@<TRIPOS>MOLECULE
BindingDB_30194
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.2704   62.7468  193.6150  C     
2    C        29.7469   62.1237  194.7935  C     
3    N        30.9593   62.5033  195.2753  N     
4    C        31.7217   63.4572  194.6949  C     
5    C        31.2810   64.1031  193.5312  C     
6    C        30.0339   63.7505  192.9664  C     
7    C        29.5509   64.3731  191.7794  C     
8    C        28.1882   64.8698  190.1054  C     
9    N        28.3564   64.1183  191.2039  N     
10   C        30.1833   65.3281  190.9713  C     
11   C        27.1605   66.0096  188.1007  C     
12   C        27.0476   64.8699  189.1670  C     
13   C        29.3285   65.6368  189.9204  C     
14   C        29.4506   66.4800  188.8401  C     
15   N        28.4481   66.6417  187.9848  N     
16   O        30.4826   67.1030  188.6581  O     
17   C        29.0235   61.1170  195.4865  C     
18   C        26.9159   60.2009  196.3614  C     
19   C        27.6029   59.0859  196.8747  C     
20   C        28.9970   58.9879  196.7109  C     
21   C        29.7009   59.9975  196.0287  C     
22   C        27.6210   61.2066  195.6734  C     
23   F        26.9506   58.1517  197.5153  F     
24   H        28.3778   62.4433  193.2189  H     
25   H        32.6174   63.7072  195.0992  H     
26   H        31.8768   64.8199  193.1130  H     
27   H        27.6989   63.4869  191.5397  H     
28   H        31.1088   65.7358  191.1039  H     
29   H        26.8932   65.6107  187.1199  H     
30   H        26.4402   66.7957  188.3367  H     
31   H        27.0177   63.8973  188.6662  H     
32   H        26.1191   64.9864  189.7327  H     
33   H        28.5735   67.2737  187.2588  H     
34   H        25.9028   60.2812  196.4906  H     
35   H        29.4992   58.1788  197.0864  H     
36   H        30.7103   59.8882  195.9062  H     
37   H        27.0979   62.0156  195.3270  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    1   24 1
    28    4   25 1
    29    5   26 1
    30    9   27 1
    31   10   28 1
    32   11   29 1
    33   11   30 1
    34   12   31 1
    35   12   32 1
    36   15   33 1
    37   18   34 1
    38   20   35 1
    39   21   36 1
    40   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.8629
  Crash		| -2.3770
  Polar		| 0.0001
  FragIndex	| 1
  FragRMSD	| 1.251