@<TRIPOS>MOLECULE
BindingDB_35526
 43 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.2360   14.3741   -9.0050  C     
2    C        15.0063   13.9419  -10.1128  C     
3    C        14.6727   12.7211  -10.7319  C     
4    C        13.6136   11.9317  -10.2468  C     
5    C        12.8786   12.3692   -9.1381  C     
6    C        13.1572   13.6018   -8.5083  C     
7    C        12.3410   14.0085   -7.4359  C     
8    O        11.8552   11.6103   -8.6440  O     
9    C        11.0749   12.0170   -7.6076  C     
10   C        11.2840   13.2647   -7.0217  C     
11   O        12.6513   15.1474   -6.8123  O     
12   O        10.1121   11.1665   -7.1694  O     
13   C         9.0777   12.0665   -4.7025  C     
14   C        10.1885   12.8307   -4.8821  C     
15   C        11.2669   12.6385   -4.0017  C     
16   O        11.1820   11.7403   -2.9826  O     
17   C        10.0827   10.9530   -2.8088  C     
18   C         9.0089   11.0727   -3.7238  C     
19   C         7.9395   10.1554   -3.6273  C     
20   C        10.0556   10.0098   -1.7700  C     
21   C         8.9693    9.1237   -1.6646  C     
22   C         7.9164    9.1845   -2.6043  C     
23   O         8.0370   12.2372   -5.5181  O     
24   O        12.4270   13.3329   -4.1071  O     
25   C        10.3340   13.7558   -6.0078  C     
26   C        16.1195   14.7831  -10.6068  C     
27   C         6.7709    8.2593   -2.5335  C     
28   H        14.4734   15.2707   -8.5678  H     
29   H        15.2100   12.3867  -11.5374  H     
30   H        13.3856   11.0503  -10.7064  H     
31   H        12.4406   15.8619   -7.4580  H     
32   H         7.1730   10.1783   -4.3064  H     
33   H        10.8274    9.9564   -1.0942  H     
34   H         8.9581    8.4370   -0.8989  H     
35   H         8.2538   11.6473   -6.3005  H     
36   H        10.6061   14.7282   -5.5839  H     
37   H         9.3936   13.9400   -6.5280  H     
38   H        15.7373   15.7566  -10.9324  H     
39   H        16.6366   14.3202  -11.4543  H     
40   H        16.8515   14.9399   -9.8076  H     
41   H         5.8461    8.8242   -2.3918  H     
42   H         6.8859    7.5692   -1.6961  H     
43   H         6.6993    7.6787   -3.4578  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   26 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7   10 2
    11    7   11 1
    12    8    9 1
    13    9   10 1
    14    9   12 2
    15   10   25 1
    16   13   14 2
    17   13   18 1
    18   13   23 1
    19   14   15 1
    20   14   25 1
    21   15   16 1
    22   15   24 2
    23   16   17 1
    24   17   18 2
    25   17   20 1
    26   18   19 1
    27   19   22 2
    28   20   21 2
    29   21   22 1
    30   22   27 1
    31    1   28 1
    32    3   29 1
    33    4   30 1
    34   11   31 1
    35   19   32 1
    36   20   33 1
    37   21   34 1
    38   23   35 1
    39   25   36 1
    40   25   37 1
    41   26   38 1
    42   26   39 1
    43   26   40 1
    44   27   41 1
    45   27   42 1
    46   27   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.4774
  Crash		| -2.9933
  Polar		| 0.9080
  FragIndex	| 1
  FragRMSD	| 1.476