@<TRIPOS>MOLECULE
BindingDB_12016
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7038    7.4930   15.0712  C     
2    C        -1.1251    8.3598   16.0167  C     
3    C        -1.2711    9.7497   15.8729  C     
4    C        -2.0245   10.2722   14.8009  C     
5    C        -2.6212    9.3937   13.8661  C     
6    C        -2.4673    7.9879   13.9845  C     
7    C        -2.9912    7.0378   12.9618  C     
8    N        -3.4830    5.8315   13.5489  N     
9    C        -4.7305    5.5408   13.8828  C     
10   O        -5.6228    6.3272   13.5926  O     
11   C        -5.0347    4.3631   14.5832  C     
12   C        -6.3853    4.0013   14.8347  C     
13   C        -4.0297    3.4928   15.0977  C     
14   C        -4.3608    2.3223   15.8104  C     
15   C        -5.7096    1.9820   16.0316  C     
16   C        -6.7193    2.8396   15.5578  C     
17   S        -6.1179    0.4993   16.8504  S     
18   O        -5.3449    0.5618   18.2384  O     
19   O        -7.6740    0.2714   17.0939  O     
20   N        -5.4504   -0.8126   16.0388  N     
21   F        -3.2825    9.9211   12.8652  F     
22   F        -2.1420   11.5711   14.6886  F     
23   H        -1.5648    6.4837   15.1802  H     
24   H        -0.6038    7.9779   16.8125  H     
25   H        -0.8240   10.3708   16.5532  H     
26   H        -3.7452    7.4904   12.3096  H     
27   H        -2.1480    6.7643   12.3241  H     
28   H        -2.8140    5.1640   13.7514  H     
29   H        -7.1519    4.5822   14.4957  H     
30   H        -3.0380    3.6988   14.9773  H     
31   H        -3.6106    1.7168   16.1645  H     
32   H        -7.7063    2.6243   15.7233  H     
33   H        -5.0912   -1.5621   16.5442  H     
34   H        -5.3131   -0.7647   15.0728  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   22 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    1   23 1
    25    2   24 1
    26    3   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	| 5.2171
  Crash		| -1.1523
  Polar		| 1.9850
  FragIndex	| 1
  FragRMSD	| 0.390