@<TRIPOS>MOLECULE
BindingDB_68259
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.2376  -33.8005  -59.0680  C     
2    C        17.9116  -33.4294  -58.7362  C     
3    C        17.5249  -33.3591  -57.3912  C     
4    C        18.4384  -33.6605  -56.3649  C     
5    C        19.7714  -33.9929  -56.6857  C     
6    C        20.1874  -34.0930  -58.0437  C     
7    C        19.5895  -33.8030  -60.4252  C     
8    O        16.9870  -33.1652  -59.7075  O     
9    O        17.9906  -33.6065  -55.0809  O     
10   O        19.3786  -34.9249  -61.1535  O     
11   O        20.0502  -32.6505  -60.9666  O     
12   C        19.5027  -35.1720  -62.5668  C     
13   C        20.8803  -34.7932  -63.1976  C     
14   C        22.0915  -35.5827  -62.6403  C     
15   C        23.3737  -35.0928  -63.1273  C     
16   C        21.6185  -34.4006  -58.3874  C     
17   C        22.4457  -33.2156  -58.6080  C     
18   C        23.8849  -33.2963  -58.8117  C     
19   C        24.3071  -34.0079  -60.1219  C     
20   C        23.7876  -33.3196  -61.4153  C     
21   C        24.1102  -34.0987  -62.5999  C     
22   O        21.9513  -32.0916  -58.5894  O     
23   C        19.1289  -36.6618  -62.7752  C     
24   Cl       20.8584  -34.1911  -55.3867  Cl    
25   H        16.5637  -33.1051  -57.1454  H     
26   H        16.3565  -32.5052  -59.3384  H     
27   H        18.4740  -34.3112  -54.6004  H     
28   H        18.7417  -34.5672  -63.0668  H     
29   H        20.8254  -34.9535  -64.2786  H     
30   H        21.0398  -33.7253  -63.0547  H     
31   H        22.0748  -35.5794  -61.5504  H     
32   H        21.9955  -36.6287  -62.9471  H     
33   H        23.7571  -35.5615  -63.9174  H     
34   H        22.0870  -35.0046  -57.6046  H     
35   H        21.6479  -35.0337  -59.2744  H     
36   H        24.3303  -32.2944  -58.8170  H     
37   H        24.3217  -33.8322  -57.9627  H     
38   H        25.4015  -34.0257  -60.1551  H     
39   H        23.9700  -35.0485  -60.0840  H     
40   H        22.7114  -33.1521  -61.3577  H     
41   H        24.2553  -32.3326  -61.5040  H     
42   H        24.9891  -33.9081  -63.0278  H     
43   H        19.7316  -37.3008  -62.1263  H     
44   H        19.2847  -36.9631  -63.8135  H     
45   H        18.0762  -36.8140  -62.5237  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   24 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   12   23 1
    17   13   14 1
    18   14   15 1
    19   15   21 2
    20   16   17 1
    21   17   18 1
    22   17   22 2
    23   18   19 1
    24   19   20 1
    25   20   21 1
    26    3   25 1
    27    8   26 1
    28    9   27 1
    29   12   28 1
    30   13   29 1
    31   13   30 1
    32   14   31 1
    33   14   32 1
    34   15   33 1
    35   16   34 1
    36   16   35 1
    37   18   36 1
    38   18   37 1
    39   19   38 1
    40   19   39 1
    41   20   40 1
    42   20   41 1
    43   21   42 1
    44   23   43 1
    45   23   44 1
    46   23   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.2516
  Crash		| -3.0619
  Polar		| 0.6921
  FragIndex	| 1
  FragRMSD	| 1.349