@<TRIPOS>MOLECULE
BindingDB_12013
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.0565    6.5761   15.3171  C     
2    C        -1.5002    7.5824   16.1300  C     
3    C        -0.3740    8.3003   15.6991  C     
4    C         0.1992    8.0076   14.4542  C     
5    C        -0.3578    7.0021   13.6381  C     
6    C        -1.4872    6.2569   14.0584  C     
7    C        -2.0573    5.2165   13.1571  C     
8    N        -2.7936    4.2075   13.8562  N     
9    C        -4.1106    4.1111   14.0069  C     
10   O        -4.8259    4.9634   13.4825  O     
11   C        -4.6864    3.1315   14.8343  C     
12   C        -3.9133    2.1025   15.4459  C     
13   C        -6.0775    3.1373   15.1218  C     
14   C        -6.6665    2.1603   15.9440  C     
15   C        -5.8865    1.1305   16.5027  C     
16   C        -4.5034    1.1219   16.2603  C     
17   S        -6.6081   -0.1040   17.4995  S     
18   O        -6.5269    0.4262   18.9952  O     
19   O        -8.1265   -0.3408   17.0937  O     
20   N        -5.7626   -1.5564   17.4172  N     
21   H        -2.8910    6.0882   15.6491  H     
22   H        -1.9282    7.8020   17.0329  H     
23   H         0.0266    9.0316   16.2898  H     
24   H         1.0172    8.5291   14.1313  H     
25   H         0.0688    6.8152   12.7267  H     
26   H        -2.6586    5.7013   12.3834  H     
27   H        -1.2457    4.6950   12.6464  H     
28   H        -2.2611    3.5721   14.3525  H     
29   H        -2.8999    2.0456   15.3035  H     
30   H        -6.6804    3.8659   14.7340  H     
31   H        -7.6700    2.2091   16.1232  H     
32   H        -3.9089    0.3966   16.6693  H     
33   H        -5.9340   -2.2613   18.0649  H     
34   H        -5.1571   -1.7230   16.6760  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 1
     9    8    9 am
    10    9   10 2
    11    9   11 1
    12   11   12 1
    13   11   13 2
    14   12   16 2
    15   13   14 1
    16   14   15 2
    17   15   16 1
    18   15   17 1
    19   17   18 2
    20   17   19 2
    21   17   20 am
    22    1   21 1
    23    2   22 1
    24    3   23 1
    25    4   24 1
    26    5   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7694
  Crash		| -0.6386
  Polar		| 0.0086
  FragIndex	| 1
  FragRMSD	| 0.489