@<TRIPOS>MOLECULE
BindingDB_5537
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.2783   45.5633   51.3904  C     
2    C         7.9502   43.8057   49.9019  C     
3    N         9.2472   44.2148   49.9647  N     
4    N         6.9955   44.4817   50.6098  N     
5    C         8.6198   45.9727   51.4697  C     
6    C         9.5794   45.2777   50.7364  C     
7    C        10.5557   46.8155   51.9010  C     
8    N         9.2405   46.9253   52.1812  N     
9    N        10.7644   45.8304   51.0114  N     
10   O         6.3377   46.2208   52.1378  O     
11   N         7.6728   42.7531   49.1047  N     
12   C         5.0211   46.4183   51.5787  C     
13   C         4.0057   45.2678   51.8746  C     
14   C         2.1719   46.0014   54.1818  C     
15   C         3.6500   45.5948   54.4137  C     
16   C         4.1535   44.6461   53.2983  C     
17   C         2.5210   45.7047   51.6391  C     
18   C         1.9411   46.6039   52.7691  C     
19   C         6.4526   42.1980   48.8632  C     
20   C         4.2814   41.3493   49.6054  C     
21   C         3.9474   41.0368   48.2736  C     
22   C         4.8590   41.2867   47.2332  C     
23   C         6.1152   41.8517   47.5370  C     
24   C         5.5272   41.9337   49.8981  C     
25   O         4.5158   40.9514   45.9510  O     
26   C         4.1884   42.0820   45.1218  C     
27   H        11.2878   47.3794   52.3373  H     
28   H        11.6204   45.5391   50.6605  H     
29   H         8.4064   42.4190   48.5701  H     
30   H         4.6544   47.3375   52.0357  H     
31   H         5.0707   46.6035   50.5001  H     
32   H         4.2251   44.4705   51.1576  H     
33   H         1.5347   45.1226   54.3083  H     
34   H         1.8813   46.7366   54.9350  H     
35   H         4.2772   46.4892   54.4443  H     
36   H         3.7374   45.0923   55.3815  H     
37   H         3.5723   43.7205   53.3414  H     
38   H         5.1944   44.3748   53.4897  H     
39   H         2.4346   46.2317   50.6842  H     
40   H         1.9003   44.8072   51.5679  H     
41   H         0.8666   46.7330   52.6132  H     
42   H         2.3971   47.5943   52.7207  H     
43   H         3.6112   41.1453   50.3497  H     
44   H         3.0405   40.6170   48.0575  H     
45   H         6.7815   42.0322   46.7824  H     
46   H         5.7725   42.1271   50.8744  H     
47   H         3.4134   42.7085   45.5773  H     
48   H         3.8053   41.7151   44.1670  H     
49   H         5.0797   42.6840   44.9233  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   10 1
     4    2    3 1
     5    2    4 2
     6    2   11 1
     7    3    6 2
     8    5    6 1
     9    5    8 1
    10    6    9 1
    11    7    8 2
    12    7    9 1
    13   10   12 1
    14   11   19 1
    15   12   13 1
    16   13   16 1
    17   13   17 1
    18   14   15 1
    19   14   18 1
    20   15   16 1
    21   17   18 1
    22   19   23 1
    23   19   24 2
    24   20   21 2
    25   20   24 1
    26   21   22 1
    27   22   23 2
    28   22   25 1
    29   25   26 1
    30    7   27 1
    31    9   28 1
    32   11   29 1
    33   12   30 1
    34   12   31 1
    35   13   32 1
    36   14   33 1
    37   14   34 1
    38   15   35 1
    39   15   36 1
    40   16   37 1
    41   16   38 1
    42   17   39 1
    43   17   40 1
    44   18   41 1
    45   18   42 1
    46   20   43 1
    47   21   44 1
    48   23   45 1
    49   24   46 1
    50   26   47 1
    51   26   48 1
    52   26   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5439
  Crash		| -0.5548
  Polar		| 2.9160
  FragIndex	| 1
  FragRMSD	| 0.526