@<TRIPOS>MOLECULE
BindingDB_10860
 23 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.5041    2.4639   15.9388  C     
2    C        -4.1436    2.5081   15.5616  C     
3    C        -3.6376    3.6204   14.8683  C     
4    C        -4.4796    4.7017   14.5282  C     
5    C        -5.8316    4.6647   14.9373  C     
6    C        -6.3434    3.5516   15.6321  C     
7    O        -5.8988   -0.1686   15.8928  O     
8    O        -5.2238    0.8845   18.1376  O     
9    S        -6.1042    1.0933   16.8319  S     
10   N        -7.7436    1.0727   17.2119  N     
11   C        -3.9558    5.8655   13.7726  C     
12   N        -2.9876    6.6213   14.5723  N     
13   H        -3.5173    1.7293   15.7902  H     
14   H        -2.6437    3.6315   14.6068  H     
15   H        -6.4552    5.4478   14.7352  H     
16   H        -7.3243    3.5524   15.9097  H     
17   H        -8.1776    0.2157   17.3575  H     
18   H        -8.2908    1.8631   17.0659  H     
19   H        -3.4803    5.5230   12.8512  H     
20   H        -4.7539    6.5538   13.4926  H     
21   H        -3.4448    6.9610   15.4236  H     
22   H        -2.6399    7.4137   14.0266  H     
23   H        -2.2046    6.0109   14.8309  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    2   13 1
    14    3   14 1
    15    5   15 1
    16    6   16 1
    17   10   17 1
    18   10   18 1
    19   11   19 1
    20   11   20 1
    21   12   21 1
    22   12   22 1
    23   12   23 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4086
  Crash		| -0.6911
  Polar		| 2.3967
  FragIndex	| 1
  FragRMSD	| 1.179