@<TRIPOS>MOLECULE
BindingDB_12018
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.5128    7.9391   12.1427  C     
2    C        -7.8517    7.4169   13.3991  C     
3    C        -7.2512    7.9389   14.5519  C     
4    C        -6.2995    8.9704   14.4454  C     
5    C        -5.9780    9.5082   13.1810  C     
6    C        -6.5670    8.9806   12.0058  C     
7    C        -6.2078    9.4579   10.6451  C     
8    N        -7.3302   10.1029   10.0376  N     
9    C        -8.1990    9.5591    9.1823  C     
10   O        -8.1912    8.3540    8.8982  O     
11   C        -9.1084   10.3454    8.5384  C     
12   C       -10.3625    9.8266    8.0827  C     
13   C        -8.8410   11.7169    8.2729  C     
14   C        -9.7271   12.5176    7.5562  C     
15   C       -10.9674   11.9883    7.1173  C     
16   C       -11.2842   10.6375    7.4121  C     
17   S       -12.0731   12.9645    6.1933  S     
18   O       -11.3388   13.5545    4.8972  O     
19   O       -13.3334   12.1258    5.6994  O     
20   N       -12.6127   14.3065    7.0693  N     
21   F        -5.1175   10.4883   13.1298  F     
22   F        -8.7117    6.4378   13.4913  F     
23   H        -7.9579    7.5468   11.3060  H     
24   H        -7.4650    7.5382   15.4774  H     
25   H        -5.8635    9.3460   15.2926  H     
26   H        -5.4246   10.2126   10.6606  H     
27   H        -5.8379    8.6191   10.0625  H     
28   H        -7.4515   11.0626   10.2015  H     
29   H       -10.5979    8.8568    8.2672  H     
30   H        -7.9543   12.1225    8.5982  H     
31   H        -9.4737   13.4952    7.3445  H     
32   H       -12.1885   10.2499    7.1020  H     
33   H       -13.0380   15.0457    6.6211  H     
34   H       -12.6399   14.3034    8.0367  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 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    1   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	| 3.5647
  Crash		| -0.7220
  Polar		| 1.3760
  FragIndex	| 1
  FragRMSD	| 0.186