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


@<TRIPOS>ATOM
1    C        -2.5214    7.7393   15.0195  C     
2    C        -1.5105    8.3508   15.7807  C     
3    C        -1.3809    9.7518   15.7830  C     
4    C        -2.2944   10.5356   15.0455  C     
5    C        -3.3336    9.9253   14.3088  C     
6    F        -0.4208   10.3102   16.4691  F     
7    C        -3.4574    8.5063   14.2807  C     
8    C        -4.4985    7.8050   13.4773  C     
9    N        -4.9145    6.5803   14.0985  N     
10   C        -4.4310    5.3615   13.8574  C     
11   O        -3.5436    5.2193   13.0154  O     
12   C        -4.8429    4.2545   14.6015  C     
13   C        -6.1427    4.1818   15.1648  C     
14   C        -3.9667    3.1567   14.8014  C     
15   C        -4.3774    2.0204   15.5176  C     
16   C        -5.6832    1.9460   16.0426  C     
17   C        -6.5607    3.0387   15.8723  C     
18   S        -6.1990    0.5031   16.8681  S     
19   O        -5.4915    0.5535   18.2896  O     
20   O        -7.7731    0.3939   17.0633  O     
21   N        -5.5810   -0.8623   16.1076  N     
22   F        -4.1595   10.7026   13.6486  F     
23   H        -2.5640    6.7189   15.0225  H     
24   H        -0.8611    7.7693   16.3196  H     
25   H        -2.2036   11.5573   15.0523  H     
26   H        -5.3928    8.4192   13.3479  H     
27   H        -4.1111    7.6309   12.4729  H     
28   H        -5.5792    6.6616   14.8085  H     
29   H        -6.8142    4.9442   15.0353  H     
30   H        -3.0111    3.1776   14.4318  H     
31   H        -3.7212    1.2464   15.6442  H     
32   H        -7.5105    3.0066   16.2493  H     
33   H        -5.2257   -1.5863   16.6493  H     
34   H        -5.3284   -0.8055   15.1686  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	| 5.3841
  Crash		| -0.8557
  Polar		| 1.9471
  FragIndex	| 1
  FragRMSD	| 0.820