@<TRIPOS>MOLECULE
BindingDB_18776
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.2116    1.3157   14.8009  C     
2    C        29.1086    1.5944   13.4269  C     
3    C        28.0580    2.4120   12.9469  C     
4    C        27.1051    2.9266   13.8580  C     
5    C        27.2226    2.6398   15.2332  C     
6    C        28.2754    1.8388   15.7086  C     
7    C        28.0298    2.7800   11.5801  C     
8    C        27.2908    2.0202   10.6381  C     
9    C        28.1091    3.3666    8.8671  C     
10   C        28.7593    3.8999   11.0940  C     
11   N        26.5056    0.9825   10.9907  N     
12   N        28.2213    3.6083    7.5564  N     
13   N        27.3679    2.3262    9.3149  N     
14   N        28.7629    4.1411    9.7581  N     
15   Cl       28.4344    1.5484   17.3666  Cl    
16   C        29.5530    4.8413   11.9362  C     
17   C        30.9955    5.1326   11.4253  C     
18   C        31.7898    5.9854   12.4492  C     
19   C        31.7904    3.8425   11.0701  C     
20   H        29.9833    0.7306   15.1362  H     
21   H        29.8122    1.2221   12.7858  H     
22   H        26.3476    3.5302   13.5310  H     
23   H        26.5367    3.0306   15.8871  H     
24   H        26.0190    0.4914   10.3063  H     
25   H        26.3828    0.7430   11.9199  H     
26   H        28.8262    4.3053    7.2417  H     
27   H        27.7628    3.0425    6.9122  H     
28   H        28.9965    5.7855   11.9467  H     
29   H        29.6098    4.5005   12.9711  H     
30   H        30.9200    5.7322   10.5135  H     
31   H        31.2422    6.8979   12.6929  H     
32   H        32.7590    6.2794   12.0342  H     
33   H        31.9608    5.4232   13.3718  H     
34   H        31.8052    3.1580   11.9198  H     
35   H        32.8176    4.0858   10.7930  H     
36   H        31.3336    3.3291   10.2193  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   15 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   16 1
    18   16   17 1
    19   17   18 1
    20   17   19 1
    21    1   20 1
    22    2   21 1
    23    4   22 1
    24    5   23 1
    25   11   24 1
    26   11   25 1
    27   12   26 1
    28   12   27 1
    29   16   28 1
    30   16   29 1
    31   17   30 1
    32   18   31 1
    33   18   32 1
    34   18   33 1
    35   19   34 1
    36   19   35 1
    37   19   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3441
  Crash		| -0.8789
  Polar		| 2.7676
  FragIndex	| 1
  FragRMSD	| 1.020