@<TRIPOS>MOLECULE
BindingDB_11930
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.0669    8.3259   13.6711  C     
2    C         0.1342    9.6971   13.9943  C     
3    C        -0.9549   10.3094   14.6346  C     
4    C        -2.0954    9.5624   14.9607  C     
5    C        -2.1798    8.1851   14.6417  C     
6    C        -1.0742    7.5746   14.0063  C     
7    C        -3.3925    7.3945   14.9754  C     
8    N        -4.1724    7.1304   13.8139  N     
9    S        -4.3135    5.6165   13.0804  S     
10   O        -5.6334    5.6472   12.1903  O     
11   O        -3.1022    5.3292   12.0906  O     
12   C        -4.5429    4.3127   14.1997  C     
13   C        -5.3833    2.5405   15.8530  C     
14   C        -4.0122    2.4861   15.5949  C     
15   C        -3.5468    3.4564   14.6896  C     
16   S        -6.0303    3.8360   14.9251  S     
17   N        -7.6622    2.2182   17.4968  N     
18   S        -6.2437    1.5181   16.9552  S     
19   O        -6.5949    0.1521   16.2298  O     
20   O        -5.2831    1.2062   18.1780  O     
21   O         1.2213   10.4549   13.6496  O     
22   C         2.3115   10.3641   14.5878  C     
23   H         0.8518    7.8706   13.1946  H     
24   H        -0.9168   11.3045   14.8682  H     
25   H        -2.8685   10.0304   15.4327  H     
26   H        -1.0952    6.5761   13.7802  H     
27   H        -3.0950    6.4759   15.4808  H     
28   H        -4.0316    7.9395   15.6689  H     
29   H        -4.6088    7.8825   13.3848  H     
30   H        -3.3981    1.8111   16.0482  H     
31   H        -2.5625    3.5321   14.4262  H     
32   H        -8.2757    1.6833   18.0196  H     
33   H        -7.9632    3.0590   17.1165  H     
34   H         1.9929   10.5857   15.6100  H     
35   H         3.0663   11.0993   14.3152  H     
36   H         2.7723    9.3709   14.5594  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   21 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    5    7 1
     9    7    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 2
    13    9   12 1
    14   12   15 2
    15   12   16 1
    16   13   14 2
    17   13   16 1
    18   13   18 1
    19   14   15 1
    20   17   18 am
    21   18   19 2
    22   18   20 2
    23   21   22 1
    24    1   23 1
    25    3   24 1
    26    4   25 1
    27    6   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   17   33 1
    35   22   34 1
    36   22   35 1
    37   22   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0777
  Crash		| -1.2791
  Polar		| 3.9464
  FragIndex	| 1
  FragRMSD	| 1.107