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


@<TRIPOS>ATOM
1    C        -2.3297    8.2046   15.2166  C     
2    C        -1.5786    9.0479   16.0553  C     
3    C        -0.3501    9.5716   15.6102  C     
4    C         0.1364    9.2266   14.3345  C     
5    C        -0.6041    8.3570   13.5131  C     
6    C        -1.8447    7.8269   13.9406  C     
7    C        -2.6457    6.9629   13.0412  C     
8    N        -3.1749    5.8267   13.7331  N     
9    C        -4.4370    5.6430   14.1132  C     
10   O        -5.2676    6.4973   13.8148  O     
11   C        -4.8327    4.5283   14.8598  C     
12   C        -6.1958    4.3536   15.2172  C     
13   C        -3.9143    3.5313   15.2908  C     
14   C        -4.3468    2.4045   16.0128  C     
15   C        -5.7082    2.2426   16.3303  C     
16   C        -6.6291    3.2344   15.9452  C     
17   S        -6.2413    0.8174   17.1701  S     
18   O        -5.9390   -0.4323   16.2396  O     
19   O        -5.4131    0.6822   18.5178  O     
20   N        -7.8846    0.7678   17.4991  N     
21   F         0.3375   10.3811   16.3744  F     
22   F         1.2670    9.7123   13.8985  F     
23   F        -2.0357    9.3457   17.2421  F     
24   H        -3.2332    7.8554   15.5465  H     
25   H        -0.2454    8.1318   12.5811  H     
26   H        -3.4244    7.5802   12.5932  H     
27   H        -2.0410    6.5741   12.2199  H     
28   H        -2.5294    5.1531   13.9944  H     
29   H        -6.9019    5.0404   14.9483  H     
30   H        -2.9176    3.6034   15.0878  H     
31   H        -3.6590    1.7011   16.3005  H     
32   H        -7.6180    3.1490   16.1828  H     
33   H        -8.2719   -0.0320   17.8845  H     
34   H        -8.4546    1.5324   17.2946  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	| 4.8468
  Crash		| -1.6901
  Polar		| 2.6335
  FragIndex	| 1
  FragRMSD	| 0.914