@<TRIPOS>MOLECULE
BindingDB_50151331
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        26.7076   43.3272   14.1482  S     
2    C        27.3792   44.0834   15.5668  C     
3    N        26.9216   44.1133   12.6735  N     
4    C        28.2819   43.9155   17.8506  C     
5    N        29.4632   43.7577   20.0414  N     
6    C        28.4886   45.3206   17.8723  C     
7    O        27.0650   41.7853   14.0049  O     
8    O        25.1322   43.3593   14.3627  O     
9    C        27.7183   43.3130   16.7001  C     
10   C        28.6114   43.0811   19.0363  C     
11   C        29.1275   45.9944   19.0329  C     
12   C        27.5550   45.4782   15.6111  C     
13   C        28.1237   46.0886   16.7470  C     
14   C        29.0665   45.1549   20.3426  C     
15   C        28.1917   44.3726   12.0702  C     
16   F        29.5011   46.9536   21.8977  F     
17   C        29.9689   45.7368   21.4605  C     
18   C        28.1560   43.9108   10.5936  C     
19   C        28.4905   45.8894   12.1655  C     
20   H        26.1275   44.3769   12.1803  H     
21   H        29.4247   43.2062   20.9005  H     
22   H        30.4293   43.7609   19.7005  H     
23   H        27.5502   42.3012   16.6939  H     
24   H        27.6825   42.7702   19.5138  H     
25   H        29.1426   42.1852   18.7116  H     
26   H        30.1692   46.1895   18.7603  H     
27   H        28.6450   46.9559   19.2163  H     
28   H        27.2627   46.0662   14.8332  H     
29   H        28.2594   47.1019   16.7521  H     
30   H        28.0358   45.1472   20.7122  H     
31   H        28.9871   43.8190   12.5839  H     
32   H        29.9837   45.0560   22.3134  H     
33   H        30.9920   45.8647   21.1009  H     
34   H        27.9733   42.8394   10.5508  H     
35   H        29.1128   44.1162   10.1137  H     
36   H        27.3669   44.4270   10.0435  H     
37   H        27.6547   46.4712   11.7550  H     
38   H        29.3935   46.1409   11.5995  H     
39   H        28.6611   46.1744   13.1975  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    7 2
     4    1    8 2
     5    2    9 1
     6    2   12 2
     7    3   15 1
     8    4    6 1
     9    4    9 2
    10    4   10 1
    11    5   10 1
    12    5   14 1
    13    6   11 1
    14    6   13 2
    15   11   14 1
    16   12   13 1
    17   14   17 1
    18   15   18 1
    19   15   19 1
    20   16   17 1
    21    3   20 1
    22    5   21 1
    23    5   22 1
    24    9   23 1
    25   10   24 1
    26   10   25 1
    27   11   26 1
    28   11   27 1
    29   12   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   17   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   19   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4535
  Crash		| -3.0329
  Polar		| 2.6100
  FragIndex	| 1
  FragRMSD	| 0.165