@<TRIPOS>MOLECULE
BindingDB_14797
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.3860   45.3043   11.6466  C     
2    C        14.1785   45.4467   10.5074  C     
3    N        14.2033   45.0474   12.6759  N     
4    N        15.4389   44.9787   12.2865  N     
5    C        11.9261   45.4350   11.8137  C     
6    C        13.7428   45.8527    9.2193  C     
7    O        14.6487   46.2437    8.2915  O     
8    O        12.4173   46.0053    8.9656  O     
9    C        11.7799   46.5560    7.8057  C     
10   C        12.0450   45.7615    6.5083  C     
11   C        16.4691   44.8226   13.1903  C     
12   C        17.6567   45.5773   13.0048  C     
13   C        18.7332   45.4698   13.9037  C     
14   C        18.6442   44.6157   15.0114  C     
15   C        17.4660   43.8829   15.2350  C     
16   C        16.3740   43.9881   14.3446  C     
17   C        15.4853   45.1851   10.9440  C     
18   C        16.6802   45.1172   10.0729  C     
19   Cl       14.9972   43.0574   14.7226  Cl    
20   H        11.6099   46.4469   11.5478  H     
21   H        11.6403   45.2412   12.8496  H     
22   H        11.4189   44.7099   11.1728  H     
23   H        10.7073   46.5668    8.0046  H     
24   H        12.1064   47.5891    7.6767  H     
25   H        13.0938   45.8411    6.2197  H     
26   H        11.4349   46.1686    5.7022  H     
27   H        11.7936   44.7104    6.6532  H     
28   H        17.7476   46.1958   12.1952  H     
29   H        19.5821   46.0170   13.7435  H     
30   H        19.4342   44.5351   15.6571  H     
31   H        17.4125   43.2628   16.0500  H     
32   H        16.5026   44.4238    9.2532  H     
33   H        17.5587   44.7821   10.6314  H     
34   H        16.8892   46.1004    9.6599  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   15   16 2
    19   16   19 1
    20   17   18 1
    21    5   20 1
    22    5   21 1
    23    5   22 1
    24    9   23 1
    25    9   24 1
    26   10   25 1
    27   10   26 1
    28   10   27 1
    29   12   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0682
  Crash		| -1.0527
  Polar		| 1.1720
  FragIndex	| 1
  FragRMSD	| 0.297