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


@<TRIPOS>ATOM
1    C        90.2895   11.8015   36.7815  C     
2    C        90.2807   12.1799   35.4262  C     
3    C        89.1238   12.7494   34.8438  C     
4    C        87.9655   12.9200   35.6378  C     
5    C        87.9573   12.5390   36.9937  C     
6    C        89.1095   11.9708   37.5661  C     
7    C        89.1356   13.1181   33.4733  C     
8    C        88.4845   12.3235   32.4961  C     
9    C        89.3850   13.6562   30.7550  C     
10   C        89.8585   14.2515   33.0094  C     
11   N        87.7182   11.2600   32.8012  N     
12   N        89.5782   13.8941   29.4502  N     
13   N        88.6381   12.6087   31.1770  N     
14   N        89.9514   14.4710   31.6715  N     
15   Cl       89.1161   11.5282   39.1999  Cl    
16   C        90.4982   15.2421   33.9065  C     
17   H        91.1315   11.4009   37.1875  H     
18   H        91.1209   12.0363   34.8680  H     
19   H        87.1177   13.3309   35.2384  H     
20   H        87.1176   12.6838   37.5639  H     
21   H        87.2962   10.7552   32.0911  H     
22   H        87.5514   11.0074   33.7225  H     
23   H        90.1646   14.6161   29.1673  H     
24   H        89.1714   13.3159   28.7860  H     
25   H        89.7443   15.6701   34.5685  H     
26   H        90.9574   16.0578   33.3425  H     
27   H        91.2741   14.7642   34.5063  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	| 4.9647
  Crash		| -0.4559
  Polar		| 2.9461
  FragIndex	| 1
  FragRMSD	| 0.912