@<TRIPOS>MOLECULE
BindingDB_30193
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.3119   62.7539  193.6037  C     
2    C        29.8090   62.1142  194.7659  C     
3    N        31.0298   62.4949  195.2337  N     
4    C        31.7809   63.4521  194.6439  C     
5    C        31.3225   64.0968  193.4874  C     
6    C        30.0638   63.7580  192.9449  C     
7    C        29.5707   64.4000  191.7695  C     
8    C        28.1970   64.9509  190.1184  C     
9    N        28.3571   64.1924  191.2143  N     
10   C        30.2225   65.3353  190.9564  C     
11   C        27.2505   66.0114  188.0130  C     
12   C        27.0280   65.0325  189.2183  C     
13   C        29.3593   65.6810  189.9231  C     
14   C        29.4948   66.5388  188.8561  C     
15   N        28.5169   66.6930  187.9743  N     
16   O        30.5276   67.1687  188.6999  O     
17   C        29.0922   61.1047  195.4634  C     
18   C        26.9933   60.2090  196.3694  C     
19   C        27.6782   59.0904  196.8692  C     
20   C        29.0668   58.9771  196.6901  C     
21   C        29.7691   59.9830  196.0003  C     
22   C        27.6935   61.2087  195.6759  C     
23   F        29.6970   57.9289  197.1521  F     
24   H        28.4100   62.4648  193.2234  H     
25   H        32.6827   63.7030  195.0359  H     
26   H        31.9167   64.8097  193.0594  H     
27   H        27.6865   63.5830  191.5564  H     
28   H        31.1677   65.7051  191.0723  H     
29   H        27.1577   65.4555  187.0764  H     
30   H        26.4682   66.7746  188.0174  H     
31   H        26.8098   64.0306  188.8379  H     
32   H        26.1652   65.3636  189.8021  H     
33   H        28.6662   67.3094  187.2386  H     
34   H        25.9831   60.2952  196.5091  H     
35   H        27.1610   58.3631  197.3720  H     
36   H        30.7802   59.8707  195.8646  H     
37   H        27.1699   62.0232  195.3422  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   20   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   21   36 1
    40   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.6457
  Crash		| -2.5391
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.230