@<TRIPOS>MOLECULE
BindingDB_50267380
 56 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.5740   24.3351   14.9674  C     
2    C        32.7850   23.4185   14.5449  C     
3    C        32.3258   21.9860   14.1652  C     
4    C        31.5826   21.2873   15.3434  C     
5    C        30.6765   22.2198   16.0523  C     
6    O        30.7215   23.5619   15.8486  O     
7    C        35.2523   31.3378   17.3274  C     
8    C        34.8267   32.3646   16.4730  C     
9    C        34.0817   32.0463   15.3253  C     
10   C        34.9240   30.0035   17.0432  C     
11   C        34.1347   29.6538   15.9159  C     
12   C        33.7439   30.7058   15.0306  C     
13   C        32.9191   30.4609   13.8112  C     
14   C        32.7107   28.9727   13.4347  C     
15   C        33.7942   28.2152   15.6092  C     
16   C        32.5055   28.1077   14.7084  C     
17   C        33.2719   25.7991   16.4881  C     
18   C        33.6946   27.2548   16.8480  C     
19   C        31.9556   25.7212   15.6380  C     
20   C        32.1879   26.6133   14.3746  C     
21   C        30.9788   26.2859   13.4771  C     
22   C        30.7249   24.7790   13.7199  C     
23   C        30.7582   26.2032   16.5571  C     
24   O        35.1257   33.6517   16.7681  O     
25   O        29.8705   21.7827   17.0455  O     
26   C        30.8152   20.0328   14.8505  C     
27   H        33.3422   23.8587   13.7142  H     
28   H        33.4743   23.2986   15.3832  H     
29   H        31.6825   22.0349   13.2841  H     
30   H        33.2057   21.3943   13.8909  H     
31   H        32.3292   20.9575   16.0709  H     
32   H        35.8087   31.5606   18.1608  H     
33   H        33.7868   32.8022   14.7053  H     
34   H        35.2772   29.2950   17.6849  H     
35   H        31.9362   30.9163   13.9788  H     
36   H        33.3727   30.9639   12.9521  H     
37   H        31.8400   28.8989   12.7767  H     
38   H        33.5793   28.6117   12.8774  H     
39   H        34.6401   27.8437   15.0165  H     
40   H        31.6548   28.5334   15.2433  H     
41   H        34.1102   25.3717   15.9337  H     
42   H        33.1589   25.2146   17.4053  H     
43   H        34.6723   27.1742   17.3290  H     
44   H        33.0100   27.6769   17.5838  H     
45   H        33.0700   26.2418   13.8339  H     
46   H        30.1105   26.8822   13.7714  H     
47   H        31.1912   26.4890   12.4280  H     
48   H        30.9917   24.2236   12.8179  H     
49   H        29.6547   24.6181   13.8949  H     
50   H        29.7986   26.1427   16.0416  H     
51   H        30.8655   27.2285   16.9059  H     
52   H        30.6884   25.5733   17.4463  H     
53   H        36.1037   33.7195   16.6288  H     
54   H        30.0026   20.3113   14.1730  H     
55   H        30.3935   19.4815   15.6954  H     
56   H        31.4943   19.3592   14.3186  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    5    6 1
    10    5   25 2
    11    7    8 2
    12    7   10 1
    13    8    9 1
    14    8   24 1
    15    9   12 2
    16   10   11 2
    17   11   12 1
    18   11   15 1
    19   12   13 1
    20   13   14 1
    21   14   16 1
    22   15   16 1
    23   15   18 1
    24   16   20 1
    25   17   18 1
    26   17   19 1
    27   19   20 1
    28   19   23 1
    29   20   21 1
    30   21   22 1
    31    2   27 1
    32    2   28 1
    33    3   29 1
    34    3   30 1
    35    4   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
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3274
  Crash		| -0.3121
  Polar		| 0.9632
  FragIndex	| 1
  FragRMSD	| 0.152