@<TRIPOS>MOLECULE
BindingDB_30180
 36 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       237.0621   82.4334  184.3518  C     
2    C       235.7350   82.6604  183.9060  C     
3    N       235.5468   83.5964  182.9352  N     
4    C       236.5478   84.3129  182.3725  C     
5    C       237.8688   84.1128  182.7990  C     
6    C       238.1521   83.1616  183.8085  C     
7    C       239.4810   82.9375  184.2769  C     
8    C       241.1771   82.0497  185.3926  C     
9    N       239.8519   82.0007  185.1762  N     
10   C       240.6486   83.6211  183.9108  C     
11   C       243.5133   81.5876  186.2541  C     
12   C       241.9923   81.2169  186.2942  C     
13   C       241.7090   83.0652  184.6129  C     
14   C       243.0530   83.3699  184.6296  C     
15   N       243.8878   82.6822  185.3973  N     
16   O       243.5009   84.2764  183.9431  O     
17   C       234.5944   81.9775  184.4254  C     
18   C       233.4678   79.9379  185.2192  C     
19   C       232.2932   80.6805  185.4150  C     
20   N       232.2816   82.0027  185.1208  N     
21   C       233.3692   82.6582  184.6397  C     
22   C       234.6136   80.5903  184.7240  C     
23   H       237.2308   81.7647  185.1065  H     
24   H       236.3378   84.9933  181.6392  H     
25   H       238.6047   84.6689  182.3623  H     
26   H       239.2503   81.3733  185.6092  H     
27   H       240.7299   84.3970  183.2521  H     
28   H       243.8462   81.8391  187.2632  H     
29   H       244.0850   80.7153  185.9305  H     
30   H       241.6089   81.3427  187.3102  H     
31   H       241.8585   80.1703  186.0101  H     
32   H       244.8252   82.9317  185.3763  H     
33   H       233.4883   78.9358  185.4194  H     
34   H       231.4494   80.2312  185.7746  H     
35   H       233.2822   83.6603  184.4604  H     
36   H       235.4500   80.0293  184.5531  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   21   35 1
    39   22   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.0224
  Crash		| -0.4470
  Polar		| 0.0038
  FragIndex	| 1
  FragRMSD	| 1.336