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


@<TRIPOS>ATOM
1    C        -1.5683    6.4687   12.7487  C     
2    C        -0.5592    7.3526   13.1829  C     
3    C        -0.1178    8.3907   12.3410  C     
4    C        -0.6792    8.5290   11.0570  C     
5    C        -1.6825    7.6418   10.6199  C     
6    F         0.8112    9.2128   12.7453  F     
7    C        -2.1556    6.6036   11.4641  C     
8    C        -3.2343    5.6869   10.9758  C     
9    N        -3.6810    4.7286   11.9450  N     
10   C        -4.9130    4.5748   12.4464  C     
11   O        -5.8134    5.3137   12.0457  O     
12   C        -5.1657    3.6782   13.4877  C     
13   C        -4.2115    2.7090   13.9093  C     
14   C        -6.3969    3.7112   14.1996  C     
15   C        -6.6657    2.8251   15.2599  C     
16   C        -5.7062    1.8733   15.6524  C     
17   C        -4.4755    1.8218   14.9688  C     
18   S        -6.0141    0.7438   16.9428  S     
19   O        -6.0174   -0.6944   16.2626  O     
20   O        -4.8439    0.7993   18.0159  O     
21   N        -7.5007    0.8754   17.7085  N     
22   F        -2.1665    7.8099    9.4167  F     
23   H        -1.8623    5.7320   13.3960  H     
24   H        -0.1422    7.2376   14.1111  H     
25   H        -0.3534    9.2795   10.4416  H     
26   H        -4.0655    6.3050   10.6162  H     
27   H        -2.8571    5.1223   10.1176  H     
28   H        -3.0033    4.1186   12.2762  H     
29   H        -3.3044    2.6234   13.4461  H     
30   H        -7.1216    4.3952   13.9604  H     
31   H        -7.5582    2.8952   15.7505  H     
32   H        -3.7621    1.1389   15.2425  H     
33   H        -7.7987    0.1609   18.2898  H     
34   H        -8.0293    1.6867   17.6101  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	| 4.2434
  Crash		| -0.5920
  Polar		| 3.8591
  FragIndex	| 1
  FragRMSD	| 0.832