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


@<TRIPOS>ATOM
1    C        -0.2818    7.0272   13.4426  C     
2    C         0.3688    8.0882   14.1048  C     
3    C        -0.0990    8.5336   15.3529  C     
4    C        -1.2233    7.9287   15.9305  C     
5    C        -1.8772    6.8628   15.2788  C     
6    C        -1.4004    6.3708   14.0274  C     
7    C        -2.0674    5.2735   13.2630  C     
8    N        -2.7748    4.2964   14.0430  N     
9    C        -4.0912    4.1106   14.1112  C     
10   O        -4.8254    4.8631   13.4776  O     
11   C        -4.6643    3.1179   14.9276  C     
12   C        -3.9012    2.0593   15.4904  C     
13   C        -6.0553    3.1250   15.2148  C     
14   C        -6.6495    2.1497   16.0360  C     
15   C        -5.8732    1.1111   16.5813  C     
16   C        -4.4929    1.0752   16.3057  C     
17   S        -6.6153   -0.0956   17.5987  S     
18   O        -6.6142    0.4612   19.0885  O     
19   O        -8.1131   -0.3289   17.1167  O     
20   N        -5.8200   -1.5737   17.5581  N     
21   F        -2.9416    6.3889   15.8669  F     
22   F         0.1849    6.6788   12.2689  F     
23   H         1.1816    8.5446   13.6822  H     
24   H         0.3694    9.3036   15.8322  H     
25   H        -1.5751    8.2738   16.8258  H     
26   H        -2.6920    5.7491   12.5064  H     
27   H        -1.3115    4.6972   12.7295  H     
28   H        -2.2157    3.7426   14.6049  H     
29   H        -2.8960    1.9873   15.3207  H     
30   H        -6.6603    3.8672   14.8469  H     
31   H        -7.6471    2.2149   16.2396  H     
32   H        -3.9031    0.3369   16.6990  H     
33   H        -6.2206   -2.3471   17.9886  H     
34   H        -5.0299   -1.6870   17.0039  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	| 3.5965
  Crash		| -0.7457
  Polar		| 0.0148
  FragIndex	| 1
  FragRMSD	| 0.404