@<TRIPOS>MOLECULE
BindingDB_16428
 17 17 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6346   24.5183   63.4212  C     
2    C        17.8337   23.3498   63.4832  C     
3    C        18.2590   22.1821   62.8282  C     
4    C        19.4410   22.1817   62.0707  C     
5    C        20.2383   23.3361   62.0132  C     
6    C        19.8314   24.5042   62.6688  C     
7    C        18.2000   25.7387   64.1786  C     
8    C        16.9850   26.4118   63.6812  C     
9    O        16.8485   26.7863   62.3773  O     
10   O        16.0787   26.8093   64.6069  O     
11   F        16.7000   23.3236   64.1459  F     
12   F        20.5758   25.5685   62.5604  F     
13   H        17.6663   21.3483   62.8350  H     
14   H        19.7376   21.3415   61.5774  H     
15   H        21.0807   23.3460   61.4411  H     
16   H        18.0196   25.4749   65.2357  H     
17   H        19.0068   26.4726   64.1812  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    6   12 1
    10    7    8 1
    11    8    9 2
    12    8   10 1
    13    3   13 1
    14    4   14 1
    15    5   15 1
    16    7   16 1
    17    7   17 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4770
  Crash		| -0.1239
  Polar		| 4.2722
  FragIndex	| 1
  FragRMSD	| 0.109