@<TRIPOS>MOLECULE
BindingDB_24632
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        26.8000   31.8761   27.8063  C     
2    C        25.7812   32.3969   28.5914  C     
3    C        26.4888   30.5287   27.6978  C     
4    C        26.5746   28.3287   27.0265  C     
5    C        24.8098   29.0385   28.4555  C     
6    C        25.4225   28.0528   27.7393  C     
7    N        27.0984   29.5448   26.9973  N     
8    Cl       27.3609   27.1466   26.1547  Cl    
9    N        25.3606   30.2836   28.4014  N     
10   N        24.9460   31.3977   28.9317  N     
11   C        27.8159   32.4651   27.2565  C     
12   N        28.7223   32.9703   26.7604  N     
13   N        23.7205   28.8907   29.1774  N     
14   C        22.9089   27.7557   29.3869  C     
15   C        22.2958   27.7958   30.8147  C     
16   C        21.7774   27.7129   28.3183  C     
17   H        25.6701   33.3779   28.8534  H     
18   H        25.0385   27.1401   27.7019  H     
19   H        23.3586   29.6799   29.5254  H     
20   H        23.4981   26.8413   29.3195  H     
21   H        23.0927   27.8190   31.5635  H     
22   H        21.6946   26.9000   30.9913  H     
23   H        21.6584   28.6713   30.9574  H     
24   H        21.1408   28.5980   28.3831  H     
25   H        21.1535   26.8269   28.4622  H     
26   H        22.2076   27.6669   27.3131  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1   11 1
     4    2   10 2
     5    3    7 1
     6    3    9 1
     7    4    6 1
     8    4    7 2
     9    4    8 1
    10    5    6 2
    11    5    9 1
    12    5   13 1
    13    9   10 1
    14   11   12 3
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18    2   17 1
    19    6   18 1
    20   13   19 1
    21   14   20 1
    22   15   21 1
    23   15   22 1
    24   15   23 1
    25   16   24 1
    26   16   25 1
    27   16   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4398
  Crash		| -0.8627
  Polar		| 2.9953
  FragIndex	| 1
  FragRMSD	| 0.373