@<TRIPOS>MOLECULE
BindingDB_12019
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7931    8.4217   14.4093  C     
2    C        -0.4764    8.7560   14.8130  C     
3    C         0.6194    8.4865   13.9732  C     
4    C         0.4007    7.8748   12.7308  C     
5    C        -0.9002    7.4887   12.3442  C     
6    C        -2.0216    7.7381   13.1831  C     
7    C        -3.3568    7.2053   12.7844  C     
8    N        -3.7874    6.0170   13.4568  N     
9    C        -4.3699    5.9758   14.6550  C     
10   O        -4.5032    7.0018   15.3350  O     
11   C        -4.8166    4.7945   15.1796  C     
12   C        -6.1704    4.6552   15.5603  C     
13   C        -3.9127    3.7328   15.4241  C     
14   C        -4.3666    2.5474   16.0310  C     
15   C        -5.7312    2.3955   16.3709  C     
16   C        -6.6253    3.4617   16.1426  C     
17   S        -6.2736    0.9202   17.1143  S     
18   O        -6.0353   -0.2595   16.0787  O     
19   O        -5.4327    0.6383   18.4339  O     
20   N        -7.9236    0.8906   17.4281  N     
21   F        -1.0407    6.8726   11.2022  F     
22   F        -2.7713    8.7480   15.2107  F     
23   H        -0.3085    9.1665   15.7348  H     
24   H         1.5621    8.7299   14.2750  H     
25   H         1.1964    7.6809   12.1209  H     
26   H        -4.1022    7.9976   12.9015  H     
27   H        -3.3156    6.9480   11.7233  H     
28   H        -3.7028    5.1777   12.9729  H     
29   H        -6.8321    5.4135   15.4131  H     
30   H        -2.9235    3.8290   15.1949  H     
31   H        -3.6941    1.8044   16.2349  H     
32   H        -7.6044    3.3892   16.4136  H     
33   H        -8.3709    0.0368   17.5205  H     
34   H        -8.4546    1.6963   17.2841  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 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    2   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	| 4.8114
  Crash		| -1.0887
  Polar		| 2.7751
  FragIndex	| 1
  FragRMSD	| 0.888