@<TRIPOS>MOLECULE
BindingDB_16423
 20 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.8099   23.8902   63.0816  C     
2    C        16.7816   23.3271   61.7682  C     
3    C        16.1619   22.0675   61.5710  C     
4    C        15.5514   21.3835   62.6358  C     
5    C        15.5634   21.9433   63.9217  C     
6    C        16.1844   23.1819   64.1374  C     
7    C        17.4631   25.1926   63.4120  C     
8    C        16.4755   26.2907   63.4322  C     
9    O        16.0837   26.8499   64.6032  O     
10   O        15.9435   26.7709   62.2832  O     
11   C        17.3859   24.0157   60.5941  C     
12   H        16.1463   21.6314   60.6455  H     
13   H        15.1001   20.4788   62.4768  H     
14   H        15.1269   21.4459   64.7005  H     
15   H        16.1940   23.5589   65.0855  H     
16   H        17.9480   25.1307   64.3867  H     
17   H        18.2562   25.4437   62.7080  H     
18   H        16.9440   25.0066   60.4779  H     
19   H        17.2322   23.4739   59.6617  H     
20   H        18.4602   24.1167   60.7446  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2   11 1
     6    3    4 2
     7    4    5 1
     8    5    6 2
     9    7    8 1
    10    8    9 2
    11    8   10 1
    12    3   12 1
    13    4   13 1
    14    5   14 1
    15    6   15 1
    16    7   16 1
    17    7   17 1
    18   11   18 1
    19   11   19 1
    20   11   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7506
  Crash		| -0.2325
  Polar		| 4.2555
  FragIndex	| 1
  FragRMSD	| 0.187