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


@<TRIPOS>ATOM
1    C        -1.8592    8.2208   15.7055  C     
2    C        -1.5146    9.2292   16.6240  C     
3    C        -0.4209   10.0730   16.3748  C     
4    C         0.3053    9.9308   15.1842  C     
5    C        -0.0301    8.9173   14.2655  C     
6    C        -1.0998    8.0131   14.5210  C     
7    C        -1.4445    6.9629   13.5123  C     
8    N        -2.1599    5.8276   14.0300  N     
9    C        -3.4544    5.5390   13.8548  C     
10   O        -4.1304    6.3009   13.1743  O     
11   C        -4.0886    4.4775   14.5211  C     
12   C        -5.5080    4.4029   14.6084  C     
13   C        -3.3528    3.4546   15.1741  C     
14   C        -3.9930    2.4457   15.9178  C     
15   C        -5.3932    2.4285   16.0303  C     
16   C        -6.1537    3.4062   15.3644  C     
17   S        -6.1561    1.1755   16.9719  S     
18   O        -6.0090   -0.1291   16.0824  O     
19   O        -5.3554    0.8827   18.3113  O     
20   N        -7.8056    1.2898   17.2490  N     
21   F         0.6702    8.8496   13.1625  F     
22   F        -2.9269    7.5241   15.9740  F     
23   H        -2.0649    9.3615   17.4729  H     
24   H        -0.1704   10.8026   17.0492  H     
25   H         1.0799   10.5713   14.9913  H     
26   H        -1.9885    7.4527   12.7053  H     
27   H        -0.5288    6.5532   13.0842  H     
28   H        -1.6552    5.2393   14.6107  H     
29   H        -6.0981    5.0952   14.1355  H     
30   H        -2.3323    3.4262   15.1171  H     
31   H        -3.4218    1.7359   16.3797  H     
32   H        -7.1713    3.4082   15.4287  H     
33   H        -8.3390    0.4744   17.2877  H     
34   H        -8.2420    2.1523   17.2728  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	| 5.2342
  Crash		| -1.1098
  Polar		| 2.3391
  FragIndex	| 1
  FragRMSD	| 0.913