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


@<TRIPOS>ATOM
1    C        -5.7480    9.3563   13.3445  C     
2    C        -6.1137    8.9046   14.6284  C     
3    C        -7.2619    8.1080   14.8070  C     
4    C        -8.0185    7.7208   13.6871  C     
5    C        -7.6368    8.1439   12.3983  C     
6    C        -6.5160    8.9940   12.2053  C     
7    C        -6.1611    9.4585   10.8317  C     
8    N        -7.2592   10.1252   10.1859  N     
9    C        -8.0466    9.6505    9.2173  C     
10   O        -7.9223    8.4838    8.8734  O     
11   C        -9.0175   10.4423    8.5689  C     
12   C       -10.2392    9.8771    8.1151  C     
13   C        -8.8054   11.8211    8.3041  C     
14   C        -9.7602   12.5930    7.6185  C     
15   C       -10.9678   12.0133    7.1754  C     
16   C       -11.1990   10.6464    7.4318  C     
17   S       -12.1124   12.9728    6.2696  S     
18   O       -11.3377   13.4016    4.9528  O     
19   O       -13.4044   12.1542    5.8296  O     
20   N       -12.5484   14.4030    7.0370  N     
21   F        -8.3273    7.6928   11.3895  F     
22   F        -4.6875   10.1207   13.2487  F     
23   H        -5.5531    9.1704   15.4446  H     
24   H        -7.5363    7.8045   15.7447  H     
25   H        -8.8406    7.1207   13.8144  H     
26   H        -5.3409   10.1711   10.8661  H     
27   H        -5.7938    8.6212   10.2359  H     
28   H        -7.4085   11.0355   10.4631  H     
29   H       -10.4528    8.8886    8.2806  H     
30   H        -7.9289   12.2755    8.5770  H     
31   H        -9.5616   13.5810    7.4346  H     
32   H       -12.0575   10.1951    7.1113  H     
33   H       -12.8717   15.1520    6.5047  H     
34   H       -12.6626   14.4236    8.0001  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	| 3.3503
  Crash		| -0.8502
  Polar		| 1.4297
  FragIndex	| 1
  FragRMSD	| 0.216