@<TRIPOS>MOLECULE
BindingDB_11316
 26 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.9284    4.6565   20.2035  C     
2    C        25.8083    4.0714   18.2009  C     
3    C        25.8487    3.3921   19.4323  C     
4    C        24.9061    3.6780   20.4290  C     
5    C        24.8097    5.0582   17.9454  C     
6    C        23.8645    5.3614   18.9730  C     
7    C        24.7248    5.7503   16.7185  C     
8    C        23.7641    6.7619   16.5059  C     
9    C        22.8331    7.0509   17.5490  C     
10   C        21.8550    8.0563   17.3455  C     
11   C        21.7911    8.7729   16.1399  C     
12   C        22.7089    8.5024   15.1224  C     
13   C        23.6935    7.5130   15.2907  C     
14   O        25.5024    5.4652   15.8157  O     
15   O        24.5592    7.3197   14.2571  O     
16   C        22.8932    6.3453   18.7615  C     
17   O        22.1008    6.6184   19.6600  O     
18   O        26.7380    3.7007   17.2818  O     
19   H        23.2603    4.8434   20.9564  H     
20   H        26.5582    2.6740   19.6047  H     
21   H        24.9262    3.1675   21.3159  H     
22   H        21.1647    8.2813   18.0709  H     
23   H        21.0687    9.4899   16.0134  H     
24   H        22.6539    9.0286   14.2461  H     
25   H        24.5777    8.1563   13.7467  H     
26   H        27.4934    4.3174   17.3919  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    2    3 2
     4    2    5 1
     5    2   18 1
     6    3    4 1
     7    5    6 2
     8    5    7 1
     9    6   16 1
    10    7    8 1
    11    7   14 2
    12    8    9 2
    13    8   13 1
    14    9   10 1
    15    9   16 1
    16   10   11 2
    17   11   12 1
    18   12   13 2
    19   13   15 1
    20   16   17 2
    21    1   19 1
    22    3   20 1
    23    4   21 1
    24   10   22 1
    25   11   23 1
    26   12   24 1
    27   15   25 1
    28   18   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9023
  Crash		| -0.6815
  Polar		| 2.0618
  FragIndex	| 1
  FragRMSD	| 0.217