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


@<TRIPOS>ATOM
1    C        26.3213    4.4893   61.1709  C     
2    C        26.7910    4.4017   59.8451  C     
3    C        28.0762    4.8746   59.4965  C     
4    C        28.8930    5.4351   60.5022  C     
5    C        28.4347    5.5184   61.8308  C     
6    C        27.1525    5.0404   62.1739  C     
7    C        28.5304    4.7932   58.1525  C     
8    C        29.5485    3.8758   57.7808  C     
9    C        29.4145    4.5645   55.5198  C     
10   C        27.9725    5.5971   57.1120  C     
11   N        30.1575    3.0544   58.6545  N     
12   N        29.8318    4.5060   54.2484  N     
13   N        29.9532    3.7879   56.4891  N     
14   N        28.4423    5.4340   55.8495  N     
15   C        26.9368    6.6499   57.2878  C     
16   C        25.6756    6.3837   56.4375  C     
17   Cl       24.7516    3.9348   61.5050  Cl    
18   Cl       26.6649    5.1463   63.7977  Cl    
19   H        26.1884    3.9887   59.1269  H     
20   H        29.8223    5.7930   60.2765  H     
21   H        29.0386    5.9271   62.5438  H     
22   H        30.8441    2.4520   58.3370  H     
23   H        29.9538    3.0810   59.6041  H     
24   H        29.4550    5.1108   53.5855  H     
25   H        30.5396    3.8925   54.0035  H     
26   H        26.6432    6.7498   58.3343  H     
27   H        27.3600    7.6144   56.9908  H     
28   H        25.9275    6.3449   55.3755  H     
29   H        24.9488    7.1832   56.5925  H     
30   H        25.2141    5.4347   56.7211  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	| 5.5536
  Crash		| -0.5193
  Polar		| 2.3226
  FragIndex	| 1
  FragRMSD	| 0.591