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


@<TRIPOS>ATOM
1    C        -0.3097    6.9738   13.5943  C     
2    C         0.2948    7.9824   14.3607  C     
3    C        -0.2630    8.3737   15.5918  C     
4    C        -1.4355    7.7451   16.0578  C     
5    C        -2.0463    6.7242   15.2899  C     
6    C        -1.4799    6.3151   14.0521  C     
7    C        -2.1056    5.2788   13.1756  C     
8    N        -2.8334    4.2609   13.8816  N     
9    C        -4.1480    4.1462   14.0168  C     
10   O        -4.8679    4.9732   13.4636  O     
11   C        -4.7290    3.1396   14.8087  C     
12   C        -3.9571    2.0956   15.3842  C     
13   C        -6.1185    3.1338   15.0928  C     
14   C        -6.6951    2.1791   15.9498  C     
15   C        -5.9056    1.1691   16.5323  C     
16   C        -4.5294    1.1374   16.2437  C     
17   S        -6.6381   -0.0413   17.5576  S     
18   O        -6.5615    0.4906   19.0569  O     
19   O        -8.1694   -0.2176   17.1575  O     
20   N        -5.8791   -1.5357   17.5048  N     
21   F        -3.1586    6.1915   15.7477  F     
22   F         1.3768    8.5728   13.9253  F     
23   H         0.1061    6.7174   12.6955  H     
24   H         0.1675    9.1244   16.1453  H     
25   H        -1.8586    8.0350   16.9446  H     
26   H        -2.7261    5.7839   12.4355  H     
27   H        -1.3202    4.7421   12.6266  H     
28   H        -2.2875    3.6319   14.3709  H     
29   H        -2.9594    2.0097   15.1855  H     
30   H        -6.7388    3.8424   14.6891  H     
31   H        -7.6978    2.2290   16.1497  H     
32   H        -3.9328    0.4161   16.6550  H     
33   H        -6.0852   -2.2042   18.1760  H     
34   H        -5.2463   -1.7369   16.7991  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	| 3.6934
  Crash		| -0.5707
  Polar		| 0.0063
  FragIndex	| 1
  FragRMSD	| 0.431