@<TRIPOS>MOLECULE
BindingDB_12021
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.7337    9.3319   13.2372  C     
2    C        -6.0955    8.9242   14.5402  C     
3    C        -7.2522    8.1548   14.7545  C     
4    C        -8.0409    7.7706   13.6567  C     
5    C        -7.6778    8.1666   12.3530  C     
6    C        -6.5211    8.9554   12.1206  C     
7    C        -6.1484    9.3275   10.7234  C     
8    N        -7.2182   10.0298   10.0727  N     
9    C        -8.0625    9.5630    9.1537  C     
10   O        -7.9882    8.3777    8.8512  O     
11   C        -9.0189   10.3746    8.5170  C     
12   C       -10.2691    9.8436    8.0977  C     
13   C        -8.7746   11.7470    8.2267  C     
14   C        -9.7265   12.5394    7.5579  C     
15   C       -10.9560   11.9921    7.1565  C     
16   C       -11.2222   10.6295    7.4266  C     
17   S       -12.1304   12.9563    6.2920  S     
18   O       -11.4018   13.4223    4.9526  O     
19   O       -13.3980   12.0799    5.8780  O     
20   N       -12.6303   14.3464    7.0874  N     
21   F        -8.4319    7.7639   11.3638  F     
22   F        -7.5784    7.7966   15.9643  F     
23   F        -4.6606   10.0703   13.1046  F     
24   H        -5.5190    9.2072   15.3403  H     
25   H        -8.8780    7.2004   13.8009  H     
26   H        -5.2833    9.9911   10.7011  H     
27   H        -5.8546    8.4156   10.1899  H     
28   H        -7.3170   10.9584   10.3329  H     
29   H       -10.5023    8.8592    8.2677  H     
30   H        -7.8856   12.1854    8.4720  H     
31   H        -9.5078   13.5195    7.3616  H     
32   H       -12.1002   10.1984    7.1258  H     
33   H       -12.9915   15.0886    6.5741  H     
34   H       -12.7008   14.3500    8.0559  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   23 1
     4    2    3 1
     5    3    4 2
     6    3   22 1
     7    4    5 1
     8    5    6 2
     9    5   21 1
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    2   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	| 3.2938
  Crash		| -0.8222
  Polar		| 1.4071
  FragIndex	| 1
  FragRMSD	| 0.175