@<TRIPOS>MOLECULE
BindingDB_11392
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2773    4.1097   14.2842  C     
2    N        -4.1081    6.4671   14.2649  N     
3    S        -5.5446    6.1375   15.1033  S     
4    O        -6.8471    6.3919   14.2307  O     
5    O        -5.6232    6.9031   16.4924  O     
6    C        -4.3988    3.6328   15.1413  C     
7    C        -5.4602    4.4657   15.5141  C     
8    C        -4.4886    2.3452   15.7210  C     
9    C        -5.6319    2.1295   16.4959  C     
10   S        -6.5417    3.5842   16.5122  S     
11   N        -7.6546    0.5756   17.8748  N     
12   S        -6.0757    0.6834   17.3327  S     
13   O        -5.9089   -0.5390   16.3296  O     
14   O        -5.1000    0.3554   18.5405  O     
15   N        -2.8337    3.0449   13.3703  N     
16   C        -3.6066    5.3900   13.4451  C     
17   C        -3.7868    7.8502   14.0080  C     
18   C        -2.2857    8.1765   13.7880  C     
19   C        -1.3174    7.6898   14.9048  C     
20   C        -1.8620    9.5033   16.4163  C     
21   O        -0.8363    8.7614   15.7361  O     
22   H        -2.4364    4.3471   14.9422  H     
23   H        -3.7784    1.6235   15.5762  H     
24   H        -8.2603   -0.0623   17.4613  H     
25   H        -7.9001    0.9841   18.7226  H     
26   H        -2.5145    2.2483   13.9216  H     
27   H        -2.0539    3.3896   12.8027  H     
28   H        -3.5986    2.7504   12.7585  H     
29   H        -2.7009    5.6884   12.9046  H     
30   H        -4.3607    5.1485   12.6851  H     
31   H        -4.3467    8.1678   13.1213  H     
32   H        -4.1155    8.4753   14.8437  H     
33   H        -1.9731    7.7520   12.8296  H     
34   H        -2.2097    9.2636   13.6899  H     
35   H        -1.7677    6.9059   15.5212  H     
36   H        -0.4411    7.2550   14.4274  H     
37   H        -2.4753   10.0621   15.7057  H     
38   H        -1.3782   10.2117   17.0918  H     
39   H        -2.5016    8.8457   17.0117  H     
@<TRIPOS>BOND
     1    1    6 1
     2    1   15 1
     3    1   16 1
     4    2    3 1
     5    2   16 1
     6    2   17 1
     7    3    4 2
     8    3    5 2
     9    3    7 1
    10    6    7 2
    11    6    8 1
    12    7   10 1
    13    8    9 2
    14    9   10 1
    15    9   12 1
    16   11   12 am
    17   12   13 2
    18   12   14 2
    19   17   18 1
    20   18   19 1
    21   19   21 1
    22   20   21 1
    23    1   22 1
    24    8   23 1
    25   11   24 1
    26   11   25 1
    27   15   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   20   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7458
  Crash		| -2.2690
  Polar		| 2.8447
  FragIndex	| 1
  FragRMSD	| 1.032