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


@<TRIPOS>ATOM
1    C        -1.9694    6.7981   15.0005  C     
2    C        -1.2650    7.8032   15.6900  C     
3    C        -0.0369    8.2811   15.1866  C     
4    C         0.4865    7.7333   13.9926  C     
5    C        -0.2144    6.7222   13.3085  C     
6    C        -1.4567    6.2406   13.8007  C     
7    C        -2.2523    5.2501   13.0289  C     
8    N        -2.9039    4.2953   13.8835  N     
9    C        -4.2148    4.1222   14.0354  C     
10   O        -4.9810    4.8831   13.4547  O     
11   C        -4.7495    3.1308   14.8710  C     
12   C        -6.1286    3.1372   15.2105  C     
13   C        -3.9557    2.0829   15.4081  C     
14   C        -4.5176    1.0840   16.2283  C     
15   C        -5.8909    1.1063   16.5449  C     
16   C        -6.6899    2.1489   16.0368  C     
17   S        -6.6120   -0.1314   17.5419  S     
18   O        -6.5397    0.4138   19.0345  O     
19   O        -8.1397   -0.3616   17.1608  O     
20   N        -5.7924   -1.5997   17.5169  N     
21   F         0.6168    9.2171   15.8256  F     
22   F         1.6280    8.1626   13.5132  F     
23   F        -1.7620    8.2955   16.7951  F     
24   H        -2.8676    6.4766   15.3728  H     
25   H         0.1750    6.3575   12.4338  H     
26   H        -2.9585    5.8111   12.4101  H     
27   H        -1.6029    4.6803   12.3560  H     
28   H        -2.3208    3.7114   14.3941  H     
29   H        -6.7533    3.8654   14.8554  H     
30   H        -2.9589    2.0144   15.1909  H     
31   H        -3.9158    0.3426   16.5956  H     
32   H        -7.6858    2.2022   16.2675  H     
33   H        -5.8906   -2.2185   18.2593  H     
34   H        -5.2313   -1.8344   16.7606  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	| 3.4155
  Crash		| -0.6458
  Polar		| 0.0086
  FragIndex	| 1
  FragRMSD	| 0.398