@<TRIPOS>MOLECULE
BindingDB_12022
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.9108    7.3470   15.1335  C     
2    C        -1.2911    8.3209   15.9358  C     
3    C        -0.0800    8.9126   15.5257  C     
4    C         0.5183    8.4998   14.3190  C     
5    C        -0.0960    7.5069   13.5272  C     
6    C        -1.3255    6.9260   13.9125  C     
7    C        -2.0114    5.9609   13.0133  C     
8    N        -2.6520    4.9091   13.7431  N     
9    C        -3.9576    4.6349   13.7891  C     
10   O        -4.7286    5.3184   13.1202  O     
11   C        -4.4907    3.6585   14.6421  C     
12   C        -5.8979    3.5063   14.8024  C     
13   C        -3.6604    2.7797   15.3862  C     
14   C        -4.1953    1.8039   16.2483  C     
15   C        -5.5920    1.6805   16.3854  C     
16   C        -6.4400    2.5453   15.6694  C     
17   S        -6.2489    0.4405   17.4213  S     
18   O        -6.0652   -0.8968   16.5842  O     
19   O        -5.4217    0.3057   18.7710  O     
20   N        -7.9087    0.5282   17.7018  N     
21   F         0.4838    9.8415   16.2592  F     
22   F         1.6441    9.0348   13.9224  F     
23   F        -1.8579    8.6831   17.0582  F     
24   H        -2.8042    6.9558   15.4409  H     
25   H         0.3464    7.2402   12.6464  H     
26   H        -2.7036    6.5310   12.4004  H     
27   H        -1.2969    5.4964   12.3366  H     
28   H        -2.0695    4.3623   14.2804  H     
29   H        -6.5498    4.1048   14.2967  H     
30   H        -2.6373    2.8286   15.3189  H     
31   H        -3.5584    1.1838   16.7640  H     
32   H        -7.4516    2.4710   15.7631  H     
33   H        -8.3908   -0.2705   18.0087  H     
34   H        -8.3939    1.3615   17.5584  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   23 1
     5    3    4 2
     6    3   21 1
     7    4    5 1
     8    4   22 1
     9    5    6 2
    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    1   24 1
    26    5   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	| 3.9576
  Crash		| -1.1869
  Polar		| 2.2994
  FragIndex	| 1
  FragRMSD	| 0.887