@<TRIPOS>MOLECULE
BindingDB_16660
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.4910    2.5086   15.9105  C     
2    C        -6.3432    3.5819   15.5867  C     
3    C        -5.8373    4.7029   14.9029  C     
4    C        -4.4777    4.7724   14.5300  C     
5    C        -3.6401    3.6769   14.8300  C     
6    C        -4.1347    2.5586   15.5229  C     
7    S        -6.0773    1.1242   16.7875  S     
8    O        -5.8849   -0.1224   15.8290  O     
9    O        -5.2155    0.8798   18.0969  O     
10   N        -7.7096    1.1339   17.1612  N     
11   C        -3.9403    5.9605   13.8118  C     
12   C        -2.7990    6.6676   14.5874  C     
13   N        -2.2975    7.7555   13.8234  N     
14   C        -1.1511   10.3428   14.1951  C     
15   C        -2.1746   10.8799   13.3872  C     
16   C        -2.3139   12.2753   13.2503  C     
17   C        -1.4331   13.1366   13.9287  C     
18   C        -0.4298   12.6076   14.7616  C     
19   C        -0.2942   11.2163   14.9018  C     
20   S        -0.9481    8.6207   14.3379  S     
21   O        -0.7154    8.3620   15.8942  O     
22   O         0.3287    8.1296   13.5352  O     
23   H        -7.3307    3.5643   15.8522  H     
24   H        -6.4768    5.4682   14.6756  H     
25   H        -2.6573    3.6825   14.5451  H     
26   H        -3.5010    1.7881   15.7483  H     
27   H        -8.1702    0.2943   17.3245  H     
28   H        -8.2151    1.9630   17.1078  H     
29   H        -3.5642    5.6415   12.8347  H     
30   H        -4.7346    6.6856   13.6285  H     
31   H        -3.1653    7.0311   15.5504  H     
32   H        -1.9794    5.9620   14.7635  H     
33   H        -2.5464    7.8185   12.8864  H     
34   H        -2.8238   10.2672   12.8888  H     
35   H        -3.0478   12.6581   12.6490  H     
36   H        -1.5169   14.1479   13.8108  H     
37   H         0.2078   13.2356   15.2616  H     
38   H         0.4325   10.8428   15.5192  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    8 2
    10    7    9 2
    11    7   10 am
    12   11   12 1
    13   12   13 1
    14   13   20 1
    15   14   15 2
    16   14   19 1
    17   14   20 1
    18   15   16 1
    19   16   17 2
    20   17   18 1
    21   18   19 2
    22   20   21 2
    23   20   22 2
    24    2   23 1
    25    3   24 1
    26    5   25 1
    27    6   26 1
    28   10   27 1
    29   10   28 1
    30   11   29 1
    31   11   30 1
    32   12   31 1
    33   12   32 1
    34   13   33 1
    35   15   34 1
    36   16   35 1
    37   17   36 1
    38   18   37 1
    39   19   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.6799
  Crash		| -1.2268
  Polar		| 2.4871
  FragIndex	| 1
  FragRMSD	| 1.087