@<TRIPOS>MOLECULE
BindingDB_11447
 50 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        34.4189  135.3956   35.3612  C     
2    C        35.0510  136.1795   34.3785  C     
3    C        35.8579  135.5835   33.3865  C     
4    C        36.0095  134.1760   33.4014  C     
5    C        35.3309  133.3872   34.3511  C     
6    C        34.5205  133.9905   35.3368  C     
7    N        36.4204  136.4061   32.4618  N     
8    C        37.4139  136.1651   31.5981  C     
9    C        38.5202  135.4602   31.9410  C     
10   C        39.5208  135.2583   31.0211  C     
11   C        38.3804  136.5573   29.4794  C     
12   C        36.9296  137.8099   28.5897  C     
13   N        39.4562  135.8073   29.8112  N     
14   N        37.3860  136.7460   30.3744  N     
15   N        36.4929  137.5128   29.8272  N     
16   N        38.1099  137.2206   28.3528  N     
17   N        32.4063  133.8672   37.2640  N     
18   S        33.6343  133.0191   36.4866  S     
19   O        32.9833  131.7566   35.7682  O     
20   O        34.6563  132.5384   37.6039  O     
21   C        40.8795  133.3371   30.7148  C     
22   C        39.9925  132.1394   31.1926  C     
23   C        38.5797  132.0644   30.5223  C     
24   C        38.6231  131.5670   29.0543  C     
25   C        39.3683  130.2153   28.9531  C     
26   C        40.7888  130.2856   29.5673  C     
27   C        40.7259  130.7670   31.0401  C     
28   O        40.6051  134.5750   31.3958  O     
29   H        33.8729  135.8672   36.0852  H     
30   H        34.9419  137.1973   34.4070  H     
31   H        36.5658  133.7069   32.6829  H     
32   H        35.4178  132.3694   34.3035  H     
33   H        36.0182  137.2899   32.4111  H     
34   H        38.6333  135.1098   32.8641  H     
35   H        36.4403  138.4060   27.9226  H     
36   H        32.0798  133.5652   38.1277  H     
37   H        31.9266  134.5603   36.7826  H     
38   H        41.9208  133.1259   30.9581  H     
39   H        40.8307  133.4558   29.6300  H     
40   H        39.8274  132.2885   32.2647  H     
41   H        37.9558  131.3695   31.0962  H     
42   H        38.0799  133.0333   30.5506  H     
43   H        37.6030  131.4448   28.6813  H     
44   H        39.1159  132.3078   28.4206  H     
45   H        38.7909  129.4491   29.4762  H     
46   H        39.4350  129.9259   27.9043  H     
47   H        41.2527  129.2962   29.5255  H     
48   H        41.4130  130.9681   28.9844  H     
49   H        41.7414  130.8277   31.4443  H     
50   H        40.1967  130.0108   31.6289  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   28 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   21   28 1
    26   22   23 1
    27   22   27 1
    28   23   24 1
    29   24   25 1
    30   25   26 1
    31   26   27 1
    32    1   29 1
    33    2   30 1
    34    4   31 1
    35    5   32 1
    36    7   33 1
    37    9   34 1
    38   12   35 1
    39   17   36 1
    40   17   37 1
    41   21   38 1
    42   21   39 1
    43   22   40 1
    44   23   41 1
    45   23   42 1
    46   24   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   27   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3875
  Crash		| -2.4613
  Polar		| 2.9184
  FragIndex	| 1
  FragRMSD	| 1.119