@<TRIPOS>MOLECULE
BindingDB_12015
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.4892    8.1556   12.4623  C     
2    C        -0.1178    8.3667   12.6997  C     
3    C         0.3356    8.6283   14.0061  C     
4    C        -0.5914    8.7433   15.0586  C     
5    C        -1.9660    8.5346   14.8191  C     
6    F         1.6126    8.7675   14.2333  F     
7    C        -2.4258    8.2207   13.5164  C     
8    C        -3.8563    7.8499   13.2959  C     
9    N        -4.3432    6.7321   14.0540  N     
10   C        -3.7852    5.5169   14.1829  C     
11   O        -2.6855    5.3048   13.6656  O     
12   C        -4.3712    4.4963   14.9243  C     
13   C        -3.5855    3.4704   15.4970  C     
14   C        -5.7734    4.4057   15.0953  C     
15   C        -6.3655    3.3250   15.7815  C     
16   C        -5.5655    2.3016   16.3265  C     
17   C        -4.1708    2.3908   16.1857  C     
18   S        -6.2482    0.9281   17.1571  S     
19   O        -6.0408   -0.3040   16.1856  O     
20   O        -5.4581    0.6080   18.4957  O     
21   N        -7.9080    0.9725   17.3943  N     
22   H        -1.7989    7.9733   11.4998  H     
23   H         0.5474    8.3132   11.9260  H     
24   H        -0.2749    8.9746   15.9983  H     
25   H        -2.6259    8.6293   15.5928  H     
26   H        -4.4636    8.7178   13.5619  H     
27   H        -4.0448    7.6408   12.2409  H     
28   H        -5.1746    6.8569   14.5418  H     
29   H        -2.5607    3.4892   15.4266  H     
30   H        -6.3912    5.1085   14.6853  H     
31   H        -7.3778    3.2824   15.8759  H     
32   H        -3.5761    1.6673   16.5850  H     
33   H        -8.3999    0.1460   17.3077  H     
34   H        -8.3737    1.8170   17.3089  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5    7 2
     8    7    8 1
     9    8    9 1
    10    9   10 am
    11   10   11 2
    12   10   12 1
    13   12   13 1
    14   12   14 2
    15   13   17 2
    16   14   15 1
    17   15   16 2
    18   16   17 1
    19   16   18 1
    20   18   19 2
    21   18   20 2
    22   18   21 am
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    5   25 1
    27    8   26 1
    28    8   27 1
    29    9   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   21   33 1
    35   21   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7059
  Crash		| -0.8881
  Polar		| 2.8118
  FragIndex	| 1
  FragRMSD	| 1.274