@<TRIPOS>MOLECULE
BindingDB_12017
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.1028    8.7090   14.1317  C     
2    C         0.4690    9.7752   14.9754  C     
3    C        -0.2873   10.0541   16.1289  C     
4    C        -1.4196    9.2773   16.4209  C     
5    C        -1.7962    8.2190   15.5729  C     
6    F         0.0577   11.0458   16.9063  F     
7    C        -1.0241    7.9008   14.4166  C     
8    C        -1.4009    6.8348   13.4411  C     
9    N        -2.1467    5.7451   13.9949  N     
10   C        -3.4502    5.4856   13.8319  C     
11   O        -4.1128    6.2522   13.1326  O     
12   C        -4.0967    4.4726   14.5413  C     
13   C        -3.3708    3.4586   15.2222  C     
14   C        -5.5102    4.4143   14.6345  C     
15   C        -6.1668    3.4365   15.4050  C     
16   C        -5.4210    2.4592   16.0841  C     
17   C        -4.0228    2.4658   15.9769  C     
18   S        -6.1945    1.2235   17.0358  S     
19   O        -6.0197   -0.0832   16.1588  O     
20   O        -5.4360    0.9606   18.4049  O     
21   N        -7.8540    1.3579   17.2153  N     
22   F        -2.8938    7.5806   15.8858  F     
23   H         0.6674    8.5374   13.2947  H     
24   H         1.2836   10.3451   14.7463  H     
25   H        -1.9875    9.4882   17.2482  H     
26   H        -1.9198    7.3183   12.6147  H     
27   H        -0.4930    6.3797   13.0286  H     
28   H        -1.6638    5.1692   14.6016  H     
29   H        -2.3468    3.4180   15.1694  H     
30   H        -6.0937    5.1084   14.1473  H     
31   H        -7.1852    3.4526   15.4663  H     
32   H        -3.4579    1.7556   16.4501  H     
33   H        -8.4031    0.5547   17.1537  H     
34   H        -8.2797    2.2273   17.1337  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    5   22 1
     9    7    8 1
    10    8    9 1
    11    9   10 am
    12   10   11 2
    13   10   12 1
    14   12   13 1
    15   12   14 2
    16   13   17 2
    17   14   15 1
    18   15   16 2
    19   16   17 1
    20   16   18 1
    21   18   19 2
    22   18   20 2
    23   18   21 am
    24    1   23 1
    25    2   24 1
    26    4   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	| 5.1720
  Crash		| -0.7632
  Polar		| 2.2822
  FragIndex	| 1
  FragRMSD	| 0.892