@<TRIPOS>MOLECULE
BindingDB_18783
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.8974    3.2640   15.4873  C     
2    C        28.0576    3.4107   14.0943  C     
3    C        28.3982    2.3073   13.2748  C     
4    C        28.5518    1.0444   13.8831  C     
5    C        28.3921    0.8926   15.2706  C     
6    C        28.0738    1.9943   16.0840  C     
7    C        28.6037    2.4782   11.8769  C     
8    C        27.8581    1.7313   10.9235  C     
9    C        28.9222    2.8550    9.1321  C     
10   C        29.5474    3.4134   11.3594  C     
11   N        26.9686    0.7763   11.2551  N     
12   N        29.1191    3.0645    7.8226  N     
13   N        28.0362    1.9436    9.5965  N     
14   N        29.6531    3.5613   10.0162  N     
15   C        30.5003    4.2323   12.1594  C     
16   C        30.2847    5.7492   11.9562  C     
17   Cl       27.4574    4.6285   16.3976  Cl    
18   Cl       27.8987    1.7397   17.7526  Cl    
19   H        27.9242    4.3343   13.6704  H     
20   H        28.7908    0.2228   13.3200  H     
21   H        28.5139   -0.0343   15.6853  H     
22   H        26.5447    0.2555   10.5563  H     
23   H        26.8036    0.5469   12.1818  H     
24   H        29.7905    3.7098    7.5353  H     
25   H        28.6231    2.5567    7.1647  H     
26   H        30.4253    4.0054   13.2191  H     
27   H        31.5149    3.9734   11.8512  H     
28   H        30.4468    6.0214   10.9094  H     
29   H        30.9965    6.2996   12.5722  H     
30   H        29.2726    6.0396   12.2462  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   17 1
     4    2    3 2
     5    3    4 1
     6    3    7 1
     7    4    5 2
     8    5    6 1
     9    6   18 1
    10    7    8 1
    11    7   10 2
    12    8   11 1
    13    8   13 2
    14    9   12 1
    15    9   13 1
    16    9   14 2
    17   10   14 1
    18   10   15 1
    19   15   16 1
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9692
  Crash		| -0.4247
  Polar		| 2.7879
  FragIndex	| 1
  FragRMSD	| 0.911