@<TRIPOS>MOLECULE
BindingDB_50267366
 51 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.7086   24.1931   15.1727  C     
2    C        32.9263   23.2835   14.7413  C     
3    C        32.5027   21.9210   14.4338  C     
4    C        31.5237   21.3216   15.1349  C     
5    C        30.7899   22.0439   16.0558  C     
6    O        30.9188   23.4015   16.0997  O     
7    C        35.2167   31.3790   17.2071  C     
8    C        34.7411   32.3622   16.3246  C     
9    C        33.9774   31.9726   15.2114  C     
10   C        34.9244   30.0281   16.9764  C     
11   C        34.1310   29.6072   15.8751  C     
12   C        33.6867   30.6110   14.9618  C     
13   C        32.8683   30.2978   13.7554  C     
14   C        32.7215   28.7904   13.4299  C     
15   C        33.8353   28.1457   15.6203  C     
16   C        32.5450   27.9689   14.7344  C     
17   C        33.3777   25.7529   16.6068  C     
18   C        33.7721   27.2322   16.8959  C     
19   C        32.0569   25.6162   15.7736  C     
20   C        32.2628   26.4522   14.4658  C     
21   C        31.0638   26.0466   13.5844  C     
22   C        30.8189   24.5550   13.9276  C     
23   C        30.8499   26.1016   16.6766  C     
24   O        35.0383   33.6779   16.4918  O     
25   O        29.9702   21.4324   16.9421  O     
26   H        33.4631   23.7114   13.8912  H     
27   H        33.6292   23.1848   15.5703  H     
28   H        33.0258   21.3906   13.7748  H     
29   H        31.3298   20.3567   14.9901  H     
30   H        35.7886   31.6462   18.0092  H     
31   H        33.6398   32.6952   14.5695  H     
32   H        35.3266   29.3485   17.6244  H     
33   H        31.8713   30.7164   13.9094  H     
34   H        33.3013   30.7897   12.8825  H     
35   H        31.8584   28.6564   12.7705  H     
36   H        33.6078   28.4438   12.8898  H     
37   H        34.6880   27.7808   15.0405  H     
38   H        31.6853   28.3869   15.2612  H     
39   H        34.2185   25.3129   16.0653  H     
40   H        33.2807   25.2082   17.5508  H     
41   H        34.7575   27.1954   17.3697  H     
42   H        33.0839   27.6709   17.6232  H     
43   H        33.1533   26.0801   13.9412  H     
44   H        30.1866   26.6498   13.8303  H     
45   H        31.2865   26.1744   12.5225  H     
46   H        31.0538   23.9326   13.0569  H     
47   H        29.7565   24.4063   14.1513  H     
48   H        29.8929   26.0085   16.1620  H     
49   H        30.9411   27.1391   16.9917  H     
50   H        30.7928   25.4978   17.5854  H     
51   H        34.8613   33.8839   17.4470  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 2
     7    4    5 1
     8    5    6 1
     9    5   25 2
    10    7    8 2
    11    7   10 1
    12    8    9 1
    13    8   24 1
    14    9   12 2
    15   10   11 2
    16   11   12 1
    17   11   15 1
    18   12   13 1
    19   13   14 1
    20   14   16 1
    21   15   16 1
    22   15   18 1
    23   16   20 1
    24   17   18 1
    25   17   19 1
    26   19   20 1
    27   19   23 1
    28   20   21 1
    29   21   22 1
    30    2   26 1
    31    2   27 1
    32    3   28 1
    33    4   29 1
    34    7   30 1
    35    9   31 1
    36   10   32 1
    37   13   33 1
    38   13   34 1
    39   14   35 1
    40   14   36 1
    41   15   37 1
    42   16   38 1
    43   17   39 1
    44   17   40 1
    45   18   41 1
    46   18   42 1
    47   20   43 1
    48   21   44 1
    49   21   45 1
    50   22   46 1
    51   22   47 1
    52   23   48 1
    53   23   49 1
    54   23   50 1
    55   24   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2029
  Crash		| -0.3508
  Polar		| 1.3375
  FragIndex	| 1
  FragRMSD	| 0.197