@<TRIPOS>MOLECULE
BindingDB_31843
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.2317   41.6069   -0.3721  C     
2    C         2.0259   42.7001    0.0334  C     
3    C         1.3945   43.7814    0.6730  C     
4    C        -0.7035   42.6867    0.5262  C     
5    N        -0.1054   41.6376   -0.1054  N     
6    N         0.0635   43.7397    0.9094  N     
7    N         1.8526   40.5419   -0.9402  N     
8    C         1.3083   39.3889   -1.4196  C     
9    C         1.5784   36.9814   -1.7565  C     
10   C         2.0691   38.2109   -1.2788  C     
11   C         0.0843   39.3268   -2.1161  C     
12   C        -0.3945   38.1008   -2.6148  C     
13   C         0.3378   36.8959   -2.4362  C     
14   N        -2.0073   42.7246    0.8875  N     
15   C        -2.9617   41.7769    0.6630  C     
16   C        -4.8717   40.5218    1.5401  C     
17   C        -3.8687   41.4940    1.7076  C     
18   C        -3.1372   41.1357   -0.5826  C     
19   C        -4.1440   40.1695   -0.7566  C     
20   C        -4.9995   39.8431    0.3146  C     
21   O        -5.9481   38.8843    0.1774  O     
22   F         3.3183   42.7370   -0.1719  F     
23   C        -0.1710   35.6693   -2.8566  C     
24   O         0.2250   34.6435   -2.2935  O     
25   N        -0.9821   35.5603   -3.9069  N     
26   C        -1.6418   34.4480   -4.3601  C     
27   C        -2.4803   33.1776   -6.2810  C     
28   C        -1.8222   34.3096   -5.7544  C     
29   C        -2.2166   33.4772   -3.5029  C     
30   C        -2.8774   32.3508   -4.0259  C     
31   C        -3.0059   32.2010   -5.4179  C     
32   F        -3.3875   31.4574   -3.2217  F     
33   H         1.9341   44.5904    0.9810  H     
34   H         2.8243   40.5661   -0.9210  H     
35   H         2.1530   36.1459   -1.6143  H     
36   H         2.9723   38.2357   -0.8045  H     
37   H        -0.4558   40.1770   -2.2855  H     
38   H        -1.2986   38.0936   -3.0957  H     
39   H        -2.2619   43.4635    1.4709  H     
40   H        -5.5069   40.3067    2.3134  H     
41   H        -3.7757   41.9653    2.6094  H     
42   H        -2.5483   41.3814   -1.3790  H     
43   H        -4.2671   39.7152   -1.6649  H     
44   H        -5.4609   38.0704   -0.0773  H     
45   H        -1.0848   36.3725   -4.4446  H     
46   H        -2.5874   33.0728   -7.2945  H     
47   H        -1.4509   35.0092   -6.3969  H     
48   H        -2.1715   33.5913   -2.4920  H     
49   H        -3.4889   31.3814   -5.8066  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    7 1
     4    2    3 1
     5    2   22 1
     6    3    6 2
     7    4    5 2
     8    4    6 1
     9    4   14 1
    10    7    8 1
    11    8   10 2
    12    8   11 1
    13    9   10 1
    14    9   13 2
    15   11   12 2
    16   12   13 1
    17   13   23 1
    18   14   15 1
    19   15   17 2
    20   15   18 1
    21   16   17 1
    22   16   20 2
    23   18   19 2
    24   19   20 1
    25   20   21 1
    26   23   24 2
    27   23   25 am
    28   25   26 1
    29   26   28 2
    30   26   29 1
    31   27   28 1
    32   27   31 2
    33   29   30 2
    34   30   31 1
    35   30   32 1
    36    3   33 1
    37    7   34 1
    38    9   35 1
    39   10   36 1
    40   11   37 1
    41   12   38 1
    42   14   39 1
    43   16   40 1
    44   17   41 1
    45   18   42 1
    46   19   43 1
    47   21   44 1
    48   25   45 1
    49   27   46 1
    50   28   47 1
    51   29   48 1
    52   31   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7825
  Crash		| -0.3440
  Polar		| 2.2212
  FragIndex	| 1
  FragRMSD	| 0.561