@<TRIPOS>MOLECULE
BindingDB_12014
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.0668    8.7143   14.2437  C     
2    C         0.4039    9.7715   15.1036  C     
3    C        -0.3686   10.0271   16.2498  C     
4    C        -1.4959    9.2260   16.5179  C     
5    C        -1.8509    8.1765   15.6487  C     
6    C        -1.0588    7.8878   14.5024  C     
7    C        -1.3999    6.8151   13.5233  C     
8    N        -2.1486    5.7356   14.0964  N     
9    C        -3.4481    5.4836   13.9552  C     
10   O        -4.1174    6.2565   13.2692  O     
11   C        -4.0946    4.4466   14.6451  C     
12   C        -3.3708    3.4507   15.3504  C     
13   C        -5.5115    4.3537   14.6815  C     
14   C        -6.1697    3.3509   15.4171  C     
15   C        -5.4246    2.3913   16.1309  C     
16   C        -4.0191    2.4360   16.0737  C     
17   S        -6.2042    1.1348   17.0503  S     
18   O        -6.0870   -0.1515   16.1279  O     
19   O        -5.4212    0.8168   18.3975  O     
20   N        -7.8550    1.3083   17.3049  N     
21   F        -2.9425    7.5080   15.9170  F     
22   H         0.6442    8.5579   13.4094  H     
23   H         1.2137   10.3627   14.8967  H     
24   H        -0.1198   10.7925   16.8805  H     
25   H        -2.0690    9.4281   17.3411  H     
26   H        -1.9239    7.2902   12.6873  H     
27   H        -0.4878    6.3753   13.1110  H     
28   H        -1.6520    5.1473   14.6842  H     
29   H        -2.3454    3.4410   15.3408  H     
30   H        -6.0951    5.0264   14.1783  H     
31   H        -7.1912    3.3300   15.4401  H     
32   H        -3.4604    1.7398   16.5654  H     
33   H        -8.4136    0.5133   17.2763  H     
34   H        -8.2653    2.1815   17.2161  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5   21 1
     8    6    7 1
     9    7    8 1
    10    8    9 am
    11    9   10 2
    12    9   11 1
    13   11   12 1
    14   11   13 2
    15   12   16 2
    16   13   14 1
    17   14   15 2
    18   15   16 1
    19   15   17 1
    20   17   18 2
    21   17   19 2
    22   17   20 am
    23    1   22 1
    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	| 5.3412
  Crash		| -0.8833
  Polar		| 2.1971
  FragIndex	| 1
  FragRMSD	| 0.879