@<TRIPOS>MOLECULE
BindingDB_50163110
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        26.7323   43.2346   14.1826  S     
2    N        26.5568   44.1112   12.7408  N     
3    C        27.3380   44.0664   15.5932  C     
4    C        28.1153   43.9852   17.9233  C     
5    N        29.1864   43.9188   20.1681  N     
6    C        27.6079   43.3407   16.7719  C     
7    C        28.3205   45.3909   17.9075  C     
8    O        25.3386   42.5754   14.5617  O     
9    O        27.6032   41.9290   13.9190  O     
10   C        28.4160   43.1862   19.1362  C     
11   C        27.5751   45.4560   15.5751  C     
12   S        26.3182   45.9613   10.2039  S     
13   C        28.8432   46.1121   19.0984  C     
14   C        28.0607   46.1102   16.7187  C     
15   C        27.7629   44.4481   12.0187  C     
16   C        25.3687   44.9234   12.5938  C     
17   C        28.7279   45.3050   20.4246  C     
18   F        29.3814   45.2388   22.7514  F     
19   C        27.5336   44.6597   10.5043  C     
20   C        24.9769   45.1713   11.1206  C     
21   C        29.5293   45.9472   21.5839  C     
22   H        29.1409   43.3603   21.0191  H     
23   H        30.1629   43.9555   19.8599  H     
24   H        27.4445   42.3282   16.7917  H     
25   H        27.4745   42.8430   19.5698  H     
26   H        29.0024   42.3066   18.8559  H     
27   H        27.3905   46.0040   14.7361  H     
28   H        29.8933   46.3427   18.9005  H     
29   H        28.3130   47.0557   19.2199  H     
30   H        28.2252   47.1199   16.6788  H     
31   H        28.1930   45.3603   12.4400  H     
32   H        28.5124   43.6601   12.1183  H     
33   H        24.5043   44.4484   13.0666  H     
34   H        25.5212   45.8847   13.0924  H     
35   H        27.6716   45.2659   20.7258  H     
36   H        27.1934   43.7308   10.0390  H     
37   H        28.4734   44.9519   10.0296  H     
38   H        24.1026   45.8267   11.0821  H     
39   H        24.7115   44.2233   10.6454  H     
40   H        30.5925   45.9868   21.3385  H     
41   H        29.1755   46.9615   21.7613  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    8 2
     4    1    9 2
     5    2   15 1
     6    2   16 1
     7    3    6 1
     8    3   11 2
     9    4    6 2
    10    4    7 1
    11    4   10 1
    12    5   10 1
    13    5   17 1
    14    7   13 1
    15    7   14 2
    16   11   14 1
    17   12   19 1
    18   12   20 1
    19   13   17 1
    20   15   19 1
    21   16   20 1
    22   17   21 1
    23   18   21 1
    24    5   22 1
    25    5   23 1
    26    6   24 1
    27   10   25 1
    28   10   26 1
    29   11   27 1
    30   13   28 1
    31   13   29 1
    32   14   30 1
    33   15   31 1
    34   15   32 1
    35   16   33 1
    36   16   34 1
    37   17   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8831
  Crash		| -1.1472
  Polar		| 2.4017
  FragIndex	| 1
  FragRMSD	| 0.100