@<TRIPOS>MOLECULE
BindingDB_68260
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.5248  -34.1470  -59.5691  C     
2    C        17.4009  -33.2919  -59.4201  C     
3    C        17.1743  -32.6114  -58.2098  C     
4    C        18.0507  -32.7716  -57.1252  C     
5    C        19.1528  -33.6455  -57.2400  C     
6    C        19.4136  -34.3362  -58.4615  C     
7    C        18.7180  -34.7554  -60.8433  C     
8    O        16.5366  -33.0882  -60.4556  O     
9    O        17.8296  -32.0836  -55.9701  O     
10   O        19.8456  -34.5095  -61.5629  O     
11   O        17.6943  -35.4317  -61.4147  O     
12   C        20.0748  -34.8898  -62.9292  C     
13   C        21.4623  -34.4378  -63.4576  C     
14   C        21.7681  -33.0619  -63.0956  C     
15   C        20.5842  -35.2769  -58.5324  C     
16   C        21.8762  -34.6079  -58.4256  C     
17   C        22.3433  -33.6268  -59.3881  C     
18   C        23.2502  -34.3034  -60.4561  C     
19   C        23.7640  -33.3801  -61.5934  C     
20   C        22.7476  -32.6104  -62.2902  C     
21   O        22.6909  -35.0426  -57.6217  O     
22   Cl       20.1230  -33.8357  -55.8533  Cl    
23   H        16.3657  -31.9880  -58.1180  H     
24   H        16.0006  -32.2895  -60.2289  H     
25   H        17.0769  -31.4770  -56.1275  H     
26   H        19.9931  -35.9752  -63.0341  H     
27   H        19.2968  -34.4348  -63.5493  H     
28   H        22.2254  -35.1342  -63.1118  H     
29   H        21.4623  -34.5024  -64.5517  H     
30   H        21.1710  -32.3693  -63.4842  H     
31   H        20.4681  -36.0106  -57.7302  H     
32   H        20.5920  -35.8619  -59.4513  H     
33   H        21.4933  -33.1423  -59.8755  H     
34   H        22.9035  -32.8395  -58.8690  H     
35   H        24.1277  -34.7222  -59.9520  H     
36   H        22.7054  -35.1410  -60.8897  H     
37   H        24.4853  -32.6862  -61.1501  H     
38   H        24.3135  -33.9817  -62.3190  H     
39   H        22.7876  -31.6230  -62.1542  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   22 1
    11    6   15 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   20 2
    18   15   16 1
    19   16   17 1
    20   16   21 2
    21   17   18 1
    22   18   19 1
    23   19   20 1
    24    3   23 1
    25    8   24 1
    26    9   25 1
    27   12   26 1
    28   12   27 1
    29   13   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   15   32 1
    34   17   33 1
    35   17   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   20   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9500
  Crash		| -0.7711
  Polar		| 1.5001
  FragIndex	| 1
  FragRMSD	| 0.858