@<TRIPOS>MOLECULE
BindingDB_29030
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        38.2721   33.9502   36.0127  C     
2    C        38.6597   32.7397   36.6278  C     
3    C        38.4570   32.5431   38.0068  C     
4    C        37.8145   33.5409   38.7615  C     
5    C        37.4403   34.7437   38.1533  C     
6    C        37.6561   34.9860   36.7768  C     
7    C        39.0712   31.4834   38.7035  C     
8    N        37.3289   36.2707   36.4168  N     
9    C        37.3800   36.9766   35.2934  C     
10   C        36.9721   38.2905   35.3110  C     
11   O        37.6531   36.4340   34.2291  O     
12   C        37.3627   39.1679   36.2722  C     
13   C        36.1928   38.6754   34.3627  C     
14   N        35.5266   39.0035   33.4853  N     
15   C        36.8806   40.5403   36.4023  C     
16   O        38.2773   38.8121   37.1723  O     
17   C        38.5863   30.1520   38.6735  C     
18   C        39.0525   29.2280   39.6447  C     
19   C        40.0643   29.6044   40.5476  C     
20   C        40.6042   30.8970   40.5079  C     
21   C        40.0945   31.8390   39.6079  C     
22   Cl       38.7667   34.1048   34.4058  Cl    
23   Cl       37.4876   29.6940   37.4599  Cl    
24   Cl       38.4106   27.6734   39.8441  Cl    
25   H        39.1591   32.0236   36.0887  H     
26   H        37.6731   33.4282   39.7695  H     
27   H        37.0371   35.4674   38.7525  H     
28   H        36.9512   36.7770   37.1525  H     
29   H        37.2222   41.1199   35.5422  H     
30   H        37.2593   41.0172   37.3111  H     
31   H        35.7867   40.5594   36.4432  H     
32   H        39.1013   38.7092   36.6512  H     
33   H        40.4127   28.9414   41.2431  H     
34   H        41.3408   31.1666   41.1603  H     
35   H        40.4529   32.7971   39.6430  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   22 1
     4    2    3 2
     5    3    4 1
     6    3    7 1
     7    4    5 2
     8    5    6 1
     9    6    8 1
    10    7   17 2
    11    7   21 1
    12    8    9 am
    13    9   10 1
    14    9   11 2
    15   10   12 2
    16   10   13 1
    17   12   15 1
    18   12   16 1
    19   13   14 3
    20   17   18 1
    21   17   23 1
    22   18   19 2
    23   18   24 1
    24   19   20 1
    25   20   21 2
    26    2   25 1
    27    4   26 1
    28    5   27 1
    29    8   28 1
    30   15   29 1
    31   15   30 1
    32   15   31 1
    33   16   32 1
    34   19   33 1
    35   20   34 1
    36   21   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.7485
  Crash		| -9.5580
  Polar		| 4.6802
  FragIndex	| 1
  FragRMSD	| 0.625