@<TRIPOS>MOLECULE
BindingDB_68257
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6209  -34.9255  -60.4376  C     
2    C        17.4024  -34.4024  -60.9458  C     
3    C        16.5437  -33.6729  -60.1056  C     
4    C        16.8447  -33.5145  -58.7451  C     
5    C        17.9943  -34.1208  -58.2013  C     
6    C        18.9380  -34.7741  -59.0508  C     
7    C        19.4663  -35.5622  -61.3646  C     
8    O        16.9749  -34.6523  -62.2243  O     
9    O        15.9942  -32.7525  -57.9703  O     
10   O        19.8270  -34.9280  -62.5105  O     
11   O        19.7759  -36.8841  -61.1993  O     
12   C        20.5054  -35.4504  -63.6670  C     
13   C        21.9717  -35.9002  -63.3958  C     
14   C        22.8155  -34.8596  -62.8143  C     
15   C        23.4992  -35.0010  -61.6710  C     
16   C        20.2547  -35.2418  -58.4824  C     
17   C        21.0581  -34.1874  -57.8490  C     
18   C        21.3411  -32.9010  -58.4829  C     
19   C        22.1360  -32.9449  -59.8094  C     
20   C        23.5699  -33.5435  -59.6662  C     
21   C        24.2154  -33.9124  -61.0287  C     
22   O        21.4321  -34.3722  -56.6996  O     
23   C        20.4182  -34.4209  -64.8198  C     
24   Cl       18.1657  -34.0738  -56.5059  Cl    
25   H        15.6969  -33.2467  -60.5060  H     
26   H        16.9777  -35.6383  -62.3355  H     
27   H        15.6540  -32.0407  -58.5572  H     
28   H        19.9457  -36.3281  -63.9905  H     
29   H        21.9510  -36.7888  -62.7534  H     
30   H        22.4303  -36.1937  -64.3398  H     
31   H        22.8786  -33.9866  -63.3019  H     
32   H        23.4639  -35.8672  -61.1885  H     
33   H        20.0344  -36.0339  -57.7630  H     
34   H        20.9029  -35.6872  -59.2339  H     
35   H        20.3874  -32.4122  -58.6924  H     
36   H        21.8884  -32.2587  -57.7827  H     
37   H        21.5570  -33.5106  -60.5432  H     
38   H        22.2299  -31.9216  -60.1862  H     
39   H        24.2116  -32.8067  -59.1614  H     
40   H        23.5461  -34.4318  -59.0447  H     
41   H        25.2422  -34.2378  -60.8575  H     
42   H        24.2574  -33.0112  -61.6622  H     
43   H        19.3739  -34.0864  -64.9417  H     
44   H        20.7532  -34.8932  -65.7371  H     
45   H        21.0503  -33.5435  -64.6223  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 2
    19   15   21 1
    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   15   32 1
    34   16   33 1
    35   16   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   23   43 1
    45   23   44 1
    46   23   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.8155
  Crash		| -4.1034
  Polar		| 1.4710
  FragIndex	| 1
  FragRMSD	| 1.365