@<TRIPOS>MOLECULE
BindingDB_12019
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7865    7.8912   15.1678  C     
2    C        -1.0298    8.7204   16.0138  C     
3    C        -1.1795   10.1139   15.9447  C     
4    C        -2.0894   10.6704   15.0246  C     
5    C        -2.8850    9.8370   14.2144  C     
6    C        -2.7505    8.4259   14.2798  C     
7    C        -3.5468    7.5202   13.3973  C     
8    N        -4.0482    6.3691   14.0956  N     
9    C        -4.9470    5.5013   13.6296  C     
10   O        -5.5495    5.7329   12.5833  O     
11   C        -5.2215    4.3383   14.3502  C     
12   C        -6.5488    4.0032   14.7164  C     
13   C        -4.1714    3.4814   14.7832  C     
14   C        -4.4456    2.3344   15.5510  C     
15   C        -5.7661    2.0201   15.9192  C     
16   C        -6.8102    2.8778   15.5204  C     
17   S        -6.1156    0.5654   16.8184  S     
18   O        -5.3251    0.6967   18.1909  O     
19   O        -7.6651    0.3952   17.1425  O     
20   N        -5.5025   -0.8182   16.1015  N     
21   F        -3.7050   10.4048   13.3699  F     
22   F        -1.5310    6.6101   15.1931  F     
23   H        -0.3598    8.3130   16.6638  H     
24   H        -0.6080   10.7256   16.5402  H     
25   H        -2.1643   11.6934   14.9598  H     
26   H        -4.3768    8.0615   12.9229  H     
27   H        -2.8998    7.1524   12.6036  H     
28   H        -3.6346    6.1567   14.9601  H     
29   H        -7.3235    4.6138   14.4408  H     
30   H        -3.1984    3.6900   14.5413  H     
31   H        -3.6681    1.7424   15.8544  H     
32   H        -7.7686    2.7020   15.8304  H     
33   H        -5.1862   -1.5399   16.6746  H     
34   H        -5.1867   -0.7998   15.1794  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    2   23 1
    25    3   24 1
    26    4   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2943
  Crash		| -1.8728
  Polar		| 2.9972
  FragIndex	| 1
  FragRMSD	| 0.284