@<TRIPOS>MOLECULE
BindingDB_11932
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.0335    8.6522   13.3497  C     
2    C        -2.4527    9.9682   13.1091  C     
3    C        -1.9163   10.9413   13.9731  C     
4    C        -1.0326   10.4296   14.9274  C     
5    S        -0.9487    8.7203   14.6870  S     
6    C        -2.3536    7.4556   12.5418  C     
7    C        -2.2022    4.2409   14.5415  C     
8    C        -2.0206    5.7773   14.3617  C     
9    N        -2.8340    6.3300   13.3078  N     
10   S        -4.4728    5.8989   13.2415  S     
11   O        -5.3940    7.0753   13.7974  O     
12   O        -4.9504    5.4072   11.7961  O     
13   O        -1.8084    3.5667   13.3430  O     
14   C        -3.5980    3.8543   14.8413  C     
15   C        -4.6915    4.5430   14.2886  C     
16   C        -3.9794    2.7886   15.6847  C     
17   C        -5.3620    2.6015   15.8171  C     
18   S        -6.1355    3.7943   14.8487  S     
19   O        -6.2458    0.0192   15.9753  O     
20   O        -5.0933    1.0840   17.9903  O     
21   S        -6.1031    1.3821   16.7971  S     
22   N        -7.5777    1.7684   17.5107  N     
23   H        -3.0936   10.2119   12.3548  H     
24   H        -2.1433   11.9412   13.8988  H     
25   H        -0.5297   10.9759   15.6317  H     
26   H        -3.0949    7.7186   11.7782  H     
27   H        -1.4494    7.1724   11.9956  H     
28   H        -1.5447    3.9110   15.3482  H     
29   H        -2.2799    6.2841   15.2905  H     
30   H        -0.9578    5.9534   14.1730  H     
31   H        -1.7709    2.6151   13.5899  H     
32   H        -3.3040    2.1872   16.1630  H     
33   H        -7.8154    1.3253   18.3361  H     
34   H        -8.2739    2.1913   16.9837  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    6    9 1
     8    7    8 1
     9    7   13 1
    10    7   14 1
    11    8    9 1
    12    9   10 1
    13   10   11 2
    14   10   12 2
    15   10   15 1
    16   14   15 2
    17   14   16 1
    18   15   18 1
    19   16   17 2
    20   17   18 1
    21   17   21 1
    22   19   21 2
    23   20   21 2
    24   21   22 am
    25    2   23 1
    26    3   24 1
    27    4   25 1
    28    6   26 1
    29    6   27 1
    30    7   28 1
    31    8   29 1
    32    8   30 1
    33   13   31 1
    34   16   32 1
    35   22   33 1
    36   22   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5028
  Crash		| -1.9301
  Polar		| 3.8277
  FragIndex	| 1
  FragRMSD	| 1.473