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


@<TRIPOS>ATOM
1    C        28.7168    3.2454   15.1812  C     
2    C        28.4385    3.5355   13.8300  C     
3    C        28.6603    2.5707   12.8246  C     
4    C        29.1009    1.2839   13.1970  C     
5    C        29.3634    0.9825   14.5424  C     
6    C        29.2029    1.9655   15.5354  C     
7    C        28.5732    2.8992   11.4478  C     
8    C        27.8620    2.0668   10.5462  C     
9    C        28.6409    3.3331    8.7022  C     
10   C        29.3150    3.9845   10.8978  C     
11   N        27.1282    1.0096   10.9411  N     
12   N        28.7161    3.5365    7.3781  N     
13   N        27.9188    2.3082    9.2121  N     
14   N        29.3106    4.1485    9.5475  N     
15   C        30.1246    4.9195   11.7341  C     
16   C        31.2300    5.7256   11.0138  C     
17   Cl       28.5103    4.4863   16.3195  Cl    
18   Cl       29.6820    1.5716   17.1097  Cl    
19   H        28.1101    4.4707   13.5707  H     
20   H        29.2825    0.5714   12.4845  H     
21   H        29.7162    0.0528   14.7840  H     
22   H        26.6878    0.4616   10.2762  H     
23   H        27.0376    0.7797   11.8795  H     
24   H        29.2627    4.2603    7.0276  H     
25   H        28.2514    2.9421    6.7676  H     
26   H        29.4452    5.6421   12.1918  H     
27   H        30.6050    4.3470   12.5342  H     
28   H        31.9912    5.0503   10.6204  H     
29   H        31.7066    6.4124   11.7165  H     
30   H        30.8067    6.3063   10.1916  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	| 3.5581
  Crash		| -1.6592
  Polar		| 1.7834
  FragIndex	| 1
  FragRMSD	| 0.539