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


@<TRIPOS>ATOM
1    C        18.8672  -34.6902   -4.8779  C     
2    C        17.6731  -33.9477   -5.1088  C     
3    C        17.0586  -33.2377   -4.0601  C     
4    C        17.5940  -33.2759   -2.7634  C     
5    C        18.7661  -34.0171   -2.5063  C     
6    C        19.4468  -34.6891   -3.5672  C     
7    C        19.3760  -35.4752   -5.9400  C     
8    O        17.0694  -33.9365   -6.3372  O     
9    O        16.9572  -32.5728   -1.7960  O     
10   O        19.6275  -34.9157   -7.1553  O     
11   O        19.4785  -36.8126   -5.7775  O     
12   C        20.0489  -35.5592   -8.3729  C     
13   C        21.4860  -36.1741   -8.3320  C     
14   C        22.5125  -35.2248   -7.9436  C     
15   C        23.3577  -35.4163   -6.9195  C     
16   C        20.7753  -35.3414   -3.2923  C     
17   C        21.8110  -34.4298   -2.7974  C     
18   C        22.1154  -33.1236   -3.3877  C     
19   C        22.6218  -33.1988   -4.8515  C     
20   C        23.9683  -33.9696   -4.9945  C     
21   C        24.2831  -34.3995   -6.4516  C     
22   O        22.4732  -34.7905   -1.8256  O     
23   C        19.9094  -34.4923   -9.4862  C     
24   Cl       19.2931  -34.0976   -0.8843  Cl    
25   H        16.2060  -32.7045   -4.2390  H     
26   H        16.5036  -33.1324   -6.3663  H     
27   H        17.6545  -32.0242   -1.3548  H     
28   H        19.3440  -36.3726   -8.5954  H     
29   H        21.4688  -37.0545   -7.6667  H     
30   H        21.7337  -36.5507   -9.3313  H     
31   H        22.5939  -34.4012   -8.4783  H     
32   H        23.3191  -36.2797   -6.4098  H     
33   H        20.6017  -36.1478   -2.5767  H     
34   H        21.1944  -35.8080   -4.1781  H     
35   H        21.2132  -32.5200   -3.3586  H     
36   H        22.8696  -32.6058   -2.7897  H     
37   H        21.8419  -33.6612   -5.4633  H     
38   H        22.7570  -32.1779   -5.2240  H     
39   H        24.7758  -33.3286   -4.6329  H     
40   H        23.9599  -34.8640   -4.3687  H     
41   H        25.2909  -34.8203   -6.4816  H     
42   H        24.2788  -33.5086   -7.0904  H     
43   H        18.8600  -34.2181   -9.6000  H     
44   H        20.2733  -34.8803  -10.4393  H     
45   H        20.4859  -33.5993   -9.2247  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	| 0.1895
  Crash		| -3.9457
  Polar		| 0.1260
  FragIndex	| 1
  FragRMSD	| 1.463