@<TRIPOS>MOLECULE
BindingDB_30192
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.2266   62.4842  193.6709  C     
2    C        29.5134   61.6911  194.8057  C     
3    N        30.6385   61.9535  195.5168  N     
4    C        31.5127   62.9246  195.1806  C     
5    C        31.2819   63.7211  194.0495  C     
6    C        30.1169   63.5139  193.2748  C     
7    C        29.8623   64.3324  192.1421  C     
8    C        30.1562   65.8518  190.5698  C     
9    N        30.7050   65.2561  191.6376  N     
10   C        28.7190   64.3391  191.3359  C     
11   C        29.8118   67.2883  188.5224  C     
12   C        30.7527   66.8757  189.7045  C     
13   C        28.9027   65.3051  190.3556  C     
14   C        28.0976   65.7202  189.3169  C     
15   N        28.5240   66.6487  188.4709  N     
16   O        26.9854   65.2425  189.1581  O     
17   C        28.6560   60.6595  195.2578  C     
18   C        27.2981   58.6673  194.7982  C     
19   C        27.0320   58.5285  196.1735  C     
20   C        27.5550   59.4587  197.0893  C     
21   C        28.3474   60.5272  196.6366  C     
22   C        28.1061   59.7249  194.3456  C     
23   F        28.7484   61.4000  197.5250  F     
24   H        28.3617   62.3048  193.1514  H     
25   H        32.3236   63.0750  195.7704  H     
26   H        31.9722   64.4333  193.8020  H     
27   H        31.6019   65.4476  191.9684  H     
28   H        27.8936   63.7494  191.4315  H     
29   H        29.6354   68.3630  188.5676  H     
30   H        30.3170   67.0764  187.5769  H     
31   H        30.9875   67.7491  190.3231  H     
32   H        31.6887   66.4679  189.3120  H     
33   H        27.9279   66.9005  187.7487  H     
34   H        26.9004   57.9969  194.1325  H     
35   H        26.4364   57.7655  196.5070  H     
36   H        27.3394   59.3616  198.0866  H     
37   H        28.3168   59.7826  193.3459  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   20   21 2
    26   21   23 1
    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   19   35 1
    39   20   36 1
    40   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.0222
  Crash		| -3.1474
  Polar		| 0.0001
  FragIndex	| 1
  FragRMSD	| 1.298