@<TRIPOS>MOLECULE
BindingDB_35536
 49 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.5065   11.4321   -9.9091  C     
2    C        13.7176   11.3389  -10.6153  C     
3    C        14.8088   12.1697  -10.2788  C     
4    C        14.6561   13.1417   -9.2466  C     
5    C        13.4199   13.2377   -8.5560  C     
6    C        12.3462   12.3508   -8.8486  C     
7    C        11.1812   12.4166   -8.0516  C     
8    O        13.2250   14.1641   -7.5580  O     
9    C        12.0569   14.2700   -6.8553  C     
10   C        11.0114   13.3719   -7.0994  C     
11   O        10.2144   11.5009   -8.2022  O     
12   O        12.0455   15.1073   -5.7921  O     
13   C         8.7808   11.5582   -4.9136  C     
14   C         9.8419   12.3655   -5.1726  C     
15   C        10.9179   12.2925   -4.2736  C     
16   O        10.7929   11.5439   -3.1501  O     
17   C         9.6835   10.8498   -2.8489  C     
18   C         8.6656   10.8029   -3.7481  C     
19   C         7.5078   10.1225   -3.4102  C     
20   C         9.5549   10.3001   -1.5663  C     
21   C         8.3057    9.7195   -1.2039  C     
22   C         7.3085    9.6188   -2.1764  C     
23   O         7.7759   11.5139   -5.7899  O     
24   O        12.1163   12.8878   -4.4476  O     
25   C         9.8295   13.3880   -6.2327  C     
26   C        16.0487   12.0510  -10.9196  C     
27   C        17.0913   12.8244  -10.5361  C     
28   C        16.9429   13.7712   -9.5601  C     
29   C        15.7644   13.9472   -8.9311  C     
30   C        10.5852   10.3747   -0.6010  C     
31   C        10.3765    9.9130    0.7123  C     
32   C         9.1264    9.3932    1.0802  C     
33   C         8.0963    9.2924    0.1249  C     
34   H        11.7502   10.8060  -10.1779  H     
35   H        13.8008   10.6401  -11.3562  H     
36   H        10.6425   10.6325   -8.3723  H     
37   H         6.7793   10.0141   -4.0742  H     
38   H         6.4463    9.1628   -1.9637  H     
39   H         7.0502   12.0417   -5.3800  H     
40   H         9.7144   14.3462   -5.7207  H     
41   H         8.9519   13.3198   -6.8781  H     
42   H        16.1887   11.3666  -11.6233  H     
43   H        17.9764   12.7046  -10.9688  H     
44   H        17.7244   14.3264   -9.2985  H     
45   H        15.6934   14.6480   -8.2318  H     
46   H        11.4937   10.7794   -0.8291  H     
47   H        11.1248    9.9810    1.4068  H     
48   H         8.9631    9.0940    2.0488  H     
49   H         7.1879    8.9358    0.4161  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3   26 1
     6    4    5 2
     7    4   29 1
     8    5    6 1
     9    5    8 1
    10    6    7 1
    11    7   10 2
    12    7   11 1
    13    8    9 1
    14    9   10 1
    15    9   12 2
    16   10   25 1
    17   13   14 2
    18   13   18 1
    19   13   23 1
    20   14   15 1
    21   14   25 1
    22   15   16 1
    23   15   24 2
    24   16   17 1
    25   17   18 2
    26   17   20 1
    27   18   19 1
    28   19   22 2
    29   20   21 1
    30   20   30 2
    31   21   22 1
    32   21   33 2
    33   26   27 2
    34   27   28 1
    35   28   29 2
    36   30   31 1
    37   31   32 2
    38   32   33 1
    39    1   34 1
    40    2   35 1
    41   11   36 1
    42   19   37 1
    43   22   38 1
    44   23   39 1
    45   25   40 1
    46   25   41 1
    47   26   42 1
    48   27   43 1
    49   28   44 1
    50   29   45 1
    51   30   46 1
    52   31   47 1
    53   32   48 1
    54   33   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.3205
  Crash		| -1.8462
  Polar		| 1.2042
  FragIndex	| 1
  FragRMSD	| 0.656