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


@<TRIPOS>ATOM
1    C        -1.5978    9.6474   13.1659  C     
2    C        -1.4207   10.1560   14.4745  C     
3    C        -1.2688    9.2429   15.5456  C     
4    C        -1.3476    7.8534   15.3283  C     
5    C        -1.5699    7.3528   14.0197  C     
6    C        -1.6772    8.2618   12.9361  C     
7    C        -1.6706    5.8859   13.7954  C     
8    N        -2.8429    5.5438   13.0510  N     
9    S        -4.3803    5.4354   13.7390  S     
10   O        -4.7732    6.8086   14.4413  O     
11   O        -5.4516    5.3281   12.5686  O     
12   C        -4.6761    4.0836   14.7854  C     
13   C        -5.7187    2.3284   16.3235  C     
14   C        -4.3310    2.2294   16.1969  C     
15   C        -3.7558    3.1771   15.3357  C     
16   S        -6.2329    3.6672   15.3790  S     
17   N        -6.1818    0.9596   18.8050  N     
18   S        -6.7578    1.3413   17.2896  S     
19   O        -8.2577    1.8617   17.3676  O     
20   O        -6.8743   -0.0725   16.5612  O     
21   O        -1.3463   11.5075   14.7091  O     
22   C        -2.6178   12.1734   14.5927  C     
23   H        -1.6691   10.2916   12.3794  H     
24   H        -1.1074    9.6016   16.4960  H     
25   H        -1.2304    7.1934   16.1187  H     
26   H        -1.8067    7.9157   11.9761  H     
27   H        -0.8230    5.4984   13.2257  H     
28   H        -1.6464    5.3815   14.7621  H     
29   H        -2.7573    5.4055   12.0933  H     
30   H        -3.7757    1.5257   16.6872  H     
31   H        -2.7590    3.2007   15.1245  H     
32   H        -5.8840    0.0548   18.9980  H     
33   H        -6.2502    1.6122   19.5245  H     
34   H        -3.0269   12.0743   13.5845  H     
35   H        -2.4576   13.2293   14.7937  H     
36   H        -3.3393   11.7887   15.3186  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	| 6.4735
  Crash		| -1.6192
  Polar		| 3.1819
  FragIndex	| 1
  FragRMSD	| 0.863