@<TRIPOS>MOLECULE
BindingDB_50267381
 59 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.6860   24.2820   14.9404  C     
2    C        32.8857   23.4049   14.4208  C     
3    C        32.4341   21.9769   14.0149  C     
4    C        31.7389   21.1912   15.1805  C     
5    C        30.8587   22.1003   15.9730  C     
6    O        30.8791   23.4548   15.8166  O     
7    C        35.3936   31.2530   17.4400  C     
8    C        34.9253   32.3030   16.6384  C     
9    C        34.1315   32.0190   15.5168  C     
10   C        35.0602   29.9262   17.1262  C     
11   C        34.2250   29.6053   16.0210  C     
12   C        33.7906   30.6844   15.1900  C     
13   C        32.9361   30.4748   13.9863  C     
14   C        32.7357   28.9979   13.5599  C     
15   C        33.8981   28.1710   15.6653  C     
16   C        32.5844   28.0753   14.8003  C     
17   C        33.4356   25.7087   16.4567  C     
18   C        33.8550   27.1557   16.8638  C     
19   C        32.0889   25.6482   15.6486  C     
20   C        32.2743   26.5919   14.4147  C     
21   C        31.0461   26.2891   13.5371  C     
22   C        30.7819   24.7782   13.7521  C     
23   C        30.9176   26.0810   16.6261  C     
24   O        35.2348   33.5830   16.9392  O     
25   O        30.0338   21.6095   16.9290  O     
26   C        30.8857   20.0263   14.5865  C     
27   C        32.8125   20.5879   16.1503  C     
28   H        33.3830   23.8867   13.5790  H     
29   H        33.6249   23.2799   15.2087  H     
30   H        31.7546   22.0607   13.1647  H     
31   H        33.3024   21.4185   13.6590  H     
32   H        35.9930   31.4579   18.2432  H     
33   H        33.8046   32.7955   14.9340  H     
34   H        35.4589   29.1981   17.7179  H     
35   H        31.9565   30.9175   14.1971  H     
36   H        33.3661   31.0161   13.1355  H     
37   H        31.8472   28.9417   12.9259  H     
38   H        33.5924   28.6750   12.9615  H     
39   H        34.7318   27.8419   15.0358  H     
40   H        31.7450   28.4637   15.3799  H     
41   H        34.2583   25.3164   15.8552  H     
42   H        33.3642   25.0805   17.3501  H     
43   H        34.8497   27.0699   17.3072  H     
44   H        33.1900   27.5354   17.6408  H     
45   H        33.1446   26.2529   13.8368  H     
46   H        30.1882   26.8828   13.8601  H     
47   H        31.2428   26.5097   12.4862  H     
48   H        30.9873   24.2449   12.8199  H     
49   H        29.7217   24.6270   13.9777  H     
50   H        29.9429   26.0372   16.1376  H     
51   H        31.0284   27.0910   17.0154  H     
52   H        30.8787   25.4137   17.4909  H     
53   H        34.6329   33.8103   17.6789  H     
54   H        30.0880   20.4121   13.9454  H     
55   H        30.4231   19.4249   15.3738  H     
56   H        31.5180   19.3696   13.9874  H     
57   H        33.4849   19.9128   15.6153  H     
58   H        32.3419   20.0220   16.9586  H     
59   H        33.4155   21.3785   16.6000  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1   19 1
     4    1   22 1
     5    2    3 1
     6    3    4 1
     7    4    5 1
     8    4   26 1
     9    4   27 1
    10    5    6 1
    11    5   25 2
    12    7    8 2
    13    7   10 1
    14    8    9 1
    15    8   24 1
    16    9   12 2
    17   10   11 2
    18   11   12 1
    19   11   15 1
    20   12   13 1
    21   13   14 1
    22   14   16 1
    23   15   16 1
    24   15   18 1
    25   16   20 1
    26   17   18 1
    27   17   19 1
    28   19   20 1
    29   19   23 1
    30   20   21 1
    31   21   22 1
    32    2   28 1
    33    2   29 1
    34    3   30 1
    35    3   31 1
    36    7   32 1
    37    9   33 1
    38   10   34 1
    39   13   35 1
    40   13   36 1
    41   14   37 1
    42   14   38 1
    43   15   39 1
    44   16   40 1
    45   17   41 1
    46   17   42 1
    47   18   43 1
    48   18   44 1
    49   20   45 1
    50   21   46 1
    51   21   47 1
    52   22   48 1
    53   22   49 1
    54   23   50 1
    55   23   51 1
    56   23   52 1
    57   24   53 1
    58   26   54 1
    59   26   55 1
    60   26   56 1
    61   27   57 1
    62   27   58 1
    63   27   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6019
  Crash		| -0.6732
  Polar		| 1.0650
  FragIndex	| 1
  FragRMSD	| 0.572