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


@<TRIPOS>ATOM
1    C       239.1966   82.9971  184.0605  C     
2    C       240.5647   83.2599  183.8212  C     
3    N       240.9312   84.1258  182.8412  N     
4    C       240.0206   84.7577  182.0647  C     
5    C       238.6474   84.5214  182.2584  C     
6    C       238.2072   83.6379  183.2755  C     
7    C       236.8167   83.4159  183.4827  C     
8    C       234.6273   83.5926  183.1972  C     
9    N       235.8317   83.9852  182.7539  N     
10   C       236.1875   82.6126  184.4422  C     
11   C       232.1370   83.2263  183.4251  C     
12   C       233.3037   83.9518  182.6676  C     
13   C       234.8157   82.7330  184.2686  C     
14   C       233.7520   82.1695  184.9388  C     
15   N       232.5067   82.4104  184.5470  N     
16   O       233.9331   81.4364  185.9016  O     
17   C       241.5891   82.6015  184.5086  C     
18   C       243.3444   82.6398  186.2121  C     
19   C       243.6570   81.3015  185.9203  C     
20   C       242.9549   80.6142  184.9101  C     
21   C       241.9209   81.2592  184.2034  C     
22   C       242.3233   83.2937  185.4955  C     
23   F       241.2845   80.5992  183.2721  F     
24   H       238.9322   82.3335  184.7955  H     
25   H       240.3474   85.3959  181.3408  H     
26   H       237.9831   85.0000  181.6462  H     
27   H       235.9725   84.5807  181.9996  H     
28   H       236.6376   82.0258  185.1429  H     
29   H       231.4234   83.9714  183.7722  H     
30   H       231.6112   82.5717  182.7246  H     
31   H       233.1849   85.0364  182.7557  H     
32   H       233.2792   83.6946  181.6102  H     
33   H       231.7885   81.9791  185.0451  H     
34   H       243.8507   83.1345  186.9494  H     
35   H       244.3996   80.8253  186.4405  H     
36   H       243.1982   79.6444  184.6926  H     
37   H       242.1123   84.2684  185.7134  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	| 2.1197
  Crash		| -2.0182
  Polar		| 0.0011
  FragIndex	| 1
  FragRMSD	| 1.158