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


@<TRIPOS>ATOM
1    C        -2.4119    8.4532   15.2631  C     
2    C        -1.6208    9.2670   16.0901  C     
3    C        -0.3290    9.6463   15.6872  C     
4    C         0.1757    9.1993   14.4525  C     
5    C        -0.5992    8.3574   13.6347  C     
6    C        -1.9041    7.9610   14.0204  C     
7    C        -2.7761    7.1288   13.1393  C     
8    N        -3.2594    5.9563   13.8092  N     
9    C        -4.5307    5.6271   14.0318  C     
10   O        -5.4091    6.3500   13.5780  O     
11   C        -4.8995    4.5159   14.8072  C     
12   C        -3.9609    3.5384   15.2243  C     
13   C        -6.2484    4.3070   15.1959  C     
14   C        -6.6349    3.1970   15.9684  C     
15   C        -5.6819    2.2473   16.3658  C     
16   C        -4.3383    2.4217   15.9911  C     
17   S        -6.1540    0.8204   17.2443  S     
18   O        -5.9434   -0.4952   16.3852  O     
19   O        -5.2501    0.6471   18.5312  O     
20   N        -7.7217    0.8045   17.8236  N     
21   F        -0.0790    8.0029   12.4858  F     
22   F         0.3785   10.4405   16.4392  F     
23   F        -3.6263    8.1871   15.6611  F     
24   H        -1.9966    9.5965   16.9864  H     
25   H         1.1105    9.4940   14.1564  H     
26   H        -3.5836    7.7770   12.7819  H     
27   H        -2.2341    6.7734   12.2601  H     
28   H        -2.5748    5.3776   14.1761  H     
29   H        -2.9760    3.6072   14.9675  H     
30   H        -6.9835    4.9686   14.9287  H     
31   H        -7.6188    3.0912   16.2360  H     
32   H        -3.6287    1.7369   16.2666  H     
33   H        -7.8791    0.9695   18.7674  H     
34   H        -8.4588    0.7791   17.1964  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	| 4.9804
  Crash		| -1.5611
  Polar		| 2.7046
  FragIndex	| 1
  FragRMSD	| 0.856