@<TRIPOS>MOLECULE
BindingDB_14791
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.3060   48.0299  -12.2337  C     
2    C         1.2054   48.4516  -11.4691  C     
3    N         3.4194   48.2395  -11.4919  N     
4    N         3.0937   48.7525  -10.3505  N     
5    C         2.3560   47.4534  -13.5894  C     
6    C        -0.1336   48.5471  -11.9126  C     
7    O        -0.4207   48.6335  -13.2570  O     
8    O        -1.1753   48.6078  -11.0277  O     
9    C        -2.5708   48.8274  -11.2913  C     
10   C        -3.1716   49.7669  -10.2265  C     
11   C         4.0515   49.0796   -9.4185  C     
12   C         4.5037   48.1136   -8.5042  C     
13   C         5.4560   48.4527   -7.5336  C     
14   C         6.0051   49.7607   -7.4805  C     
15   C         5.5678   50.7207   -8.4245  C     
16   C         4.5986   50.3811   -9.3932  C     
17   C         1.7457   48.8581  -10.2435  C     
18   C         0.9742   49.3461   -9.1020  C     
19   O         6.8947   50.0652   -6.4818  O     
20   C         8.2845   50.2199   -6.8750  C     
21   F         9.0371   50.4031   -5.7545  F     
22   F         8.8126   49.1219   -7.5253  F     
23   F         8.4421   51.3277   -7.7018  F     
24   H         1.7840   46.5212  -13.6086  H     
25   H         3.3918   47.2524  -13.8954  H     
26   H         1.9150   48.1557  -14.2963  H     
27   H        -2.7221   49.2638  -12.2877  H     
28   H        -3.1011   47.8672  -11.2701  H     
29   H        -2.9729   49.3756   -9.2319  H     
30   H        -4.2556   49.8395  -10.3596  H     
31   H        -2.7360   50.7563  -10.3212  H     
32   H         4.1094   47.1795   -8.5458  H     
33   H         5.7620   47.7358   -6.8733  H     
34   H         5.9686   51.6764   -8.3639  H     
35   H         4.3078   51.0920  -10.0890  H     
36   H         0.3994   50.2249   -9.3782  H     
37   H         1.6142   49.6153   -8.2664  H     
38   H         0.3052   48.5654   -8.7590  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 1
    22   20   21 1
    23   20   22 1
    24   20   23 1
    25    5   24 1
    26    5   25 1
    27    5   26 1
    28    9   27 1
    29    9   28 1
    30   10   29 1
    31   10   30 1
    32   10   31 1
    33   12   32 1
    34   13   33 1
    35   15   34 1
    36   16   35 1
    37   18   36 1
    38   18   37 1
    39   18   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5238
  Crash		| -0.2343
  Polar		| 1.1465
  FragIndex	| 1
  FragRMSD	| 0.212