@<TRIPOS>MOLECULE
BindingDB_50077544
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.6854   42.3451   13.7127  N     
2    C        26.9887   43.1099   14.8033  C     
3    C        27.4595   43.3187   17.2238  C     
4    N        28.2357   43.5281   19.5800  N     
5    C        27.5941   44.7250   17.0879  C     
6    C        27.1460   42.5356   16.0897  C     
7    O        26.5307   42.8547   12.5199  O     
8    O        26.5321   41.1529   13.7769  O     
9    C        27.6240   42.6601   18.5479  C     
10   C        27.9128   45.5932   18.2556  C     
11   C        27.1598   44.5108   14.6876  C     
12   C        27.4618   45.3043   15.8078  C     
13   C        27.6798   44.8985   19.6294  C     
14   C        28.3198   45.6772   20.8044  C     
15   H        28.1153   43.0788   20.4901  H     
16   H        29.2379   43.5987   19.3873  H     
17   H        27.0398   41.5241   16.2071  H     
18   H        26.6470   42.3193   18.9000  H     
19   H        28.2706   41.7857   18.4444  H     
20   H        28.9595   45.8974   18.1646  H     
21   H        27.2937   46.4941   18.2212  H     
22   H        27.0654   44.9730   13.7802  H     
23   H        27.5779   46.3141   15.6839  H     
24   H        26.6024   44.8345   19.8181  H     
25   H        28.1111   45.1692   21.7487  H     
26   H        27.9064   46.6868   20.8569  H     
27   H        29.4031   45.7459   20.6802  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	| 6.8531
  Crash		| -0.1224
  Polar		| 2.3084
  FragIndex	| 1
  FragRMSD	| 0.048