@<TRIPOS>MOLECULE
BindingDB_50151338
 43 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        26.6135   43.3846   14.0356  S     
2    C        27.2605   44.1593   15.4445  C     
3    C        27.9579   44.0184   17.8056  C     
4    N        28.3467   44.0203   20.2741  N     
5    C        28.4212   45.3610   17.7528  C     
6    C        27.3981   43.4290   16.6437  C     
7    O        27.4126   42.0361   13.7271  O     
8    O        25.1617   42.8191   14.3816  O     
9    N        26.3986   44.2560   12.5976  N     
10   C        28.0552   43.2252   19.0610  C     
11   C        29.0658   45.9974   18.9367  C     
12   C        27.6666   45.5026   15.4235  C     
13   C        28.2504   46.0948   16.5572  C     
14   C        29.4259   45.0144   20.0958  C     
15   C        27.4854   44.7347   11.7987  C     
16   F        29.6113   44.9132   22.5149  F     
17   O        26.5300   46.4759   10.2370  O     
18   C        29.6889   45.7720   21.4312  C     
19   C        27.0674   45.1455   10.3643  C     
20   C        25.1371   46.7200   10.5546  C     
21   C        24.5368   47.5849    9.4151  C     
22   H        27.5031   44.5222   20.5508  H     
23   H        28.6134   43.3828   21.0260  H     
24   H        27.0836   42.4535   16.6844  H     
25   H        25.5433   44.6887   12.4796  H     
26   H        27.1030   42.7199   19.2447  H     
27   H        28.8272   42.4601   18.9377  H     
28   H        29.9902   46.4985   18.6262  H     
29   H        28.3790   46.7681   19.3099  H     
30   H        27.5571   46.0598   14.5836  H     
31   H        28.5539   47.0642   16.5155  H     
32   H        30.3561   44.4823   19.8400  H     
33   H        27.9332   45.5950   12.3012  H     
34   H        28.2600   43.9544   11.7105  H     
35   H        30.6976   46.2197   21.4276  H     
36   H        28.9449   46.5593   21.5806  H     
37   H        27.9768   45.1530    9.7536  H     
38   H        26.3879   44.4094    9.9257  H     
39   H        24.5445   45.7871   10.6338  H     
40   H        25.0686   47.2783   11.4958  H     
41   H        25.1089   48.5170    9.3190  H     
42   H        23.4858   47.8348    9.6133  H     
43   H        24.5855   47.0411    8.4594  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 2
     3    1    8 2
     4    1    9 1
     5    2    6 1
     6    2   12 2
     7    3    5 1
     8    3    6 2
     9    3   10 1
    10    4   10 1
    11    4   14 1
    12    5   11 1
    13    5   13 2
    14    9   15 1
    15   11   14 1
    16   12   13 1
    17   14   18 1
    18   15   19 1
    19   16   18 1
    20   17   19 1
    21   17   20 1
    22   20   21 1
    23    4   22 1
    24    4   23 1
    25    6   24 1
    26    9   25 1
    27   10   26 1
    28   10   27 1
    29   11   28 1
    30   11   29 1
    31   12   30 1
    32   13   31 1
    33   14   32 1
    34   15   33 1
    35   15   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6412
  Crash		| -0.7745
  Polar		| 2.5543
  FragIndex	| 1
  FragRMSD	| 0.454