@<TRIPOS>MOLECULE
BindingDB_18775
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.1275    2.0415   15.0716  C     
2    C        27.0381    2.3557   13.7051  C     
3    C        28.1992    2.5697   12.9313  C     
4    C        29.4588    2.4615   13.5672  C     
5    C        29.5548    2.1588   14.9357  C     
6    C        28.3883    1.9426   15.6913  C     
7    C        28.1135    2.8704   11.5429  C     
8    C        27.3593    2.0598   10.6536  C     
9    C        28.1060    3.3229    8.7942  C     
10   C        28.7906    3.9833   10.9711  C     
11   N        26.5982    1.0243   11.0495  N     
12   N        28.1871    3.5290    7.4722  N     
13   N        27.3912    2.3015    9.3162  N     
14   N        28.7694    4.1519    9.6239  N     
15   Cl       28.4935    1.5871   17.3445  Cl    
16   C        29.5140    5.0055   11.7501  C     
17   H        26.2753    1.8936   15.6162  H     
18   H        26.1172    2.4446   13.2778  H     
19   H        30.3217    2.5985   13.0345  H     
20   H        30.4732    2.0886   15.3822  H     
21   H        26.1072    0.5124   10.3912  H     
22   H        26.5187    0.7931   11.9880  H     
23   H        28.7518    4.2418    7.1287  H     
24   H        27.7084    2.9527    6.8586  H     
25   H        28.8626    5.4067   12.5302  H     
26   H        29.8210    5.8395   11.1082  H     
27   H        30.4086    4.5732   12.2067  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    1   17 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22   11   21 1
    23   11   22 1
    24   12   23 1
    25   12   24 1
    26   16   25 1
    27   16   26 1
    28   16   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6055
  Crash		| -0.9829
  Polar		| 2.5911
  FragIndex	| 1
  FragRMSD	| 1.029