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


@<TRIPOS>ATOM
1    C        15.1803   18.0027   32.9518  C     
2    C        13.5326   19.5953   32.3842  C     
3    N        13.4506   19.1156   31.1152  N     
4    N        14.3923   19.0332   33.2782  N     
5    O        15.9323   17.5481   33.8031  O     
6    N        12.7417   20.6204   32.7341  N     
7    C        15.1318   17.4626   31.6671  C     
8    C        14.2467   18.0654   30.7705  C     
9    C        14.3255   17.3793   29.5797  C     
10   C        15.2676   16.3651   29.7679  C     
11   C        15.5863   15.4008   28.7080  C     
12   N        15.7555   16.4300   31.0375  N     
13   C        16.7307   15.5521   31.6334  C     
14   C        16.1509   14.4909   32.5118  C     
15   C        16.3966   12.8999   34.3772  C     
16   C        16.9482   13.8311   33.4677  C     
17   C        14.7789   14.1239   32.4431  C     
18   C        14.2243   13.2044   33.3508  C     
19   C        15.0115   12.5877   34.3532  C     
20   C        14.4237   11.7354   35.3088  C     
21   O        13.2797   11.3345   35.1256  O     
22   N        15.0380   11.4032   36.4449  N     
23   C        14.5719   10.5967   37.5452  C     
24   C        14.2601   11.4585   38.8093  C     
25   C        13.7603   12.9228   38.6033  C     
26   C        14.8400   13.8432   38.1860  C     
27   O        16.0440   13.7658   38.7942  O     
28   O        14.6774   14.7087   37.1562  O     
29   C        13.5131    9.5934   37.2500  C     
30   O        12.3624    9.9649   36.6586  O     
31   O        13.8627    8.2918   37.1176  O     
32   H        14.4371   19.3918   34.1808  H     
33   H        12.7584   20.9553   33.6375  H     
34   H        12.1296   21.0119   32.0880  H     
35   H        13.7875   17.5818   28.7313  H     
36   H        14.7190   15.2425   28.0557  H     
37   H        15.8761   14.4266   29.1123  H     
38   H        16.4013   15.8033   28.1080  H     
39   H        17.3522   15.0592   30.8828  H     
40   H        17.4241   16.1752   32.2143  H     
41   H        17.0128   12.5060   35.0924  H     
42   H        17.9499   14.0425   33.5532  H     
43   H        14.1690   14.5563   31.7495  H     
44   H        13.2237   13.0103   33.2678  H     
45   H        15.9330   11.7537   36.5553  H     
46   H        15.4436    9.9908   37.8204  H     
47   H        13.5009   10.9307   39.3901  H     
48   H        15.1494   11.4688   39.4358  H     
49   H        12.9410   12.9703   37.8740  H     
50   H        13.3656   13.2851   39.5650  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	| 4.0930
  Crash		| -1.2886
  Polar		| 1.4598
  FragIndex	| 1
  FragRMSD	| 0.813