@<TRIPOS>MOLECULE
BindingDB_12021
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.8135    9.2811   14.5086  C     
2    C        -1.8799   10.0959   15.1774  C     
3    C        -0.5071    9.7957   15.1273  C     
4    C        -0.0746    8.6665   14.4125  C     
5    C        -1.0023    7.8312   13.7614  C     
6    C        -2.3882    8.1340   13.7876  C     
7    C        -3.3556    7.2787   13.0409  C     
8    N        -3.6970    6.1031   13.7887  N     
9    C        -4.7863    5.3644   13.5952  C     
10   O        -5.5937    5.6950   12.7303  O     
11   C        -5.0743    4.2635   14.4027  C     
12   C        -6.4104    3.9930   14.7958  C     
13   C        -4.0633    3.3713   14.8418  C     
14   C        -4.3798    2.2398   15.6178  C     
15   C        -5.7146    1.9837   15.9917  C     
16   C        -6.7218    2.8819   15.5915  C     
17   S        -6.1300    0.5543   16.8936  S     
18   O        -5.3890    0.6602   18.2947  O     
19   O        -7.6928    0.3963   17.1448  O     
20   N        -5.5201   -0.8209   16.1434  N     
21   F        -0.5468    6.7855   13.1200  F     
22   F         0.3575   10.5602   15.7382  F     
23   F        -4.0731    9.6170   14.5922  F     
24   H        -2.1946   10.9270   15.6855  H     
25   H         0.9226    8.4583   14.3581  H     
26   H        -4.2690    7.8308   12.8225  H     
27   H        -2.9166    6.9888   12.0801  H     
28   H        -3.1123    5.8605   14.5209  H     
29   H        -7.1709    4.6193   14.5203  H     
30   H        -3.0845    3.5217   14.5812  H     
31   H        -3.6330    1.5982   15.8948  H     
32   H        -7.6944    2.7286   15.8697  H     
33   H        -5.2019   -1.5614   16.6879  H     
34   H        -5.2878   -0.7896   15.1954  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   23 1
     4    2    3 1
     5    3    4 2
     6    3   22 1
     7    4    5 1
     8    5    6 2
     9    5   21 1
    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    2   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	| 5.2253
  Crash		| -0.9647
  Polar		| 2.8634
  FragIndex	| 1
  FragRMSD	| 0.173