@<TRIPOS>MOLECULE
BindingDB_12016
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.7364    7.5886   12.3416  C     
2    C         0.5158    8.0632   12.7700  C     
3    C         0.6494    8.6493   14.0409  C     
4    C        -0.4696    8.7605   14.8876  C     
5    C        -1.7289    8.2889   14.4571  C     
6    C        -1.8731    7.6914   13.1766  C     
7    C        -3.1928    7.2008   12.7024  C     
8    N        -3.6201    6.0900   13.4990  N     
9    C        -4.7069    6.0199   14.2683  C     
10   O        -5.4412    7.0007   14.3415  O     
11   C        -5.0508    4.8526   14.9582  C     
12   C        -6.3285    4.7219   15.5643  C     
13   C        -4.1602    3.7531   15.0822  C     
14   C        -4.5421    2.5717   15.7423  C     
15   C        -5.8292    2.4489   16.2957  C     
16   C        -6.7141    3.5411   16.2224  C     
17   S        -6.3020    0.9666   17.0810  S     
18   O        -6.0307   -0.2357   16.0797  O     
19   O        -5.4358    0.7607   18.4003  O     
20   N        -7.9383    0.8757   17.4408  N     
21   F        -2.7546    8.4203   15.2566  F     
22   F        -0.3302    9.3107   16.0643  F     
23   H        -0.8083    7.1736   11.4087  H     
24   H         1.3331    7.9834   12.1581  H     
25   H         1.5652    8.9976   14.3446  H     
26   H        -3.8959    8.0380   12.7173  H     
27   H        -3.1440    6.8488   11.6705  H     
28   H        -3.0618    5.3000   13.4493  H     
29   H        -7.0109    5.4848   15.5200  H     
30   H        -3.2172    3.7914   14.6929  H     
31   H        -3.8769    1.7981   15.8044  H     
32   H        -7.6481    3.4908   16.6359  H     
33   H        -8.3235    0.0027   17.6078  H     
34   H        -8.5214    1.6072   17.1853  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   22 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    1   23 1
    25    2   24 1
    26    3   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	| 4.6662
  Crash		| -0.8658
  Polar		| 2.8225
  FragIndex	| 1
  FragRMSD	| 0.834