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


@<TRIPOS>ATOM
1    C        -0.0851    8.5620   13.6953  C     
2    C         0.2364    9.6705   14.5060  C     
3    C        -0.4347    9.8620   15.7320  C     
4    C        -1.4236    8.9434   16.1357  C     
5    C        -1.7300    7.8291   15.3313  C     
6    C        -1.0589    7.6161   14.1004  C     
7    C        -1.3383    6.4508   13.2124  C     
8    N        -2.1250    5.4161   13.8015  N     
9    C        -3.4485    5.3118   13.8302  C     
10   O        -4.1120    6.1641   13.2536  O     
11   C        -4.1092    4.3025   14.5537  C     
12   C        -3.3853    3.3865   15.3645  C     
13   C        -5.5258    4.1701   14.5470  C     
14   C        -6.1776    3.1860   15.3181  C     
15   C        -5.4340    2.2837   16.1024  C     
16   C        -4.0325    2.3916   16.1170  C     
17   S        -6.2119    1.0600   17.0643  S     
18   O        -6.0797   -0.2529   16.1809  O     
19   O        -5.4341    0.7343   18.4121  O     
20   N        -7.8692    1.2082   17.2957  N     
21   F        -0.1256   10.8740   16.5019  F     
22   F        -2.0750    9.1069   17.2581  F     
23   F         1.1609   10.5057   14.1174  F     
24   H         0.4005    8.4431   12.8014  H     
25   H        -2.4546    7.1869   15.6443  H     
26   H        -1.7986    6.8109   12.2926  H     
27   H        -0.3867    6.0027   12.9432  H     
28   H        -1.6172    4.6963   14.2114  H     
29   H        -2.3679    3.4266   15.4217  H     
30   H        -6.1048    4.7850   13.9729  H     
31   H        -7.1990    3.1320   15.3034  H     
32   H        -3.4649    1.7529   16.6797  H     
33   H        -8.4409    0.4638   17.0459  H     
34   H        -8.2593    2.0931   17.3767  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	| 5.5892
  Crash		| -1.3583
  Polar		| 2.6873
  FragIndex	| 1
  FragRMSD	| 0.870