@<TRIPOS>MOLECULE
BindingDB_16501
 51 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.5957   18.8759   -8.8891  C     
2    C         7.0940   20.2543   -8.4136  C     
3    O         8.7201   18.4345   -8.1238  O     
4    C        10.0190   18.8088   -8.2391  C     
5    O        10.4403   19.6717   -9.1874  O     
6    C        10.9907   18.2644   -7.2973  C     
7    C        12.1979   17.4998   -7.8037  C     
8    C        13.3022   17.1298   -6.9535  C     
9    O        13.4515   15.9320   -6.7177  O     
10   N        14.1451   18.0535   -6.4912  N     
11   C        15.3665   17.8056   -5.7632  C     
12   C        15.2692   16.7545   -4.7460  C     
13   O        14.2137   16.5517   -4.1506  O     
14   C        15.9503   19.1470   -5.2142  C     
15   C        14.9668   19.9467   -4.3188  C     
16   O        11.0146   16.8269   -7.3290  O     
17   N        16.3214   15.9798   -4.5240  N     
18   C        16.3836   14.6959   -3.8643  C     
19   C        15.4614   14.5042   -2.7182  C     
20   O        14.9280   13.2804   -2.4777  O     
21   O        15.1462   15.4924   -1.8580  O     
22   C        17.8689   14.3557   -3.4835  C     
23   C        18.7432   14.1224   -4.7551  C     
24   O        17.1555   18.9334   -4.4718  O     
25   C        18.5372   15.4256   -2.5522  C     
26   C        19.6780   14.8886   -1.6486  C     
27   H         6.7867   18.1507   -8.7481  H     
28   H         7.8438   18.9043   -9.9562  H     
29   H         6.8409   20.2123   -7.3533  H     
30   H         6.2016   20.5414   -8.9760  H     
31   H         7.8618   21.0142   -8.5602  H     
32   H        11.0143   18.6480   -6.2775  H     
33   H        12.3011   17.3405   -8.8807  H     
34   H        13.9258   18.9714   -6.7151  H     
35   H        16.0744   17.4524   -6.5231  H     
36   H        16.1984   19.7841   -6.0690  H     
37   H        14.0713   20.2251   -4.8846  H     
38   H        15.4416   20.8763   -3.9725  H     
39   H        14.6766   19.3576   -3.4463  H     
40   H        17.1241   16.2198   -5.0217  H     
41   H        16.0718   13.9722   -4.6210  H     
42   H        17.8634   13.4051   -2.9425  H     
43   H        18.3112   13.3354   -5.3774  H     
44   H        19.7516   13.8058   -4.4902  H     
45   H        18.8218   15.0276   -5.3606  H     
46   H        17.8528   18.8379   -5.1528  H     
47   H        18.9308   16.2590   -3.1462  H     
48   H        17.7940   15.8546   -1.8793  H     
49   H        19.2865   14.1496   -0.9457  H     
50   H        20.1157   15.7136   -1.0743  H     
51   H        20.4704   14.4252   -2.2406  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   16 1
     8    7    8 1
     9    7   16 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   17 am
    17   14   15 1
    18   14   24 1
    19   17   18 1
    20   18   19 1
    21   18   22 1
    22   19   20 2
    23   19   21 1
    24   22   23 1
    25   22   25 1
    26   25   26 1
    27    1   27 1
    28    1   28 1
    29    2   29 1
    30    2   30 1
    31    2   31 1
    32    6   32 1
    33    7   33 1
    34   10   34 1
    35   11   35 1
    36   14   36 1
    37   15   37 1
    38   15   38 1
    39   15   39 1
    40   17   40 1
    41   18   41 1
    42   22   42 1
    43   23   43 1
    44   23   44 1
    45   23   45 1
    46   24   46 1
    47   25   47 1
    48   25   48 1
    49   26   49 1
    50   26   50 1
    51   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6890
  Crash		| -1.4132
  Polar		| 3.5663
  FragIndex	| 1
  FragRMSD	| 1.021