@<TRIPOS>MOLECULE
BindingDB_50077538
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.6594   42.3038   13.6929  N     
2    C        26.9772   43.0620   14.7824  C     
3    C        27.3455   43.2744   17.2196  C     
4    N        27.4241   43.6213   19.6814  N     
5    C        27.6735   44.6448   17.0578  C     
6    C        27.0197   42.5005   16.0855  C     
7    O        26.6010   42.7967   12.4864  O     
8    O        26.4136   41.1283   13.7728  O     
9    C        27.3456   42.6431   18.5689  C     
10   C        28.0758   45.4895   18.2163  C     
11   C        27.2787   44.4407   14.6526  C     
12   C        27.6228   45.2198   15.7681  C     
13   C        28.4308   44.6798   19.4922  C     
14   C        28.5065   45.5550   20.7678  C     
15   H        26.5123   44.0658   19.7828  H     
16   H        27.6508   43.1262   20.5493  H     
17   H        26.7942   41.5102   16.2152  H     
18   H        26.4162   42.0907   18.7065  H     
19   H        28.1748   41.9312   18.6364  H     
20   H        28.9633   46.0610   17.9430  H     
21   H        27.2546   46.1847   18.4255  H     
22   H        27.2702   44.8905   13.7337  H     
23   H        27.8688   46.2056   15.6319  H     
24   H        29.4100   44.2090   19.3589  H     
25   H        27.5430   46.0300   20.9709  H     
26   H        29.2671   46.3281   20.6569  H     
27   H        28.7694   44.9314   21.6248  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	| 6.4461
  Crash		| -0.2829
  Polar		| 2.3710
  FragIndex	| 1
  FragRMSD	| 0.348