@<TRIPOS>MOLECULE
BindingDB_25407
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.4813   95.0639   34.2155  C     
2    C        49.4054   96.4728   34.2845  C     
3    C        50.2033   97.1968   35.2039  C     
4    C        51.0871   96.4791   36.0454  C     
5    C        51.1705   95.0763   35.9762  C     
6    C        50.3845   94.3604   35.0464  C     
7    O        48.6819   94.3765   33.3477  O     
8    O        50.4230   92.9932   34.9925  O     
9    C        51.5167   92.4078   34.3950  C     
10   C        51.9643   91.1557   34.8887  C     
11   C        52.1600   92.9641   33.2605  C     
12   C        53.2317   92.2937   32.6374  C     
13   C        53.6655   91.0484   33.1326  C     
14   C        53.0345   90.4851   34.2601  C     
15   Cl       51.2236   90.4253   36.2299  Cl    
16   Cl       54.9339   90.2298   32.3667  Cl    
17   C        50.1812   98.6820   35.3296  C     
18   C        49.3898   99.4927   34.2851  C     
19   H        48.7455   96.9651   33.6767  H     
20   H        51.6822   96.9706   36.7211  H     
21   H        51.8079   94.5766   36.6039  H     
22   H        48.5234   94.9697   32.5863  H     
23   H        51.8440   93.8567   32.8775  H     
24   H        53.6852   92.7167   31.8213  H     
25   H        53.3441   89.5752   34.6141  H     
26   H        49.7723   98.9511   36.3093  H     
27   H        51.2097   99.0388   35.2951  H     
28   H        49.7583   99.2872   33.2766  H     
29   H        49.4998  100.5700   34.4804  H     
30   H        48.3311   99.2414   34.3437  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 1
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23    7   22 1
    24   11   23 1
    25   12   24 1
    26   14   25 1
    27   17   26 1
    28   17   27 1
    29   18   28 1
    30   18   29 1
    31   18   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.5074
  Crash		| -0.9654
  Polar		| 0.0019
  FragIndex	| 1
  FragRMSD	| 0.139