@<TRIPOS>MOLECULE
BindingDB_11449
 48 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        34.4163  135.2407   35.3464  C     
2    C        35.0558  135.9753   34.3299  C     
3    C        35.7762  135.3299   33.3114  C     
4    C        35.8033  133.9065   33.3131  C     
5    C        35.1417  133.1665   34.3102  C     
6    C        34.4559  133.8299   35.3446  C     
7    N        36.3784  136.1265   32.3827  N     
8    C        37.3501  135.8405   31.5036  C     
9    C        38.3322  134.9415   31.7546  C     
10   C        39.2988  134.6468   30.7796  C     
11   C        38.4000  136.3467   29.4397  C     
12   C        37.1374  137.8854   28.7132  C     
13   N        39.3325  135.3816   29.6324  N     
14   N        37.4304  136.5652   30.3558  N     
15   N        36.6553  137.5091   29.9115  N     
16   N        38.2252  137.1703   28.4025  N     
17   N        32.4725  133.8243   37.3792  N     
18   S        33.6226  132.9072   36.5622  S     
19   O        32.8962  131.6420   35.9301  O     
20   O        34.7082  132.4570   37.6299  O     
21   C        41.0890  133.0614   30.0910  C     
22   C        41.4617  130.8027   31.3148  C     
23   C        40.8137  130.0453   30.1277  C     
24   C        39.7864  130.9314   29.3739  C     
25   C        40.4181  132.2760   28.9205  C     
26   C        42.0962  132.1454   30.8563  C     
27   N        40.1406  133.6121   31.0084  N     
28   H        33.9233  135.7420   36.0938  H     
29   H        35.0037  137.0031   34.3590  H     
30   H        36.2358  133.3793   32.5591  H     
31   H        35.1668  132.1462   34.2673  H     
32   H        36.0496  137.0449   32.3518  H     
33   H        38.3865  134.4812   32.6339  H     
34   H        36.7177  138.5976   28.1167  H     
35   H        32.1932  133.5814   38.2781  H     
36   H        32.0409  134.5680   36.9270  H     
37   H        41.6625  133.8875   29.6638  H     
38   H        40.7044  130.9915   32.0768  H     
39   H        42.2378  130.1715   31.7593  H     
40   H        41.5999  129.7222   29.4281  H     
41   H        40.3105  129.1448   30.4973  H     
42   H        39.4269  130.3896   28.4943  H     
43   H        38.9335  131.1268   30.0229  H     
44   H        39.6425  132.8835   28.4496  H     
45   H        41.1731  132.0745   28.1585  H     
46   H        42.9472  131.9264   30.2079  H     
47   H        42.4823  132.6745   31.7344  H     
48   H        40.0579  133.1705   31.8654  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   27 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 am
    22   18   19 2
    23   18   20 2
    24   21   25 1
    25   21   26 1
    26   21   27 1
    27   22   23 1
    28   22   26 1
    29   23   24 1
    30   24   25 1
    31    1   28 1
    32    2   29 1
    33    4   30 1
    34    5   31 1
    35    7   32 1
    36    9   33 1
    37   12   34 1
    38   17   35 1
    39   17   36 1
    40   21   37 1
    41   22   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   43 1
    47   25   44 1
    48   25   45 1
    49   26   46 1
    50   26   47 1
    51   27   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7723
  Crash		| -1.6003
  Polar		| 2.5464
  FragIndex	| 1
  FragRMSD	| 0.913