@<TRIPOS>MOLECULE
BindingDB_20676
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.4075   16.3750   32.8428  C     
2    C        18.5162   18.7138   32.6050  C     
3    N        17.7061   18.6823   31.5091  N     
4    N        18.8457   17.5624   33.2515  N     
5    O        18.7825   15.3867   33.4594  O     
6    N        19.0153   19.8784   33.0495  N     
7    C        17.5731   16.2774   31.7268  C     
8    C        17.2488   17.4740   31.0805  C     
9    C        16.4414   17.1684   30.0037  C     
10   C        16.2739   15.7813   29.9972  C     
11   C        15.4306   15.1368   28.9661  C     
12   N        16.9698   15.2544   31.0499  N     
13   C        17.0427   13.8634   31.4350  C     
14   C        16.2264   13.5943   32.6492  C     
15   C        14.0497   13.5030   33.7731  C     
16   C        14.8208   13.6959   32.6156  C     
17   C        16.8412   13.2547   33.8789  C     
18   C        16.0747   13.0789   35.0389  C     
19   C        14.6595   13.2230   35.0214  C     
20   C        13.9111   13.0768   36.1788  C     
21   O        12.9261   12.3295   36.1696  O     
22   N        14.2851   13.6453   37.3234  N     
23   C        13.6897   13.4726   38.6224  C     
24   C        13.3831   11.9764   38.9480  C     
25   C        14.5152   10.9690   38.5759  C     
26   C        13.9985    9.6197   38.2678  C     
27   O        14.4972    8.5253   38.8895  O     
28   O        13.1831    9.4335   37.2074  O     
29   C        14.5600   14.1102   39.6342  C     
30   O        15.8707   13.7972   39.7197  O     
31   O        14.0910   15.0956   40.4329  O     
32   H        19.4297   17.6171   34.0252  H     
33   H        19.6018   19.8715   33.8264  H     
34   H        18.7983   20.7058   32.5953  H     
35   H        16.0470   17.8450   29.3474  H     
36   H        14.4141   15.5293   29.0383  H     
37   H        15.3862   14.0544   29.0702  H     
38   H        15.8257   15.3737   27.9780  H     
39   H        16.6882   13.2001   30.6488  H     
40   H        18.0963   13.5940   31.5806  H     
41   H        13.0371   13.6118   33.7036  H     
42   H        14.3486   13.9182   31.7358  H     
43   H        17.8560   13.1393   33.9402  H     
44   H        16.5607   12.8372   35.9086  H     
45   H        15.0461   14.2447   37.2822  H     
46   H        12.7329   14.0033   38.6339  H     
47   H        13.1546   11.8724   40.0154  H     
48   H        12.4723   11.6960   38.4051  H     
49   H        15.0548   11.3173   37.6919  H     
50   H        15.2282   10.8985   39.4078  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1    7 1
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    3    8 1
     8    7    8 2
     9    7   12 1
    10    8    9 1
    11    9   10 2
    12   10   11 1
    13   10   12 1
    14   12   13 1
    15   13   14 1
    16   14   16 2
    17   14   17 1
    18   15   16 1
    19   15   19 2
    20   17   18 2
    21   18   19 1
    22   19   20 1
    23   20   21 2
    24   20   22 am
    25   22   23 1
    26   23   24 1
    27   23   29 1
    28   24   25 1
    29   25   26 1
    30   26   27 2
    31   26   28 1
    32   29   30 2
    33   29   31 1
    34    4   32 1
    35    6   33 1
    36    6   34 1
    37    9   35 1
    38   11   36 1
    39   11   37 1
    40   11   38 1
    41   13   39 1
    42   13   40 1
    43   15   41 1
    44   16   42 1
    45   17   43 1
    46   18   44 1
    47   22   45 1
    48   23   46 1
    49   24   47 1
    50   24   48 1
    51   25   49 1
    52   25   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5023
  Crash		| -0.8118
  Polar		| 4.3182
  FragIndex	| 1
  FragRMSD	| 0.186