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


@<TRIPOS>ATOM
1    C        -1.6343    6.6720   12.8260  C     
2    C        -0.5293    7.4530   13.2056  C     
3    C         0.0560    8.3363   12.2801  C     
4    C        -0.4480    8.4167   10.9686  C     
5    C        -1.5489    7.6184   10.5837  C     
6    C        -2.1525    6.7169   11.5046  C     
7    C        -3.3749    5.9301   11.1685  C     
8    N        -3.6903    4.8851   12.1044  N     
9    C        -4.9227    4.6004   12.5267  C     
10   O        -5.8561    5.2416   12.0549  O     
11   C        -5.1678    3.6691   13.5388  C     
12   C        -6.3967    3.6797   14.2486  C     
13   C        -4.2059    2.6911   13.9191  C     
14   C        -4.4618    1.7729   14.9596  C     
15   C        -5.6928    1.8047   15.6566  C     
16   C        -6.6447    2.7702   15.2892  C     
17   S        -6.0521    0.6430   16.9115  S     
18   O        -5.9747   -0.7946   16.2235  O     
19   O        -4.9266    0.7114   18.0330  O     
20   N        -7.5877    0.7460   17.5963  N     
21   F        -2.0052    7.7626    9.3687  F     
22   H        -2.0572    6.0636   13.5234  H     
23   H        -0.1747    7.4064   14.1629  H     
24   H         0.8444    8.9219   12.5594  H     
25   H        -0.0265    9.0723   10.3097  H     
26   H        -4.2045    6.6503   11.1368  H     
27   H        -3.2805    5.4699   10.1779  H     
28   H        -2.9512    4.3922   12.4894  H     
29   H        -7.1113    4.3800   14.0345  H     
30   H        -3.3011    2.6277   13.4391  H     
31   H        -3.7517    1.0794   15.2145  H     
32   H        -7.5351    2.8203   15.7772  H     
33   H        -7.8808    0.0683   18.2289  H     
34   H        -8.0992    1.5765   17.5075  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	| 4.2040
  Crash		| -0.6943
  Polar		| 3.7388
  FragIndex	| 1
  FragRMSD	| 0.837