@<TRIPOS>MOLECULE
BindingDB_11448
 47 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        35.4631  132.8188   34.1222  C     
2    C        35.9921  133.6924   33.1438  C     
3    C        35.7704  135.0994   33.2380  C     
4    C        34.9887  135.5808   34.3001  C     
5    C        34.4797  134.7085   35.2831  C     
6    C        34.7250  133.3199   35.2071  C     
7    N        36.2784  136.0108   32.3569  N     
8    C        37.3037  135.9148   31.5031  C     
9    C        38.4095  135.1664   31.7559  C     
10   C        39.4485  135.1123   30.8263  C     
11   C        38.3490  136.6747   29.5134  C     
12   C        36.9119  138.0248   28.7689  C     
13   N        39.4165  135.8666   29.7318  N     
14   N        37.3208  136.6954   30.3824  N     
15   N        36.4372  137.5191   29.9231  N     
16   N        38.1113  137.5079   28.4942  N     
17   N        35.0021  130.8406   36.6620  N     
18   S        34.1057  132.2380   36.4211  S     
19   O        33.6854  132.8621   37.8220  O     
20   O        32.7425  131.7067   35.7878  O     
21   O        40.5002  134.3007   30.9812  O     
22   C        40.2350  132.8757   30.8905  C     
23   C        41.3202  130.5950   31.1696  C     
24   C        40.6939  130.0917   29.8428  C     
25   C        39.4148  130.8801   29.4615  C     
26   C        39.6180  132.4221   29.5249  C     
27   C        41.5673  132.1219   31.1339  C     
28   H        35.6281  131.8181   34.0171  H     
29   H        36.4890  133.2921   32.3500  H     
30   H        34.7892  136.5926   34.3811  H     
31   H        33.9335  135.0933   36.0603  H     
32   H        35.8273  136.8884   32.3819  H     
33   H        38.5056  134.6752   32.6108  H     
34   H        36.4236  138.6951   28.1833  H     
35   H        34.6138  129.9777   36.4380  H     
36   H        35.9476  130.9094   36.9036  H     
37   H        39.5432  132.5860   31.6921  H     
38   H        40.6550  130.3491   32.0053  H     
39   H        42.2688  130.0713   31.3425  H     
40   H        41.4285  130.1829   29.0389  H     
41   H        40.4372  129.0329   29.9445  H     
42   H        39.1043  130.6026   28.4458  H     
43   H        38.6059  130.6052   30.1408  H     
44   H        38.6429  132.8934   29.3844  H     
45   H        40.2637  132.7434   28.6981  H     
46   H        42.2931  132.3656   30.3486  H     
47   H        42.0001  132.4356   32.0833  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   21 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   22 1
    25   22   26 1
    26   22   27 1
    27   23   24 1
    28   23   27 1
    29   24   25 1
    30   25   26 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   22   37 1
    41   23   38 1
    42   23   39 1
    43   24   40 1
    44   24   41 1
    45   25   42 1
    46   25   43 1
    47   26   44 1
    48   26   45 1
    49   27   46 1
    50   27   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9104
  Crash		| -0.9817
  Polar		| 2.7447
  FragIndex	| 1
  FragRMSD	| 0.648