@<TRIPOS>MOLECULE
BindingDB_68262
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.7074  -34.0938  -59.6875  C     
2    C        17.4449  -33.4569  -59.5860  C     
3    C        17.0541  -32.8521  -58.3818  C     
4    C        17.9153  -32.8319  -57.2827  C     
5    C        19.1911  -33.4374  -57.3636  C     
6    C        19.6034  -34.0919  -58.5688  C     
7    C        19.0421  -34.7385  -60.8888  C     
8    O        16.5810  -33.4029  -60.6459  O     
9    O        17.4767  -32.1799  -56.1711  O     
10   O        19.5819  -34.0216  -61.9209  O     
11   O        18.8903  -36.0854  -60.9585  O     
12   C        20.0977  -34.5531  -63.1576  C     
13   C        21.4887  -33.9518  -63.5095  C     
14   C        22.4490  -33.9022  -62.4135  C     
15   C        22.7956  -34.9750  -61.6860  C     
16   C        21.0129  -34.6078  -58.7054  C     
17   C        21.9529  -33.5954  -59.2038  C     
18   C        23.3666  -33.8688  -59.4330  C     
19   O        21.5565  -32.4670  -59.4657  O     
20   Cl       20.2126  -33.2977  -56.0049  Cl    
21   C        23.6774  -34.9295  -60.5281  C     
22   H        16.1374  -32.4093  -58.3034  H     
23   H        16.0527  -32.5798  -60.5338  H     
24   H        18.1411  -32.3377  -55.4633  H     
25   H        20.1723  -35.6476  -63.1340  H     
26   H        19.3941  -34.2899  -63.9546  H     
27   H        21.9289  -34.5300  -64.3299  H     
28   H        21.3420  -32.9354  -63.8741  H     
29   H        22.8376  -33.0197  -62.1726  H     
30   H        22.4006  -35.8554  -61.9185  H     
31   H        21.3897  -34.9815  -57.7498  H     
32   H        21.0365  -35.4796  -59.3631  H     
33   H        23.8750  -32.9416  -59.7094  H     
34   H        23.8192  -34.1849  -58.4835  H     
35   H        23.6667  -35.9133  -60.0454  H     
36   H        24.7007  -34.7654  -60.8846  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   20 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   15 2
    18   15   21 1
    19   16   17 1
    20   17   18 1
    21   17   19 2
    22   18   21 1
    23    3   22 1
    24    8   23 1
    25    9   24 1
    26   12   25 1
    27   12   26 1
    28   13   27 1
    29   13   28 1
    30   14   29 1
    31   15   30 1
    32   16   31 1
    33   16   32 1
    34   18   33 1
    35   18   34 1
    36   21   35 1
    37   21   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.6498
  Crash		| -1.1950
  Polar		| 1.2444
  FragIndex	| 1
  FragRMSD	| 1.245