@<TRIPOS>MOLECULE
BindingDB_50180103
 38 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        22.9794   88.7711    0.8890  S     
2    C        23.8851   90.3095    1.2466  C     
3    C        24.3430   90.1374    2.6186  C     
4    C        23.9219   89.0238    3.2607  C     
5    C        23.1769   88.2319    2.4787  C     
6    O        22.6259   87.0806    2.8370  O     
7    C        25.0834   90.5027    0.2348  C     
8    C        22.9013   91.5234    1.1623  C     
9    O        25.0792   90.9604    3.1525  O     
10   C        24.2347   88.7371    4.6569  C     
11   C        24.7575   90.3093   -1.2847  C     
12   C        25.4684   91.2731   -2.2893  C     
13   C        26.9550   91.6487   -2.0034  C     
14   C        27.9048   90.4356   -1.7699  C     
15   C        29.1161   90.7680   -0.8395  C     
16   C        30.4092   91.1417   -1.6110  C     
17   H        22.0088   87.3097    3.5629  H     
18   H        25.4831   91.5212    0.3908  H     
19   H        25.8820   89.7982    0.5029  H     
20   H        22.5006   91.6268    0.1457  H     
21   H        23.4169   92.4538    1.4208  H     
22   H        22.0584   91.3853    1.8462  H     
23   H        25.3224   88.6697    4.7885  H     
24   H        23.7961   87.7966    5.0076  H     
25   H        23.8488   89.5472    5.2808  H     
26   H        25.0318   89.2827   -1.5393  H     
27   H        23.6792   90.3906   -1.4608  H     
28   H        25.4054   90.8214   -3.2839  H     
29   H        24.8881   92.2077   -2.3238  H     
30   H        27.3207   92.2329   -2.8522  H     
31   H        26.9749   92.3181   -1.1395  H     
32   H        27.3526   89.6101   -1.3150  H     
33   H        28.2756   90.0853   -2.7444  H     
34   H        28.8563   91.5781   -0.1530  H     
35   H        29.3298   89.8884   -0.2400  H     
36   H        30.7856   90.2597   -2.1411  H     
37   H        31.1590   91.4786   -0.8888  H     
38   H        30.2111   91.9468   -2.3330  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    2    3 1
     4    2    7 1
     5    2    8 1
     6    3    4 1
     7    3    9 2
     8    4    5 2
     9    4   10 1
    10    5    6 1
    11    7   11 1
    12   11   12 1
    13   12   13 1
    14   13   14 1
    15   14   15 1
    16   15   16 1
    17    6   17 1
    18    7   18 1
    19    7   19 1
    20    8   20 1
    21    8   21 1
    22    8   22 1
    23   10   23 1
    24   10   24 1
    25   10   25 1
    26   11   26 1
    27   11   27 1
    28   12   28 1
    29   12   29 1
    30   13   30 1
    31   13   31 1
    32   14   32 1
    33   14   33 1
    34   15   34 1
    35   15   35 1
    36   16   36 1
    37   16   37 1
    38   16   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8308
  Crash		| -1.6689
  Polar		| 0.7600
  FragIndex	| 1
  FragRMSD	| 0.751