
            29   21  26 1
            30   26  27 1
            31   26  28 2


entry: C15285
name: --- - 17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol - U6952
formula: C20H34O3
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1y C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1z C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1y C    22.4203  -21.1309
            20  O1a O    21.1852  -21.8359
            21  O1a O    24.6846  -17.0852
            22  O1a O    29.4047  -15.6800
            23  C1a C    30.7500  -16.7120
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 1 #Up
            24    6  21 1 #Up
            25   14  22 1 #Up
            26   14  23 1 #Down


entry: C15286
name: --- - 4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one - 4beta,5beta-Epoxytestosterone
formula: C19H28O3
kcf:
ATOM        22
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1z C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1y C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O2x O    24.7742  -22.5050
            21  O1a O    29.4047  -15.6800
            22  O5x O    21.1852  -21.8359
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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   17  20 1 #Up
            24   10  20 1 #Up
            25   14  21 1 #Up
            26   19  22 2


entry: C15287
name: --- - 11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one
formula: C20H28O3
kcf:
ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1y C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C2x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1z C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C2x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O1a O    24.6845  -17.0852
            22  O1a O    29.4047  -15.6800
            23  C1a C    30.7500  -16.7121
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 2
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24    6  21 1 #Up
            25   14  22 1 #Up
            26   14  23 1 #Down


entry: C15288
name: --- - 5alpha-Androstane-11beta,17beta-diol
formula: C19H32O2
kcf:
ATOM        21
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1y C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1x C    22.4203  -21.1309
            20  O1a O    24.6846  -17.0852
            21  O1a O    29.4047  -15.6800
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
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23    6  20 1 #Up
            24   14  21 1 #Up


entry: C15289
name: --- - 16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate
formula: C25H36O5
kcf:
ATOM        30
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1y C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O7a O    29.4047  -15.6800
            22  O7a O    31.7900  -17.0590
            23  C7a C    30.6171  -14.9881
            24  C1b C    31.8022  -15.6804
            25  O7a O    30.6244  -13.5804
            26  C1a C    33.0015  -14.9960
            27  C7a C    33.0012  -17.7646
            28  C1b C    34.1862  -17.0866
            29  O7a O    32.9960  -19.1798
            30  C1a C    35.3734  -17.7784
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
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up
            25   16  22 1 #Down
            26   21  23 1
            27   23  24 1
            28   23  25 2
            29   24  26 1
            30   22  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 1


entry: C15290
formula: C25H36O5
name:
--- 
- 2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate
- 2alpha-Hydroxytestosterone dipropionate

kcf:
ATOM        30
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1y C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O7a O    21.2026  -19.0845
            22  O7a O    29.4047  -15.6800
            23  C7a C    30.6171  -14.9881
            24  C1b C    31.8022  -15.6804
            25  O7a O    30.6244  -13.5804
            26  C1a C    33.0015  -14.9959
            27  C7a C    19.9817  -19.7818
            28  C1b C    18.7619  -19.0695
            29  O7a O    19.9755  -21.2098
            30  C1a C    17.5574  -19.7567
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
            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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   18  21 1 #Down
            25   14  22 1 #Up
            26   22  23 1
            27   23  24 1
            28   23  25 2
            29   24  26 1
            30   21  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 1


entry: C15291
name: --- - 6alpha-Hydroxycortisol - 6alpha,11beta,17,21-Tetrahydroxypregn-4-ene-3,20-dione
formula: C21H30O6
kcf:
ATOM        27
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1y C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1y C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1z C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1b C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O1a O    25.5211  -24.0094
            25  O1a O    24.3453  -18.1167
            26  O1a O    30.2712  -17.9384
            27  O1a O    31.2426  -17.0098
BOND        30
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27    9  24 1 #Down
            28    6  25 1 #Up
            29   14  26 1 #Down
            30   20  27 1


entry: C15292
name: --- - A-Nor-5alpha-cholestan-2-one
formula: C26H44O
kcf:
ATOM        27
            1   C1y C    26.5059  -20.0138
            2   C1y C    25.3119  -20.7129
            3   C1z C    26.5119  -18.6343
            4   C1x C    28.8934  -20.0262
            5   C1y C    24.1244  -20.0262
            6   C1x C    25.3366  -22.1233
            7   C1y C    27.7057  -17.9479
            8   C1x C    25.3058  -17.9539
            9   C1a C    26.5386  -17.1684
            10  C1x C    28.8997  -18.6467
            11  C1z C    22.9429  -20.7190
            12  C1x C    24.1490  -18.4489
            13  C1x C    24.1367  -22.7604
            14  C1c C    27.7120  -16.5994
            15  C1y C    22.9429  -22.0798
            16  C1x C    21.7676  -20.0449
            17  C1a C    22.9323  -19.0969
            18  C1b C    28.8811  -15.9312
            19  C1a C    26.1883  -15.8967
            20  C5x C    20.5985  -20.7190
            21  C1b C    30.0441  -16.6118
            22  C1x C    20.5985  -22.0798
            23  C1b C    31.2070  -15.9436
            24  C1c C    32.3698  -16.6179
            25  C1a C    33.5390  -15.9498
            26  C1a C    32.3698  -17.9663
            27  O5x O    19.3729  -20.0108
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   16  20 1
            20   18  21 1
            21   21  23 1
            22   23  24 1
            23   24  25 1
            24   24  26 1
            25    7  10 1
            26    8  12 1
            27   13  15 1
            28   20  22 1
            29   22  15 1
            30   20  27 2


entry: C15293
name: --- - 17beta-Hydroxyandrosta-4,9(11)-dien-3-one - 9(11)-Dehydrotestosterone
formula: C19H26O2
kcf:
ATOM        21
            1   C1y C    27.0475  -19.7828
            2   C2y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C2x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C2y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C2x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C5x C    22.4203  -21.1309
            20  O5x O    21.1852  -21.8359
            21  O1a O    29.4047  -15.6800
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     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   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   19  20 2
            24   14  21 1 #Up


entry: C15294
formula: C34H51N
name:
--- 
- N-Methylindolo[3,2-b]-5alpha-cholest-2-ene
- 1'-Methyl-1'H-5alpha-cholest-2-eno[3,2-b]indole

kcf:
ATOM        35
            1   C1y C    26.5059  -20.0138
            2   C1y C    25.3119  -20.7129
            3   C1z C    26.5119  -18.6343
            4   C1x C    28.8934  -20.0262
            5   C1y C    24.1244  -20.0262
            6   C1x C    25.3366  -22.1233
            7   C1y C    27.7057  -17.9479
            8   C1x C    25.3058  -17.9539
            9   C1a C    26.5386  -17.1684
            10  C1x C    28.8997  -18.6467
            11  C1z C    22.9429  -20.7190
            12  C1x C    24.1490  -18.4489
            13  C1x C    24.1367  -22.7604
            14  C1c C    27.7120  -16.5994
            15  C1y C    22.9429  -22.0798
            16  C1x C    21.7676  -20.0449
            17  C1a C    22.9323  -19.0969
            18  C1b C    28.8811  -15.9312
            19  C1a C    26.1883  -15.8967
            20  C1x C    21.7676  -22.7665
            21  C8y C    20.5985  -20.7190
            22  C1b C    30.0441  -16.6118
            23  C8y C    20.5985  -22.0798
            24  C1b C    31.2070  -15.9436
            25  C1c C    32.3698  -16.6179
            26  C1a C    33.5390  -15.9498
            27  C1a C    32.3698  -17.9663
            28  C8y C    18.1737  -20.7190
            29  C8y C    18.1737  -22.0798
            30  N4y N    19.3861  -22.7798
            31  C8x C    16.9612  -20.0190
            32  C8x C    15.7488  -20.7190
            33  C8x C    15.7488  -22.0798
            34  C8x C    16.9612  -22.7798
            35  C1a C    19.3862  -24.1500
BOND        40
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 1
            27    7  10 1
            28    8  12 1
            29   13  15 1
            30   21  23 2
            31   21  28 1
            32   28  29 2
            33   29  30 1
            34   23  30 1
            35   28  31 1
            36   31  32 2
            37   32  33 1
            38   33  34 2
            39   29  34 1
            40   30  35 1


entry: C15295
name: --- - 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one - 16-Oxoestradiol 3-methyl ether
formula: C19H24O3
kcf:
ATOM        22
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1y C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C5x C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8x C    22.3057  -20.0453
            18  C8y C    22.2995  -21.3980
            19  O5x O    31.8112  -17.3755
            20  O1a O    29.3656  -15.9605
            21  O2a O    21.1084  -22.1039
            22  C1a C    19.9189  -21.4352
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   10  19 2
            23    8  20 1 #Up
            24   18  21 1
            25   21  22 1


entry: C15296
name: --- - 4,4'-Dinitrostilbene
formula: C14H10N2O4
kcf:
ATOM        20
            1   C8y C    22.2493  -18.6319
            2   C8x C    22.2493  -20.0322
            3   C8x C    23.4658  -20.7358
            4   C8y C    24.6749  -20.0322
            5   C8x C    24.6749  -18.6319
            6   C8x C    23.4658  -17.9355
            7   C2b C    25.8891  -20.7348
            8   C2b C    27.1020  -20.0303
            9   C8y C    28.3160  -20.7331
            10  C8x C    28.3150  -22.1284
            11  C8x C    29.5290  -22.8241
            12  C8y C    30.7350  -22.1265
            13  C8x C    30.7340  -20.7265
            14  C8x C    29.5270  -20.0237
            15  N2b N    21.0411  -17.9314 #+
            16  N2b N    31.9414  -22.8218 #+
            17  O0  O    33.1379  -22.1296 #-
            18  O3a O    31.9425  -24.2198
            19  O0  O    19.8541  -18.6139 #-
            20  O3a O    21.0434  -16.5203
BOND        21
            1     3   4 1
            2     4   5 2
            3     5   6 1
            4     6   1 2
            5     9  10 2
            6    10  11 1
            7    11  12 2
            8    12  13 1
            9    13  14 2
            10   14   9 1
            11    4   7 1
            12    1   2 1
            13    7   8 2
            14    2   3 2
            15    8   9 1
            16    1  15 1
            17   12  16 1
            18   16  17 1
            19   16  18 2
            20   15  19 1
            21   15  20 2


entry: C15297
name: --- - 2,4-Dinitro-1-(3-nitrophenoxy)benzene - 2,4-Dinitro-3'-nitrodiphenyl ether
formula: C12H7N3O7
kcf:
ATOM        22
            1   C8x C    13.4400  -17.2200
            2   C8y C    13.4400  -18.6200
            3   C8x C    14.6524  -19.3200
            4   C8x C    15.8649  -18.6200
            5   C8y C    15.8649  -17.2200
            6   C8y C    14.6524  -16.5200
            7   O2a O    17.0960  -16.5090
            8   C8y C    18.3012  -17.2047
            9   C8x C    18.3016  -18.6196
            10  C8x C    19.5142  -19.3193
            11  C8x C    20.7265  -18.6189
            12  C8y C    20.7260  -17.2039
            13  C8x C    19.5134  -16.5043
            14  N2b N    21.9268  -16.5103 #+
            15  O0  O    23.1308  -17.2052 #-
            16  O3a O    21.9264  -15.1201
            17  N2b N    14.6524  -15.1202 #+
            18  N2b N    12.2276  -19.3200 #+
            19  O3a O    13.4232  -14.4103
            20  O0  O    15.8480  -14.4298 #-
            21  O0  O    11.0321  -18.6296 #-
            22  O3a O    12.2275  -20.7198
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     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   12  14 1
            16   14  15 1
            17   14  16 2
            18    6  17 1
            19    2  18 1
            20   17  19 2
            21   17  20 1
            22   18  21 1
            23   18  22 2


entry: C15298
name: --- - 5alpha-Androstan-2-en-17beta-ol - 17beta-Hydroxy-5alpha-androst-2-ene
formula: C19H30O
kcf:
ATOM        20
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C1y C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C2x C    22.4203  -19.7950
            19  C2x C    22.4203  -21.1309
            20  O1a O    29.4047  -15.6800
BOND        23
            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 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 2
            23   14  20 1 #Up


entry: C15299
name: --- - 7alpha-Methyl-4-pregnene-3,20-dione - 7alpha-Methylprogesterone
formula: C22H32O2
kcf:
ATOM        24
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1y C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  C1a C    27.8689  -22.7029
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
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27    4  24 1 #Down


entry: C15300
formula: C17H17ClO5S
name:
--- 
- Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'- methyl-2'-(methylthio)-3,4'-dione

kcf:
ATOM        24
            1   C8y C    14.6300  -16.4500
            2   C8x C    14.6300  -17.8500
            3   C8y C    15.8424  -18.5500
            4   C8y C    17.0549  -17.8500
            5   C8y C    17.0549  -16.4500
            6   C8y C    15.8424  -15.7500
            7   C5x C    19.4797  -17.8500
            8   C1z C    19.4797  -16.4500
            9   O2x O    18.2673  -15.7500
            10  O5x O    20.4597  -18.8301
            11  C1y C    20.6921  -17.1500
            12  C1x C    21.9046  -16.4500
            13  C5x C    21.9046  -15.0500
            14  C2x C    20.6921  -14.3500
            15  C2y C    19.4797  -15.0500
            16  S2a S    18.2673  -14.3500
            17  C1a C    18.2673  -12.9500
            18  C1a C    21.9046  -17.8500
            19  O5x O    23.1211  -14.3476
            20  O2a O    15.8424  -19.9498
            21  O2a O    13.4176  -15.7500
            22  X   Cl   15.8424  -14.3502
            23  C1a C    12.2221  -16.4404
            24  C1a C    17.0548  -20.6498
BOND        26
            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 1
            10    5   9 1
            11    7  10 2
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 2
            17    8  15 1
            18   15  16 1
            19   16  17 1
            20   11  18 1
            21   13  19 2
            22    3  20 1
            23    1  21 1
            24    6  22 1
            25   21  23 1
            26   20  24 1


entry: C15301
name: --- - 2alpha-Methylpregn-4-ene-3,11,20-trione - 2alpha-Methyl-11-oxoprogesterone
formula: C22H30O3
kcf:
ATOM        25
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C5x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1y C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1y C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5x O    24.3453  -18.1167
            24  O5a O    27.6886  -16.1857
            25  C1a C    21.0439  -20.0264
BOND        28
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26    6  23 2
            27   18  24 2
            28   17  25 1 #Down


entry: C15302
formula: C24H34O6
name:
--- 
- 11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
- 17-Hydroxy-2alpha-methylcorticosterone 21-acetate
- 2alpha-Methylcortisol acetate

kcf:
ATOM        30
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1y C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1z C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1y C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1b C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5a O    27.6886  -16.1857
            24  O7a O    31.2426  -17.0098
            25  C7a C    32.4431  -16.3289
            26  C1a C    33.6173  -17.0189
            27  O7a O    32.3845  -14.9107
            28  O1a O    24.3453  -18.1167
            29  O1a O    30.2712  -17.9384
            30  C1a C    21.0439  -20.0264
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
            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    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 2
            26   18  23 2
            27   20  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31    6  28 1 #Up
            32   14  29 1 #Down
            33   17  30 1 #Down


entry: C15303
name: --- - (Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one
formula: C21H28O3
kcf:
ATOM        24
            1   C1y C    27.6698  -21.4547
            2   C1y C    26.4893  -20.7844
            3   C1y C    28.8382  -20.7721
            4   C1x C    27.6452  -22.7951
            5   C1z C    25.3334  -21.4670
            6   C1y C    26.4831  -19.4316
            7   C1z C    28.8382  -19.4194
            8   C1x C    31.1871  -20.7783
            9   C1x C    26.5017  -23.4714
            10  C2y C    25.3334  -22.8074
            11  C2x C    24.1713  -20.8030
            12  C1a C    25.3148  -19.9113
            13  C1x C    27.6575  -18.7493
            14  C2y C    30.0248  -18.7430
            15  C1x C    31.1931  -19.4256
            16  C2x C    24.1713  -23.4838
            17  C2x C    23.0276  -21.4670
            18  C2b C    30.0248  -17.4149
            19  C5x C    23.0276  -22.8074
            20  C1a C    28.8382  -18.2376
            21  O5x O    21.7379  -23.5433
            22  O1a O    25.1988  -18.6965
            23  C1b C    28.7266  -16.6589
            24  O1a O    27.4767  -17.3746
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
            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    8  15 1
            15   10  16 2
            16   11  17 2
            17   14  18 2
            18   16  19 1
            19    7  13 1
            20    9  10 1
            21   14  15 1
            22   17  19 1
            23    7  20 1 #Up
            24   19  21 2
            25    6  22 1 #Up
            26   18  23 1
            27   23  24 1


