@<TRIPOS>MOLECULE
BindingDB_68256
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.4633  -34.3256  -61.2361  C     
2    C        22.8479  -33.3927  -62.2320  C     
3    C        23.3897  -32.1517  -61.8658  C     
4    C        23.5345  -31.8063  -60.5129  C     
5    C        23.1142  -32.7017  -59.5084  C     
6    C        22.5209  -33.9521  -59.8543  C     
7    C        22.1614  -35.6363  -61.6501  C     
8    O        22.7838  -33.6549  -63.5625  O     
9    O        24.1098  -30.6158  -60.1811  O     
10   Cl       23.4059  -32.2553  -57.8905  Cl    
11   O        21.3378  -35.8489  -62.7044  O     
12   O        22.8333  -36.6781  -61.0984  O     
13   C        20.9550  -37.0970  -63.2869  C     
14   C        19.4568  -36.9801  -63.6565  C     
15   C        18.5893  -36.7533  -62.5124  C     
16   C        17.8239  -35.6598  -62.3315  C     
17   C        21.9462  -34.8174  -58.7718  C     
18   C        20.8149  -34.2156  -58.0651  C     
19   C        19.6021  -33.7396  -58.7273  C     
20   C        18.8799  -34.8512  -59.5306  C     
21   C        17.5312  -34.4149  -60.1673  C     
22   C        16.9592  -35.4482  -61.1772  C     
23   O        20.8777  -34.1310  -56.8436  O     
24   C        21.8394  -37.3438  -64.5376  C     
25   H        23.7139  -31.5084  -62.5900  H     
26   H        21.8691  -33.9707  -63.7312  H     
27   H        23.7765  -29.9469  -60.8188  H     
28   H        21.0981  -37.9279  -62.5869  H     
29   H        19.3625  -36.1626  -64.3725  H     
30   H        19.1312  -37.8989  -64.1522  H     
31   H        18.5734  -37.4623  -61.8205  H     
32   H        17.8880  -34.9188  -62.9874  H     
33   H        21.5854  -35.7723  -59.1456  H     
34   H        22.7510  -35.0679  -58.0755  H     
35   H        18.9023  -33.3358  -57.9881  H     
36   H        19.8673  -32.9201  -59.4008  H     
37   H        19.5537  -35.1774  -60.3237  H     
38   H        18.6971  -35.7005  -58.8712  H     
39   H        16.7978  -34.2739  -59.3645  H     
40   H        17.6556  -33.4543  -60.6707  H     
41   H        15.9939  -35.0852  -61.5399  H     
42   H        16.7606  -36.3849  -60.6545  H     
43   H        21.7342  -36.5189  -65.2457  H     
44   H        21.5519  -38.2744  -65.0310  H     
45   H        22.8876  -37.4168  -64.2417  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   11   13 1
    15   13   14 1
    16   13   24 1
    17   14   15 1
    18   15   16 2
    19   16   22 1
    20   17   18 1
    21   18   19 1
    22   18   23 2
    23   19   20 1
    24   20   21 1
    25   21   22 1
    26    3   25 1
    27    8   26 1
    28    9   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
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.6313
  Crash		| -4.3921
  Polar		| 2.2507
  FragIndex	| 1
  FragRMSD	| 1.484