@<TRIPOS>MOLECULE
BindingDB_50029107
 22 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.4279   43.9680   17.6430  C     
2    C        26.7992   43.4189   16.4958  C     
3    N        27.9965   43.9461   20.0746  N     
4    C        27.9598   45.2882   17.5837  C     
5    C        27.5598   43.1695   18.8975  C     
6    Cl       26.1796   41.8382   16.4572  Cl    
7    C        27.1672   45.5006   15.2787  C     
8    C        29.1159   44.8729   19.8154  C     
9    C        27.7970   46.0521   16.4063  C     
10   C        26.6742   44.1878   15.3201  C     
11   C        28.7014   45.8897   18.7270  C     
12   H        27.2000   44.5065   20.3962  H     
13   H        28.2456   43.2982   20.8261  H     
14   H        26.5869   42.7429   19.1582  H     
15   H        28.2658   42.3475   18.7291  H     
16   H        27.0878   46.0433   14.4183  H     
17   H        29.3702   45.3946   20.7397  H     
18   H        29.9916   44.3019   19.4943  H     
19   H        28.1652   47.0036   16.3462  H     
20   H        26.2298   43.7906   14.4844  H     
21   H        29.6113   46.3709   18.3580  H     
22   H        28.0677   46.6601   19.1757  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    5 1
     4    2    6 1
     5    2   10 1
     6    3    5 1
     7    3    8 1
     8    4    9 2
     9    4   11 1
    10    7    9 1
    11    7   10 2
    12    8   11 1
    13    3   12 1
    14    3   13 1
    15    5   14 1
    16    5   15 1
    17    7   16 1
    18    8   17 1
    19    8   18 1
    20    9   19 1
    21   10   20 1
    22   11   21 1
    23   11   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8495
  Crash		| -0.2482
  Polar		| 2.5431
  FragIndex	| 1
  FragRMSD	| 0.419