@<TRIPOS>MOLECULE
BindingDB_12015
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.9010    6.7109   15.2197  C     
2    C        -1.2639    7.7495   15.9295  C     
3    C        -0.1437    8.3973   15.3762  C     
4    C         0.3325    8.0076   14.1131  C     
5    C        -0.3123    6.9754   13.4066  C     
6    F         0.4542    9.3610   16.0303  F     
7    C        -1.4310    6.2999   13.9482  C     
8    C        -2.1332    5.2608   13.1365  C     
9    N        -2.8411    4.2972   13.9229  N     
10   C        -4.1600    4.1188   13.9998  C     
11   O        -4.8944    4.8725   13.3678  O     
12   C        -4.7330    3.1288   14.8141  C     
13   C        -3.9587    2.0869   15.3899  C     
14   C        -6.1240    3.1268   15.0980  C     
15   C        -6.7046    2.1669   15.9437  C     
16   C        -5.9160    1.1493   16.5171  C     
17   C        -4.5390    1.1156   16.2289  C     
18   S        -6.6420   -0.0406   17.5632  S     
19   O        -6.5541    0.5150   19.0494  O     
20   O        -8.1624   -0.2812   17.1707  O     
21   N        -5.8366   -1.5162   17.5432  N     
22   H        -2.7279    6.2680   15.6291  H     
23   H        -1.6166    8.0268   16.8477  H     
24   H         1.1514    8.4740   13.7095  H     
25   H         0.0432    6.7228   12.4796  H     
26   H        -2.7828    5.7769   12.4214  H     
27   H        -1.4024    4.6894   12.5600  H     
28   H        -2.2964    3.7198   14.4754  H     
29   H        -2.9573    2.0089   15.1919  H     
30   H        -6.7409    3.8346   14.6961  H     
31   H        -7.7017    2.2208   16.1498  H     
32   H        -3.9403    0.3880   16.6304  H     
33   H        -6.0883   -2.2128   18.1715  H     
34   H        -5.2021   -1.7115   16.8311  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    7    8 1
     9    8    9 1
    10    9   10 am
    11   10   11 2
    12   10   12 1
    13   12   13 1
    14   12   14 2
    15   13   17 2
    16   14   15 1
    17   15   16 2
    18   16   17 1
    19   16   18 1
    20   18   19 2
    21   18   20 2
    22   18   21 am
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    5   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	| 3.6744
  Crash		| -0.4820
  Polar		| 0.0066
  FragIndex	| 1
  FragRMSD	| 0.392