ZINC3833824 (Aldosterone).mol2

<TRIPOS>MOLECULE
ZINC000003833824
54    57    1     0     0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1      C1      0.6406    1.9492    0.0564 C.3      1 ZINC000003833824   -0.1400
2      C2      0.6314    0.4234    0.1687 C.3      1 ZINC000003833824   -0.0200
3      C3     -0.7967   -0.0196    0.4332 C.3      1 ZINC000003833824   -0.1000
4      C4     -1.1801    0.1625    1.9014 C.3      1 ZINC000003833824   -0.1700
5      C5     -0.1979   -0.6422    2.7299 C.2      1 ZINC000003833824    0.3900
6      O6     -0.5695   -1.4062    3.5961 O.2      1 ZINC000003833824   -0.4600
7      C7      1.2249   -0.4497    2.4295 C.2      1 ZINC000003833824   -0.2500
8      C8      1.6001    0.0316    1.2417 C.2      1 ZINC000003833824   -0.0200
9      C9      3.0834    0.2470    1.0022 C.3      1 ZINC000003833824   -0.1000
10     C10     3.4589   -0.3734   -0.3453 C.3      1 ZINC000003833824   -0.1100
11     C11     2.5645    0.2177   -1.4388 C.3      1 ZINC000003833824   -0.1000
12     H12     2.6422    1.3049   -1.4363 H        1 ZINC000003833824    0.1100
13     C13     2.9809   -0.3290   -2.7922 C.3      1 ZINC000003833824   -0.0600
14     H14     2.8491   -1.4107   -2.8204 H        1 ZINC000003833824    0.0800
15     C15     4.3912    0.0487   -3.2586 C.3      1 ZINC000003833824   -0.1200
16     C16     4.3027   -0.1144   -4.8006 C.3      1 ZINC000003833824   -0.1200
17     C17     2.8065    0.0393   -5.1710 C.3      1 ZINC000003833824   -0.1200
18     H18     2.4217   -0.8935   -5.5831 H        1 ZINC000003833824    0.1100
19     C19     2.6264    1.1605   -6.1617 C.2      1 ZINC000003833824    0.3400
20     O20     3.4422    2.0488   -6.2232 O.2      1 ZINC000003833824   -0.4100
21     C21     1.4281    1.1733   -7.0756 C.3      1 ZINC000003833824    0.0300
22     O22     1.4819    2.3282   -7.9154 O.3      1 ZINC000003833824   -0.5500
23     C23     2.0840    0.3544   -3.8591 C.3      1 ZINC000003833824   -0.1200
24     C24     2.0861    1.8421   -3.6191 C.2      1 ZINC000003833824    0.3700
25     O25     2.9943    2.3542   -3.0098 O.2      1 ZINC000003833824   -0.4400
26     C26     0.6763   -0.1918   -3.7148 C.3      1 ZINC000003833824   -0.1300
27     C27     0.1613    0.2414   -2.3332 C.3      1 ZINC000003833824    0.1100
28     H28    -0.8384   -0.1661   -2.1828 H        1 ZINC000003833824    0.0700
29     O29     0.0945    1.6681   -2.2871 O.3      1 ZINC000003833824   -0.5500
30     C30     1.0824   -0.1522   -1.1792 C.3      1 ZINC000003833824   -0.0600
31     H31     1.1040   -1.2389   -1.0972 H        1 ZINC000003833824    0.0700
32     H32     1.5527    2.2711   -0.4462 H        1 ZINC000003833824    0.0600
33     H33    -0.2258    2.2765   -0.5184 H        1 ZINC000003833824    0.0900
34     H34     0.6014    2.3872    1.0538 H        1 ZINC000003833824    0.0400
35     H35    -1.4725    0.5696   -0.1866 H        1 ZINC000003833824    0.0800
36     H36    -0.8979   -1.0717    0.1670 H        1 ZINC000003833824    0.0600
37     H37    -1.1173    1.2163    2.1728 H        1 ZINC000003833824    0.1000
38     H38    -2.1929   -0.2042    2.0681 H        1 ZINC000003833824    0.0900
39     H39     1.9717   -0.7110    3.1646 H        1 ZINC000003833824    0.1300
40     H40     3.2997    1.3152    0.9858 H        1 ZINC000003833824    0.0900
41     H41     3.6553   -0.2318    1.7971 H        1 ZINC000003833824    0.0800
42     H42     4.5025   -0.1526   -0.5697 H        1 ZINC000003833824    0.0700
43     H43     3.3156   -1.4530   -0.3018 H        1 ZINC000003833824    0.0600
44     H44     4.6221    1.0802   -2.9925 H        1 ZINC000003833824    0.0900
45     H45     5.1313   -0.6336   -2.8404 H        1 ZINC000003833824    0.0700
46     H46     4.8915    0.6595   -5.2930 H        1 ZINC000003833824    0.0800
47     H47     4.6612   -1.1012   -5.0936 H        1 ZINC000003833824    0.0700
48     H48     1.4322    0.2748   -7.6926 H        1 ZINC000003833824    0.0800
49     H49     0.5164    1.2001   -6.4789 H        1 ZINC000003833824    0.0800
50     H50     0.7400    2.4016   -8.5312 H        1 ZINC000003833824    0.3900
51     H51     1.2754    2.4504   -3.9921 H        1 ZINC000003833824    0.0900
52     H52     0.0365    0.2198   -4.4954 H        1 ZINC000003833824    0.0800
53     H53     0.6915   -1.2797   -3.7811 H        1 ZINC000003833824    0.0900
54     H54    -0.4935    2.0559   -2.9497 H        1 ZINC000003833824    0.3700
@<TRIPOS>BOND
1     1     2     1
2     1     32    1
3     1     33    1
4     1     34    1
5     2     8     1
6     2     30    1
7     2     3     1
8     3     4     1
9     3     35    1
10    3     36    1
11    4     5     1
12    4     37    1
13    4     38    1
14    5     6     2
15    5     7     1
16    7     8     2
17    7     39    1
18    8     9     1
19    9     10    1
20    9     40    1
21    9     41    1
22    10    11    1
23    10    42    1
24    10    43    1
25    11    12    1
26    11    30    1
27    11    13    1
28    13    14    1
29    13    23    1
30    13    15    1
31    15    16    1
32    15    44    1
33    15    45    1
34    16    17    1
35    16    46    1
36    16    47    1
37    17    18    1
38    17    19    1
39    17    23    1
40    19    20    2
41    19    21    1
42    21    22    1
43    21    48    1
44    21    49    1
45    22    50    1
46    23    24    1
47    23    26    1
48    24    25    2
49    24    51    1
50    26    27    1
51    26    52    1
52    26    53    1
53    27    28    1
54    27    29    1
55    27    30    1
56    29    54    1
57    30    31    1
@<TRIPOS>SUBSTRUCTURE
1   ZINC000003833824 1     RESIDUE    1   A     ZIN   1