@<TRIPOS>MOLECULE
BindingDB_68266
 48 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.4177  -34.0960  -59.4308  C     
2    C        17.4245  -33.0817  -59.5594  C     
3    C        17.2602  -32.1490  -58.5249  C     
4    C        18.0562  -32.2034  -57.3678  C     
5    C        19.0371  -33.2147  -57.2194  C     
6    C        19.2383  -34.1805  -58.2511  C     
7    C        18.5136  -35.0528  -60.4545  C     
8    O        16.6018  -33.0382  -60.6505  O     
9    O        17.8663  -31.2570  -56.3984  O     
10   O        19.4359  -34.9290  -61.4654  O     
11   O        17.7084  -36.1479  -60.3618  O     
12   C        19.6572  -35.9298  -62.4644  C     
13   C        20.8124  -35.5255  -63.4120  C     
14   C        20.4780  -34.3398  -64.1772  C     
15   C        21.1168  -33.1551  -64.1747  C     
16   C        20.2182  -35.3024  -58.0332  C     
17   C        21.6149  -34.9289  -57.8352  C     
18   C        22.4328  -34.2627  -58.8278  C     
19   O        22.1772  -35.2525  -56.7855  O     
20   C        22.3187  -32.8128  -63.4272  C     
21   C        22.0403  -32.4882  -61.9342  C     
22   Cl       19.8904  -33.2297  -55.7426  Cl    
23   C        22.2336  -32.7237  -58.8121  C     
24   C        23.2343  -31.9081  -59.6800  C     
25   C        23.3761  -32.3669  -61.1561  C     
26   H        16.5391  -31.4243  -58.6288  H     
27   H        15.9588  -32.3197  -60.4490  H     
28   H        17.4833  -30.4694  -56.8504  H     
29   H        19.9238  -36.8800  -61.9747  H     
30   H        18.7313  -36.0881  -63.0307  H     
31   H        21.7179  -35.4170  -62.8152  H     
32   H        20.9917  -36.3581  -64.1060  H     
33   H        19.6818  -34.4216  -64.7783  H     
34   H        20.7596  -32.4603  -64.7943  H     
35   H        19.8652  -35.8621  -57.1592  H     
36   H        20.2124  -36.0236  -58.8528  H     
37   H        23.4922  -34.4640  -58.6541  H     
38   H        22.2006  -34.6719  -59.8117  H     
39   H        23.0432  -33.6404  -63.5129  H     
40   H        22.7614  -31.9171  -63.8813  H     
41   H        21.4755  -31.5501  -61.8600  H     
42   H        21.4293  -33.2868  -61.5008  H     
43   H        21.2224  -32.4778  -59.1455  H     
44   H        22.3376  -32.3558  -57.7890  H     
45   H        22.9244  -30.8579  -59.6807  H     
46   H        24.2230  -31.9551  -59.2205  H     
47   H        23.8951  -33.3294  -61.1796  H     
48   H        24.0196  -31.6474  -61.6729  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   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   20 1
    19   16   17 1
    20   17   18 1
    21   17   19 2
    22   18   23 1
    23   20   21 1
    24   21   25 1
    25   23   24 1
    26   24   25 1
    27    3   26 1
    28    8   27 1
    29    9   28 1
    30   12   29 1
    31   12   30 1
    32   13   31 1
    33   13   32 1
    34   14   33 1
    35   15   34 1
    36   16   35 1
    37   16   36 1
    38   18   37 1
    39   18   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   24   45 1
    47   24   46 1
    48   25   47 1
    49   25   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.0038
  Crash		| -6.9091
  Polar		| 1.5462
  FragIndex	| 1
  FragRMSD	| 1.280