@<TRIPOS>MOLECULE
BindingDB_30178
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       235.8042   82.8725  183.8615  C     
2    C       236.6965   83.9288  183.5483  C     
3    N       236.1663   85.1399  183.2263  N     
4    C       234.8390   85.3953  183.1919  C     
5    C       233.9298   84.3698  183.4923  C     
6    C       234.3997   83.0752  183.8318  C     
7    C       233.5080   82.0011  184.1303  C     
8    C       232.7866   80.0014  184.7627  C     
9    N       233.8697   80.7699  184.5571  N     
10   C       232.1101   81.9977  184.0492  C     
11   C       231.2503   78.0820  185.3877  C     
12   C       232.7209   78.6042  185.2291  C     
13   C       231.6596   80.7467  184.4506  C     
14   C       230.3911   80.2189  184.5461  C     
15   N       230.2020   78.9840  184.9907  N     
16   O       229.4169   80.8750  184.2065  O     
17   C       238.1133   83.7894  183.5472  C     
18   C       240.3045   84.3646  182.5894  C     
19   C       240.9434   83.5510  183.5404  C     
20   C       240.1795   82.8615  184.4985  C     
21   C       238.7765   82.9751  184.4983  C     
22   C       238.9028   84.4825  182.5949  C     
23   H       236.1874   81.9460  184.0768  H     
24   H       234.5068   86.3298  182.9544  H     
25   H       232.9350   84.5871  183.4613  H     
26   H       234.7842   80.4786  184.7030  H     
27   H       231.5041   82.7622  183.7457  H     
28   H       231.1317   77.1661  184.8048  H     
29   H       231.0712   77.8259  186.4363  H     
30   H       233.2588   77.9773  184.5101  H     
31   H       233.2374   78.5370  186.1899  H     
32   H       229.2891   78.6601  185.0555  H     
33   H       240.8565   84.8594  181.8845  H     
34   H       241.9610   83.4584  183.5320  H     
35   H       240.6456   82.2831  185.2012  H     
36   H       238.2469   82.4768  185.2162  H     
37   H       238.4613   85.0559  181.8739  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    1   23 1
    27    4   24 1
    28    5   25 1
    29    9   26 1
    30   10   27 1
    31   11   28 1
    32   11   29 1
    33   12   30 1
    34   12   31 1
    35   15   32 1
    36   18   33 1
    37   19   34 1
    38   20   35 1
    39   21   36 1
    40   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1668
  Crash		| -0.3822
  Polar		| 2.4552
  FragIndex	| 1
  FragRMSD	| 0.410