@<TRIPOS>MOLECULE
BindingDB_12020
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.2395    6.7123   13.3448  C     
2    C         0.4555    7.7177   14.0357  C     
3    C        -0.0538    8.2171   15.2539  C     
4    C        -1.2573    7.7086   15.7603  C     
5    C        -1.9506    6.6943   15.0802  C     
6    C        -1.4467    6.1738   13.8489  C     
7    C        -2.2251    5.2095   13.0118  C     
8    N        -2.8870    4.1667   13.7420  N     
9    C        -4.2194    3.9683   13.8584  C     
10   O        -4.9614    4.7531   13.2569  O     
11   C        -4.7637    3.0232   14.7196  C     
12   C        -6.1554    3.0351   15.0234  C     
13   C        -3.9752    2.0236   15.3496  C     
14   C        -4.5391    1.0997   16.2533  C     
15   C        -5.9145    1.1469   16.5515  C     
16   C        -6.7147    2.1278   15.9407  C     
17   S        -6.6380   -0.0242   17.6247  S     
18   O        -6.5143    0.5331   19.1122  O     
19   O        -8.1747   -0.2261   17.2572  O     
20   N        -5.8630   -1.5128   17.5462  N     
21   F        -3.0726    6.2799   15.5991  F     
22   F         0.6055    9.1584   15.8788  F     
23   F        -1.7548    8.2047   16.8671  F     
24   H         0.1349    6.3944   12.4402  H     
25   H         1.3203    8.0994   13.6470  H     
26   H        -2.9260    5.8068   12.4227  H     
27   H        -1.5697    4.7023   12.2922  H     
28   H        -2.3207    3.5793   14.2595  H     
29   H        -6.7831    3.7128   14.5889  H     
30   H        -2.9781    1.9395   15.1460  H     
31   H        -3.9374    0.3970   16.6826  H     
32   H        -7.7106    2.1893   16.1538  H     
33   H        -5.9716   -2.1482   18.2659  H     
34   H        -5.1871   -1.6640   16.8627  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   22 1
     6    4    5 1
     7    4   23 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    1   24 1
    26    2   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	| 3.5178
  Crash		| -0.6733
  Polar		| 0.0105
  FragIndex	| 1
  FragRMSD	| 0.441