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


@<TRIPOS>ATOM
1    C        16.8132   23.9508   62.9390  C     
2    C        16.3035   23.3127   64.1000  C     
3    C        15.6772   22.0530   64.0058  C     
4    C        15.5499   21.4186   62.7609  C     
5    C        16.0328   22.0390   61.5964  C     
6    C        16.6674   23.2956   61.6831  C     
7    C        17.4816   25.2851   63.0449  C     
8    C        16.5051   26.3784   63.2570  C     
9    O        16.0386   26.6610   64.5007  O     
10   O        16.2331   27.2621   62.2639  O     
11   F        16.4208   23.8536   65.2805  F     
12   F        17.1061   23.8295   60.5657  F     
13   H        15.3290   21.5870   64.8453  H     
14   H        15.1038   20.4975   62.7104  H     
15   H        15.9275   21.5784   60.6844  H     
16   H        18.2138   25.2631   63.8619  H     
17   H        18.0428   25.5062   62.1326  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	| 3.8312
  Crash		| -0.7088
  Polar		| 4.0221
  FragIndex	| 1
  FragRMSD	| 0.375