@<TRIPOS>MOLECULE
BindingDB_12018
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4462    9.8057   13.9415  C     
2    C        -1.7356   10.6589   14.8107  C     
3    C        -1.0030   10.1168   15.8815  C     
4    C        -0.9734    8.7243   16.0730  C     
5    C        -1.6500    7.8707   15.1806  C     
6    C        -2.4232    8.3999   14.1171  C     
7    C        -3.1307    7.5205   13.1405  C     
8    N        -3.7084    6.3259   13.6895  N     
9    C        -4.6956    6.2340   14.5712  C     
10   O        -5.2694    7.2626   14.9109  O     
11   C        -5.0732    5.0063   15.1383  C     
12   C        -4.2502    3.8550   15.0390  C     
13   C        -6.2753    4.8730   15.8791  C     
14   C        -6.6594    3.6443   16.4511  C     
15   C        -5.8433    2.5060   16.3107  C     
16   C        -4.6260    2.6262   15.6143  C     
17   S        -6.2865    0.9961   17.0611  S     
18   O        -6.0172   -0.1772   16.0245  O     
19   O        -5.4005    0.7372   18.3544  O     
20   N        -7.9129    0.8653   17.4566  N     
21   F        -1.5180    6.5848   15.3626  F     
22   F        -1.7296   11.9494   14.6087  F     
23   H        -2.9548   10.2205   13.1581  H     
24   H        -0.4810   10.7273   16.5213  H     
25   H        -0.4361    8.3375   16.8517  H     
26   H        -3.9125    8.0707   12.6077  H     
27   H        -2.3985    7.2172   12.3960  H     
28   H        -3.3288    5.4926   13.3776  H     
29   H        -3.3476    3.8933   14.5574  H     
30   H        -6.8999    5.6709   16.0099  H     
31   H        -7.5369    3.5946   16.9741  H     
32   H        -3.9993    1.8193   15.5207  H     
33   H        -8.3325   -0.0078   17.4133  H     
34   H        -8.4802    1.6497   17.3845  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 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    1   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	| 5.4163
  Crash		| -1.5783
  Polar		| 2.9232
  FragIndex	| 1
  FragRMSD	| 0.863