@<TRIPOS>MOLECULE
BindingDB_30195
 40 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.7284   64.7883  191.5034  C     
2    C        30.3944   64.7456  192.7516  C     
3    N        31.2094   65.7891  193.0554  N     
4    C        31.4169   66.8591  192.2536  C     
5    C        30.7515   66.9331  191.0232  C     
6    C        29.8947   65.8842  190.6212  C     
7    C        29.2155   65.9216  189.3720  C     
8    C        27.9191   65.2798  187.7032  C     
9    N        28.4273   64.9357  188.8936  N     
10   C        29.2258   66.9385  188.4066  C     
11   C        26.5759   65.3005  185.5810  C     
12   C        27.0496   64.4813  186.8242  C     
13   C        28.4226   66.5254  187.3521  C     
14   C        28.1499   67.0938  186.1261  C     
15   N        27.2802   66.5217  185.3077  N     
16   O        28.7321   68.1008  185.7526  O     
17   C        30.2493   63.6672  193.6912  C     
18   C        28.9449   61.8257  194.6898  C     
19   C        29.9898   61.5136  195.5913  C     
20   C        31.1762   62.2827  195.5144  C     
21   C        31.2958   63.3438  194.5919  C     
22   C        29.0730   62.8787  193.7654  C     
23   C        29.7866   60.4284  196.5945  C     
24   F        30.8590   60.2302  197.4300  F     
25   F        28.7111   60.7242  197.3962  F     
26   F        29.5424   59.2388  195.9605  F     
27   H        29.1280   64.0067  191.2230  H     
28   H        32.0470   67.6112  192.5471  H     
29   H        30.9182   67.7473  190.4293  H     
30   H        28.2577   64.0919  189.3401  H     
31   H        29.7286   67.8254  188.4448  H     
32   H        26.7033   64.6707  184.7104  H     
33   H        25.5110   65.5406  185.6726  H     
34   H        27.6094   63.5974  186.4978  H     
35   H        26.1838   64.1441  187.3926  H     
36   H        27.0939   66.9660  184.4663  H     
37   H        28.0683   61.3033  194.7057  H     
38   H        31.9516   62.0912  196.1452  H     
39   H        32.1729   63.8729  194.5859  H     
40   H        28.2778   63.0648  193.1509  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   19   23 1
    26   20   21 2
    27   23   24 1
    28   23   25 1
    29   23   26 1
    30    1   27 1
    31    4   28 1
    32    5   29 1
    33    9   30 1
    34   10   31 1
    35   11   32 1
    36   11   33 1
    37   12   34 1
    38   12   35 1
    39   15   36 1
    40   18   37 1
    41   20   38 1
    42   21   39 1
    43   22   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5173
  Crash		| -2.3925
  Polar		| 1.8501
  FragIndex	| 1
  FragRMSD	| 0.261