@<TRIPOS>MOLECULE
BindingDB_10877
 24 24 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.4818    2.4278   15.9205  C     
2    C        -4.1149    2.4765   15.5797  C     
3    C        -3.5969    3.5746   14.8670  C     
4    C        -4.4369    4.6409   14.4836  C     
5    C        -5.8121    4.5779   14.8134  C     
6    C        -6.3346    3.4832   15.5281  C     
7    O        -5.8851   -0.2134   15.9269  O     
8    O        -5.1876    0.8828   18.1590  O     
9    S        -6.0701    1.0683   16.8452  S     
10   N        -7.7021    1.0960   17.2369  N     
11   C        -3.8799    5.8228   13.7658  C     
12   C        -2.9409    6.6719   14.6547  C     
13   O        -2.6542    7.9188   14.0268  O     
14   H        -3.4827    1.7191   15.8530  H     
15   H        -2.5984    3.5909   14.6406  H     
16   H        -6.4449    5.3389   14.5485  H     
17   H        -7.3287    3.4596   15.7704  H     
18   H        -8.1412    0.2659   17.5142  H     
19   H        -8.2488    1.8738   17.0347  H     
20   H        -3.3287    5.4841   12.8829  H     
21   H        -4.6846    6.4730   13.4082  H     
22   H        -3.4147    6.8776   15.6203  H     
23   H        -1.9964    6.1499   14.8257  H     
24   H        -2.1015    8.4134   14.6693  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    9 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    9 2
    10    8    9 2
    11    9   10 am
    12   11   12 1
    13   12   13 1
    14    2   14 1
    15    3   15 1
    16    5   16 1
    17    6   17 1
    18   10   18 1
    19   10   19 1
    20   11   20 1
    21   11   21 1
    22   12   22 1
    23   12   23 1
    24   13   24 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0219
  Crash		| -0.7926
  Polar		| 2.3459
  FragIndex	| 1
  FragRMSD	| 1.141