@<TRIPOS>MOLECULE
BindingDB_18785
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        26.3172    4.5076   61.3610  C     
2    C        26.7077    4.3844   60.0130  C     
3    C        27.9671    4.8553   59.5816  C     
4    C        28.8369    5.4357   60.5305  C     
5    C        28.4488    5.5548   61.8776  C     
6    C        27.1904    5.0913   62.2961  C     
7    C        28.3480    4.7677   58.2168  C     
8    C        29.4157    3.9280   57.8055  C     
9    C        29.1753    4.6445   55.5596  C     
10   C        27.7064    5.5392   57.2085  C     
11   N        30.1063    3.1457   58.6549  N     
12   N        29.5826    4.6340   54.2807  N     
13   N        29.7931    3.8923   56.5009  N     
14   N        28.1475    5.4411   55.9277  N     
15   C        26.6018    6.4910   57.4680  C     
16   Cl       24.7863    3.9746   61.8492  Cl    
17   H        26.0657    3.9533   59.3430  H     
18   H        29.7540    5.7902   60.2457  H     
19   H        29.0802    5.9919   62.5527  H     
20   H        26.9153    5.1871   63.2769  H     
21   H        30.8251    2.5917   58.3190  H     
22   H        29.9192    3.1493   59.6055  H     
23   H        29.1533    5.2169   53.6286  H     
24   H        30.3292    4.0744   54.0131  H     
25   H        25.7232    5.9540   57.8260  H     
26   H        26.3199    7.0324   56.5621  H     
27   H        26.9075    7.2209   58.2195  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   16 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    2   17 1
    19    4   18 1
    20    5   19 1
    21    6   20 1
    22   11   21 1
    23   11   22 1
    24   12   23 1
    25   12   24 1
    26   15   25 1
    27   15   26 1
    28   15   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5000
  Crash		| -0.3561
  Polar		| 2.6965
  FragIndex	| 1
  FragRMSD	| 0.255