@<TRIPOS>MOLECULE
BindingDB_50151332
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        26.6044   43.3615   14.0899  S     
2    C        27.3585   44.1151   15.4591  C     
3    C        27.0998   45.1706    8.9734  C     
4    C        28.1701   43.9653   17.7684  C     
5    N        28.6801   43.9875   20.1989  N     
6    C        28.6343   45.3083   17.6873  C     
7    C        27.5630   43.3717   16.6404  C     
8    O        27.0074   41.8227   13.9637  O     
9    O        25.0339   43.3900   14.3772  O     
10   N        26.8522   44.1427   12.6210  N     
11   C        28.3222   43.1789   19.0175  C     
12   C        29.3250   45.9619   18.8207  C     
13   C        27.7753   45.4578   15.3963  C     
14   C        28.4108   46.0484   16.5097  C     
15   F        27.3386   45.2188    7.6183  F     
16   F        26.6742   43.8985    9.2878  F     
17   F        26.0762   46.0544    9.2394  F     
18   C        29.7617   44.9788   19.9483  C     
19   F        29.2820   46.6658   21.6374  F     
20   C        28.3890   45.5614    9.7448  C     
21   C        30.1786   45.6995   21.2508  C     
22   C        28.1413   44.2852   12.0345  C     
23   C        28.2632   45.6476   11.2872  C     
24   H        27.8555   44.4917   20.5172  H     
25   H        28.9782   43.3466   20.9327  H     
26   H        27.2484   42.3952   16.6840  H     
27   H        26.0711   44.4190   12.0970  H     
28   H        27.3817   42.6701   19.2511  H     
29   H        29.0853   42.4131   18.8518  H     
30   H        30.2246   46.4606   18.4500  H     
31   H        28.6542   46.7192   19.2273  H     
32   H        27.6133   46.0208   14.5563  H     
33   H        28.7043   47.0228   16.4482  H     
34   H        30.6456   44.4207   19.6002  H     
35   H        29.1931   44.8564    9.4986  H     
36   H        28.6886   46.5468    9.3850  H     
37   H        30.2607   44.9626   22.0564  H     
38   H        31.1483   46.1712   21.1095  H     
39   H        28.9075   44.2388   12.8119  H     
40   H        28.3021   43.4552   11.3495  H     
41   H        29.1731   46.1508   11.6470  H     
42   H        27.4233   46.2980   11.5346  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    8 2
     3    1    9 2
     4    1   10 1
     5    2    7 1
     6    2   13 2
     7    3   15 1
     8    3   16 1
     9    3   17 1
    10    3   20 1
    11    4    6 1
    12    4    7 2
    13    4   11 1
    14    5   11 1
    15    5   18 1
    16    6   12 1
    17    6   14 2
    18   10   22 1
    19   12   18 1
    20   13   14 1
    21   18   21 1
    22   19   21 1
    23   20   23 1
    24   22   23 1
    25    5   24 1
    26    5   25 1
    27    7   26 1
    28   10   27 1
    29   11   28 1
    30   11   29 1
    31   12   30 1
    32   12   31 1
    33   13   32 1
    34   14   33 1
    35   18   34 1
    36   20   35 1
    37   20   36 1
    38   21   37 1
    39   21   38 1
    40   22   39 1
    41   22   40 1
    42   23   41 1
    43   23   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9886
  Crash		| -2.7771
  Polar		| 2.4331
  FragIndex	| 1
  FragRMSD	| 0.553