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


@<TRIPOS>ATOM
1    C       239.1904   82.9735  184.0177  C     
2    C       240.5531   83.2373  183.7696  C     
3    N       240.9119   84.1254  182.8163  N     
4    C       240.0052   84.7820  182.0609  C     
5    C       238.6329   84.5398  182.2513  C     
6    C       238.2002   83.6389  183.2552  C     
7    C       236.8115   83.4271  183.4827  C     
8    C       234.6262   83.5902  183.1970  C     
9    N       235.8263   83.9989  182.7599  N     
10   C       236.1912   82.6138  184.4382  C     
11   C       232.1420   83.1990  183.4174  C     
12   C       233.3005   83.9160  182.6475  C     
13   C       234.8189   82.7293  184.2676  C     
14   C       233.7600   82.1559  184.9346  C     
15   N       232.5151   82.3858  184.5427  N     
16   O       233.9467   81.4343  185.9012  O     
17   C       241.5705   82.6032  184.4789  C     
18   C       243.3305   82.6732  186.1766  C     
19   C       243.6673   81.3416  185.8770  C     
20   C       242.9531   80.6323  184.8909  C     
21   C       241.9047   81.2628  184.1919  C     
22   C       242.2885   83.3073  185.4727  C     
23   F       243.2633   79.3916  184.6236  F     
24   H       238.9336   82.3029  184.7459  H     
25   H       240.3285   85.4324  181.3456  H     
26   H       237.9658   85.0392  181.6567  H     
27   H       235.9646   84.5966  182.0077  H     
28   H       236.6487   82.0192  185.1310  H     
29   H       231.4366   83.9549  183.7718  H     
30   H       231.6010   82.5508  182.7237  H     
31   H       233.1714   84.9997  182.6895  H     
32   H       233.2940   83.6155  181.5972  H     
33   H       231.8020   81.9556  185.0378  H     
34   H       243.8317   83.1758  186.9122  H     
35   H       244.4268   80.8820  186.3883  H     
36   H       241.3798   80.7363  183.4920  H     
37   H       242.0552   84.2784  185.6945  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	| 1.8391
  Crash		| -2.0426
  Polar		| 0.0011
  FragIndex	| 1
  FragRMSD	| 1.153