@<TRIPOS>MOLECULE
BindingDB_18784
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.6766    1.1390   15.3515  C     
2    C        29.6165    1.4026   13.9680  C     
3    C        28.5214    2.0984   13.4128  C     
4    C        27.4693    2.5182   14.2595  C     
5    C        27.5283    2.2583   15.6454  C     
6    C        28.6286    1.5718   16.1871  C     
7    C        28.5656    2.4672   12.0486  C     
8    C        27.8996    1.7114   11.0508  C     
9    C        28.8203    3.0693    9.3445  C     
10   C        29.3412    3.5833   11.6169  C     
11   N        27.1312    0.6442   11.3208  N     
12   N        29.0094    3.3669    8.0444  N     
13   N        28.0437    2.0247    9.7372  N     
14   N        29.4246    3.8324   10.2767  N     
15   C        29.9264    4.5709   12.5652  C     
16   C        31.0361    5.4899   12.0029  C     
17   Cl       31.0339    0.3581   15.9997  Cl    
18   H        30.3919    1.1104   13.3614  H     
19   H        26.6705    3.0425   13.8888  H     
20   H        26.7792    2.5714   16.2626  H     
21   H        28.6698    1.3810   17.1915  H     
22   H        26.7174    0.1481   10.6032  H     
23   H        26.9890    0.3634   12.2394  H     
24   H        29.6458    4.0636    7.8009  H     
25   H        28.5702    2.8456    7.3533  H     
26   H        29.1013    5.1931   12.9361  H     
27   H        30.3630    4.0562   13.4180  H     
28   H        31.9019    4.8805   11.7237  H     
29   H        31.3390    6.2077   12.7742  H     
30   H        30.6867    6.0418   11.1302  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    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   15 1
    18   15   16 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    6   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	| 4.9274
  Crash		| -0.5345
  Polar		| 2.9623
  FragIndex	| 1
  FragRMSD	| 1.222