@<TRIPOS>MOLECULE
BindingDB_10892
 43 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.2486    3.5705   14.9690  C     
2    C        -5.0337    2.4752   15.3877  C     
3    C        -6.3231    2.7002   15.9071  C     
4    C        -6.8058    4.0134   16.0366  C     
5    C        -6.0085    5.1079   15.6498  C     
6    C        -4.7366    4.8924   15.0970  C     
7    N        -3.7535    0.5280   13.7924  N     
8    S        -4.3837    0.8669   15.3177  S     
9    O        -3.2294    0.7513   16.3976  O     
10   O        -5.4678   -0.2548   15.6521  O     
11   N        -3.9880    5.9808   14.7877  N     
12   C        -3.3880    6.2872   13.6409  C     
13   O        -3.6024    5.5473   12.6747  O     
14   C        -2.6386    7.4474   13.4436  C     
15   C        -2.1813    7.8260   12.1527  C     
16   C        -2.2435    8.2947   14.5135  C     
17   C        -1.4328    9.4283   14.2975  C     
18   C        -0.9900    9.8153   13.0071  C     
19   C        -1.3837    8.9657   11.9438  C     
20   C        -0.0084   10.9635   12.7965  C     
21   C        -0.2722   12.1500   13.7910  C     
22   C         1.4236   10.3758   13.0372  C     
23   C        -0.0434   11.5760   11.3441  C     
24   H        -3.3024    3.4163   14.6079  H     
25   H        -6.9116    1.9230   16.2002  H     
26   H        -7.7470    4.1759   16.4186  H     
27   H        -6.3659    6.0606   15.7760  H     
28   H        -3.8781   -0.3467   13.4015  H     
29   H        -3.1349    1.1575   13.3918  H     
30   H        -3.8693    6.6088   15.5340  H     
31   H        -2.4088    7.2511   11.3348  H     
32   H        -2.5294    8.0804   15.4681  H     
33   H        -1.1413    9.9586   15.1221  H     
34   H        -1.0420    9.1293   10.9977  H     
35   H        -1.3382   12.4089   13.7798  H     
36   H         0.2895   13.0469   13.5198  H     
37   H         0.0035   11.9001   14.8208  H     
38   H         1.5157    9.9672   14.0468  H     
39   H         2.1876   11.1389   12.9013  H     
40   H         1.6243    9.5668   12.3299  H     
41   H         0.3480   10.8831   10.5996  H     
42   H         0.5650   12.4889   11.2624  H     
43   H        -1.0645   11.8350   11.0735  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2    8 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    6   11 1
     9    7    8 am
    10    8    9 2
    11    8   10 2
    12   11   12 am
    13   12   13 2
    14   12   14 1
    15   14   15 1
    16   14   16 2
    17   15   19 2
    18   16   17 1
    19   17   18 2
    20   18   19 1
    21   18   20 1
    22   20   21 1
    23   20   22 1
    24   20   23 1
    25    1   24 1
    26    3   25 1
    27    4   26 1
    28    5   27 1
    29    7   28 1
    30    7   29 1
    31   11   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   19   34 1
    36   21   35 1
    37   21   36 1
    38   21   37 1
    39   22   38 1
    40   22   39 1
    41   22   40 1
    42   23   41 1
    43   23   42 1
    44   23   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4449
  Crash		| -1.1191
  Polar		| 2.6070
  FragIndex	| 1
  FragRMSD	| 1.086