@<TRIPOS>MOLECULE
BindingDB_68253
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.8485  -34.2433  -59.8888  C     
2    C        17.4540  -33.9994  -59.7756  C     
3    C        16.9605  -33.1583  -58.7683  C     
4    C        17.8101  -32.6477  -57.7791  C     
5    C        19.1648  -33.0439  -57.7641  C     
6    C        19.7239  -33.7880  -58.8507  C     
7    C        19.2789  -35.0705  -60.9566  C     
8    O        16.5034  -34.7262  -60.4390  O     
9    O        17.2573  -31.9039  -56.7657  O     
10   Cl       20.0260  -32.6932  -56.3375  Cl    
11   O        19.8532  -34.5532  -62.0857  O     
12   O        18.9254  -36.3756  -60.9176  O     
13   C        20.2038  -35.2998  -63.2741  C     
14   C        21.4254  -36.2615  -63.0940  C     
15   C        22.7142  -35.5875  -63.0587  C     
16   C        23.5221  -35.5412  -61.9880  C     
17   C        21.1621  -34.2167  -58.7947  C     
18   C        22.1307  -33.1323  -58.6550  C     
19   C        22.3909  -32.1261  -59.6791  C     
20   C        23.0203  -32.6932  -60.9783  C     
21   C        24.3281  -33.5253  -60.7691  C     
22   C        24.6115  -34.5802  -61.8726  C     
23   O        22.8550  -33.1350  -57.6670  O     
24   C        20.3776  -34.2996  -64.4424  C     
25   C        15.6757  -34.0185  -61.3625  C     
26   C        16.9299  -30.5578  -57.1577  C     
27   H        15.9579  -32.9690  -58.7108  H     
28   H        19.3409  -35.9225  -63.5350  H     
29   H        21.2705  -36.8635  -62.1945  H     
30   H        21.4477  -36.9581  -63.9367  H     
31   H        22.9792  -35.0784  -63.8702  H     
32   H        23.2912  -36.0777  -61.1827  H     
33   H        21.2498  -34.9041  -57.9474  H     
34   H        21.4572  -34.7975  -59.6668  H     
35   H        21.4508  -31.6297  -59.9329  H     
36   H        23.0617  -31.3536  -59.2881  H     
37   H        22.2530  -33.2909  -61.4695  H     
38   H        23.2415  -31.8612  -61.6531  H     
39   H        25.1747  -32.8353  -60.7162  H     
40   H        24.3001  -34.0597  -59.8173  H     
41   H        25.5228  -35.1272  -61.6179  H     
42   H        24.8032  -34.0561  -62.8123  H     
43   H        19.4261  -33.8111  -64.6506  H     
44   H        20.7024  -34.8166  -65.3473  H     
45   H        21.1137  -33.5338  -64.1904  H     
46   H        15.3952  -33.0237  -61.0079  H     
47   H        14.7639  -34.5935  -61.5103  H     
48   H        16.2000  -33.9629  -62.3136  H     
49   H        17.8143  -30.0121  -57.4942  H     
50   H        16.5217  -30.0401  -56.2899  H     
51   H        16.1747  -30.5426  -57.9481  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   10 1
    11    6   17 1
    12    7   11 1
    13    7   12 2
    14    8   25 1
    15    9   26 1
    16   11   13 1
    17   13   14 1
    18   13   24 1
    19   14   15 1
    20   15   16 2
    21   16   22 1
    22   17   18 1
    23   18   19 1
    24   18   23 2
    25   19   20 1
    26   20   21 1
    27   21   22 1
    28    3   27 1
    29   13   28 1
    30   14   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   17   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   22   41 1
    43   22   42 1
    44   24   43 1
    45   24   44 1
    46   24   45 1
    47   25   46 1
    48   25   47 1
    49   25   48 1
    50   26   49 1
    51   26   50 1
    52   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4845
  Crash		| -2.6188
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.129