@<TRIPOS>MOLECULE
BindingDB_50077543
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.6700   42.3532   13.7284  N     
2    C        26.9721   43.1193   14.8182  C     
3    C        27.4446   43.3295   17.2384  C     
4    N        28.2241   43.5400   19.5940  N     
5    C        27.5818   44.7349   17.1020  C     
6    C        27.1275   42.5456   16.1057  C     
7    O        26.5182   42.8613   12.5344  O     
8    O        26.5188   41.1610   13.7934  O     
9    C        27.6127   42.6708   18.5623  C     
10   C        27.9003   45.6038   18.2691  C     
11   C        27.1466   44.5196   14.7013  C     
12   C        27.4505   45.3134   15.8212  C     
13   C        27.6685   44.9104   19.6436  C     
14   C        28.3087   45.6915   20.8172  C     
15   H        28.1053   43.0914   20.5040  H     
16   H        29.2260   43.6097   19.4007  H     
17   H        27.0166   41.5350   16.2248  H     
18   H        26.6371   42.3259   18.9159  H     
19   H        28.2623   41.7983   18.4572  H     
20   H        28.9466   45.9097   18.1775  H     
21   H        27.2791   46.5035   18.2340  H     
22   H        27.0532   44.9815   13.7932  H     
23   H        27.5685   46.3230   15.6966  H     
24   H        26.5910   44.8459   19.8336  H     
25   H        28.0939   45.1890   21.7634  H     
26   H        27.9007   46.7039   20.8635  H     
27   H        29.3933   45.7534   20.6960  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    7 1
     3    1    8 2
     4    2    6 1
     5    2   11 2
     6    3    5 1
     7    3    6 2
     8    3    9 1
     9    4    9 1
    10    4   13 1
    11    5   10 1
    12    5   12 2
    13   10   13 1
    14   11   12 1
    15   13   14 1
    16    4   15 1
    17    4   16 1
    18    6   17 1
    19    9   18 1
    20    9   19 1
    21   10   20 1
    22   10   21 1
    23   11   22 1
    24   12   23 1
    25   13   24 1
    26   14   25 1
    27   14   26 1
    28   14   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8655
  Crash		| -0.1310
  Polar		| 2.3198
  FragIndex	| 1
  FragRMSD	| 0.056