@<TRIPOS>MOLECULE
BindingDB_13014
 22 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.6252   46.2220   16.6627  C     
2    C        27.0122   45.7171   15.5064  C     
3    C        26.6027   44.3747   15.4467  C     
4    C        26.8269   43.5183   16.5530  C     
5    Cl       25.8511   43.8532   14.0153  Cl    
6    Cl       26.3172   41.8948   16.4677  Cl    
7    C        27.8394   45.3922   17.7843  C     
8    C        27.4723   44.0183   17.7201  C     
9    C        28.4645   45.9900   18.9969  C     
10   C        27.7524   43.1291   18.8889  C     
11   C        28.3231   45.1068   20.2590  C     
12   N        28.6395   43.7095   19.9239  N     
13   H        27.9041   47.2065   16.6853  H     
14   H        26.8613   46.3469   14.7137  H     
15   H        29.5254   46.1562   18.7890  H     
16   H        28.0075   46.9582   19.2142  H     
17   H        26.8049   42.8479   19.3545  H     
18   H        28.2474   42.2189   18.5434  H     
19   H        29.0133   45.4528   21.0322  H     
20   H        27.3057   45.1707   20.6555  H     
21   H        28.5752   43.1374   20.7671  H     
22   H        29.6026   43.6718   19.5805  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4    6 1
     7    4    8 2
     8    7    8 1
     9    7    9 1
    10    8   10 1
    11    9   11 1
    12   10   12 1
    13   11   12 1
    14    1   13 1
    15    2   14 1
    16    9   15 1
    17    9   16 1
    18   10   17 1
    19   10   18 1
    20   11   19 1
    21   11   20 1
    22   12   21 1
    23   12   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4914
  Crash		| -0.5508
  Polar		| 3.1311
  FragIndex	| 1
  FragRMSD	| 0.029