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


@<TRIPOS>ATOM
1    C        18.1936   16.0518   32.9100  C     
2    C        18.4323   18.3879   32.6772  C     
3    N        17.5420   18.4144   31.6502  N     
4    N        18.7390   17.2078   33.2855  N     
5    O        18.5327   15.0421   33.5058  O     
6    N        19.0289   19.5181   33.0846  N     
7    C        17.2774   16.0208   31.8533  C     
8    C        16.9794   17.2423   31.2482  C     
9    C        16.0779   16.9970   30.2357  C     
10   C        15.8386   15.6227   30.2255  C     
11   C        14.8876   15.0377   29.2554  C     
12   N        16.5749   15.0398   31.2217  N     
13   C        16.6189   13.6372   31.5703  C     
14   C        15.9095   13.3242   32.8454  C     
15   C        13.8179   13.1073   34.1133  C     
16   C        14.4994   13.4048   32.9106  C     
17   C        16.6013   12.9311   34.0049  C     
18   C        15.9185   12.6188   35.1971  C     
19   C        14.5069   12.6902   35.2817  C     
20   C        13.8212   12.3939   36.4694  C     
21   O        12.7060   12.8686   36.6695  O     
22   N        14.3411   11.5847   37.3863  N     
23   C        13.8369   11.2544   38.7036  C     
24   C        13.9405   12.4718   39.6748  C     
25   C        13.8543   12.1565   41.1937  C     
26   C        14.9882   11.3735   41.7219  C     
27   O        16.2648   11.7769   41.5288  O     
28   O        14.7730   10.2677   42.4666  O     
29   C        12.4950   10.6314   38.6064  C     
30   O        11.4911   10.8988   39.4711  O     
31   O        12.2197    9.8166   37.5567  O     
32   H        19.3902   17.2195   34.0080  H     
33   H        19.6764   19.4809   33.7995  H     
34   H        18.8410   20.3585   32.6406  H     
35   H        15.6742   17.6993   29.6120  H     
36   H        13.8978   15.4658   29.4235  H     
37   H        14.8049   13.9581   29.3442  H     
38   H        15.2087   15.2717   28.2385  H     
39   H        16.1765   13.0201   30.7897  H     
40   H        17.6717   13.3263   31.6044  H     
41   H        12.7950   13.1782   34.1082  H     
42   H        13.9530   13.6820   32.0929  H     
43   H        17.6291   12.8701   33.9942  H     
44   H        16.4702   12.3544   36.0176  H     
45   H        15.1967   11.1782   37.1665  H     
46   H        14.5036   10.4826   39.0759  H     
47   H        14.8909   12.9893   39.4954  H     
48   H        13.1420   13.1837   39.4397  H     
49   H        13.8223   13.1059   41.7387  H     
50   H        12.9182   11.6294   41.4000  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	| 7.1163
  Crash		| -0.6999
  Polar		| 4.6344
  FragIndex	| 1
  FragRMSD	| 0.801