@<TRIPOS>MOLECULE
BindingDB_8049
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.3218   46.1233    1.5196  C     
2    C         6.4759   48.1020    1.2908  C     
3    C         5.3065   48.6689    1.8548  C     
4    N         6.4507   46.7501    1.1328  N     
5    C         5.0825   44.6793    1.4884  C     
6    C         7.6962   48.8218    0.8647  C     
7    S         4.2521   47.3228    2.1072  S     
8    C         4.9034   49.9893    2.2071  C     
9    C         5.7374   51.1344    2.1401  C     
10   C         5.2075   52.3797    2.5216  C     
11   C         3.1015   51.3688    2.9985  C     
12   N         3.6313   50.1661    2.6397  N     
13   N         3.9172   52.4594    2.9396  N     
14   N         1.8172   51.5639    3.3925  N     
15   C         0.7496   50.7020    3.4743  C     
16   C        -1.5383   50.3344    4.3223  C     
17   C        -0.4025   51.1546    4.1672  C     
18   C         0.6974   49.4004    2.9113  C     
19   C        -0.4357   48.5747    3.0717  C     
20   C        -1.5782   49.0271    3.7864  C     
21   C        -2.7963   48.1926    3.9836  C     
22   F        -2.7207   46.9287    3.4501  F     
23   F        -3.0444   48.0134    5.3320  F     
24   F        -3.8919   48.8100    3.4141  F     
25   H         5.1827   44.3029    0.4672  H     
26   H         4.0731   44.4618    1.8517  H     
27   H         5.8081   44.1737    2.1287  H     
28   H         7.4370   49.5725    0.1092  H     
29   H         8.4339   48.1405    0.4281  H     
30   H         8.1516   49.3025    1.7292  H     
31   H         6.7079   51.0930    1.8364  H     
32   H         5.7954   53.2206    2.4873  H     
33   H         1.6053   52.4769    3.6372  H     
34   H        -2.3462   50.7156    4.8268  H     
35   H        -0.4052   52.0909    4.5844  H     
36   H         1.4796   49.0288    2.3613  H     
37   H        -0.4206   47.6336    2.6534  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    3    7 1
     8    3    8 1
     9    8    9 1
    10    8   12 2
    11    9   10 2
    12   10   13 1
    13   11   12 1
    14   11   13 2
    15   11   14 1
    16   14   15 1
    17   15   17 1
    18   15   18 2
    19   16   17 2
    20   16   20 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24   21   22 1
    25   21   23 1
    26   21   24 1
    27    5   25 1
    28    5   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    6   30 1
    33    9   31 1
    34   10   32 1
    35   14   33 1
    36   16   34 1
    37   17   35 1
    38   18   36 1
    39   19   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9357
  Crash		| -0.7675
  Polar		| 3.1629
  FragIndex	| 1
  FragRMSD	| 0.127