@<TRIPOS>MOLECULE
BindingDB_26464
 49 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.0843   -3.7331   20.5849  C     
2    C        24.6631   -4.8765   19.8568  C     
3    O        25.4334   -5.7615   20.5291  O     
4    O        24.7591   -4.8636   18.5072  O     
5    C        25.1065   -2.5674   20.7743  C     
6    C        26.2587   -2.4333   19.7352  C     
7    C        27.1348   -1.2779   20.0170  C     
8    O        27.8747   -1.2380   21.1490  O     
9    O        27.2631   -0.2747   19.1190  O     
10   N        22.8630   -3.2953   19.9817  N     
11   C        20.0230   -3.3508   20.6953  C     
12   C        18.5839   -1.3618   20.7224  C     
13   C        18.2325   -0.0901   20.2605  C     
14   C        17.1590    0.5596   20.7662  C     
15   C        16.4552    0.0127   21.8123  C     
16   C        16.7192   -1.2266   22.2671  C     
17   C        17.7768   -1.9662   21.7269  C     
18   C        18.0631   -3.2761   22.1630  C     
19   C        19.1723   -3.9620   21.6380  C     
20   C        19.7067   -2.0574   20.2220  C     
21   S        21.4278   -4.1814   20.0865  S     
22   O        21.6948   -5.5127   20.9165  O     
23   O        21.1150   -4.7417   18.6334  O     
24   O        16.8009    1.7536   20.2513  O     
25   C        15.7279    1.7063   19.2785  C     
26   C        14.3173    1.7781   19.9372  C     
27   C        13.1887    1.0893   19.1341  C     
28   C        13.1841   -0.4506   19.2376  C     
29   H        23.8305   -4.0862   21.5921  H     
30   H        24.5494   -1.6214   20.7984  H     
31   H        25.5696   -2.6923   21.7577  H     
32   H        26.8878   -3.3262   19.7705  H     
33   H        25.8415   -2.3479   18.7301  H     
34   H        22.9222   -2.6301   19.2721  H     
35   H        18.7473    0.3277   19.5202  H     
36   H        15.7466    0.5445   22.2601  H     
37   H        16.1823   -1.5906   23.0234  H     
38   H        17.4748   -3.7344   22.8600  H     
39   H        19.3548   -4.9163   21.9659  H     
40   H        20.2995   -1.6248   19.5101  H     
41   H        15.8509    2.5823   18.6361  H     
42   H        15.8086    0.8407   18.6110  H     
43   H        14.3419    1.3450   20.9362  H     
44   H        14.0491    2.8278   20.0739  H     
45   H        12.2240    1.4514   19.5058  H     
46   H        13.2723    1.3665   18.0829  H     
47   H        14.0383   -0.8688   18.7049  H     
48   H        12.2740   -0.8491   18.7864  H     
49   H        13.2247   -0.7706   20.2834  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1   10 1
     4    2    3 2
     5    2    4 1
     6    5    6 1
     7    6    7 1
     8    7    8 2
     9    7    9 1
    10   10   21 1
    11   11   19 2
    12   11   20 1
    13   11   21 1
    14   12   13 1
    15   12   17 1
    16   12   20 2
    17   13   14 2
    18   14   15 1
    19   14   24 1
    20   15   16 2
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   21   22 2
    25   21   23 2
    26   24   25 1
    27   25   26 1
    28   26   27 1
    29   27   28 1
    30    1   29 1
    31    5   30 1
    32    5   31 1
    33    6   32 1
    34    6   33 1
    35   10   34 1
    36   13   35 1
    37   15   36 1
    38   16   37 1
    39   18   38 1
    40   19   39 1
    41   20   40 1
    42   25   41 1
    43   25   42 1
    44   26   43 1
    45   26   44 1
    46   27   45 1
    47   27   46 1
    48   28   47 1
    49   28   48 1
    50   28   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2503
  Crash		| -1.7795
  Polar		| 6.0422
  FragIndex	| 1
  FragRMSD	| 0.624