@<TRIPOS>MOLECULE
BindingDB_68263
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.3742  -34.3236   -4.4341  C     
2    C        17.3732  -33.3931   -4.8173  C     
3    C        16.9124  -32.4353   -3.8997  C     
4    C        17.4405  -32.3750   -2.6067  C     
5    C        18.4341  -33.2913   -2.2034  C     
6    C        18.9241  -34.2820   -3.1093  C     
7    C        18.8221  -35.2472   -5.4101  C     
8    O        16.8153  -33.4060   -6.0657  O     
9    O        16.9614  -31.4015   -1.7858  O     
10   O        19.2538  -34.7831   -6.6068  O     
11   O        18.9254  -36.5641   -5.1399  O     
12   C        19.8502  -35.5615   -7.6504  C     
13   C        20.3270  -34.6408   -8.7908  C     
14   C        21.1165  -33.5349   -8.2704  C     
15   C        22.4534  -33.5722   -8.1753  C     
16   C        20.0065  -35.2360   -2.6772  C     
17   C        21.2730  -35.0410   -3.3670  C     
18   C        22.0747  -33.8362   -3.1842  C     
19   O        21.7704  -35.9974   -3.9428  O     
20   Cl       18.9888  -33.1345   -0.6055  Cl    
21   C        23.2456  -32.5344   -7.5346  C     
22   C        24.2020  -33.1105   -6.4605  C     
23   C        23.5107  -33.9303   -5.3429  C     
24   C        22.4727  -33.1300   -4.5064  C     
25   H        16.1890  -31.7693   -4.1735  H     
26   H        16.0631  -32.7673   -6.0489  H     
27   H        17.7378  -31.0706   -1.2822  H     
28   H        20.7081  -36.1055   -7.2466  H     
29   H        19.1254  -36.2834   -8.0299  H     
30   H        20.8928  -35.2317   -9.5147  H     
31   H        19.4519  -34.2484   -9.3105  H     
32   H        20.6334  -32.7571   -7.8838  H     
33   H        22.9371  -34.3674   -8.5391  H     
34   H        20.2344  -35.1758   -1.6129  H     
35   H        19.6431  -36.2533   -2.8096  H     
36   H        21.5308  -33.1100   -2.5737  H     
37   H        22.9764  -34.1008   -2.6254  H     
38   H        23.8500  -32.0437   -8.2975  H     
39   H        22.6183  -31.7633   -7.0801  H     
40   H        24.9353  -33.7583   -6.9548  H     
41   H        24.7586  -32.2858   -6.0032  H     
42   H        23.0220  -34.7967   -5.7956  H     
43   H        24.2932  -34.3105   -4.6791  H     
44   H        21.5738  -32.9508   -5.1034  H     
45   H        22.8994  -32.1552   -4.2502  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   24 1
    23   21   22 1
    24   22   23 1
    25   23   24 1
    26    3   25 1
    27    8   26 1
    28    9   27 1
    29   12   28 1
    30   12   29 1
    31   13   30 1
    32   13   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   21   38 1
    40   21   39 1
    41   22   40 1
    42   22   41 1
    43   23   42 1
    44   23   43 1
    45   24   44 1
    46   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.4645
  Crash		| -4.2578
  Polar		| 1.2633
  FragIndex	| 1
  FragRMSD	| 1.220