@<TRIPOS>MOLECULE
BindingDB_36589
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.5037   28.4807   18.6878  C     
2    C        17.4389   27.3836   19.7887  C     
3    C        16.8688   27.9707   21.1019  C     
4    C        15.6652   28.7722   20.9068  C     
5    C        15.1604   29.0720   19.5555  C     
6    C        16.3403   29.5472   18.6157  C     
7    O        18.0769   27.9947   17.4624  O     
8    O        14.0987   30.0631   19.5340  O     
9    C        18.9034   28.8830   18.2275  C     
10   C        15.8630   29.8727   17.1329  C     
11   C        15.8383   31.2899   16.5088  C     
12   C        16.4807   32.5913   17.0481  C     
13   C        17.9402   32.6419   17.0575  C     
14   C        18.7208   33.5389   16.4167  C     
15   C        20.0839   33.7421   16.9065  C     
16   C        18.2344   34.3095   15.2830  C     
17   C        12.8321   29.6834   20.1155  C     
18   O        16.8808   30.3567   16.2413  O     
19   C        15.0658   28.7847   16.3661  C     
20   O        15.2497   29.3908   21.8794  O     
21   O        16.8078   30.7426   19.2510  O     
22   H        16.7747   26.5903   19.4396  H     
23   H        18.4164   26.9350   19.9864  H     
24   H        16.6559   27.1538   21.7930  H     
25   H        17.6411   28.5992   21.5553  H     
26   H        14.7675   28.1309   19.1521  H     
27   H        19.0538   29.8321   17.7138  H     
28   H        19.7752   28.3701   18.6373  H     
29   H        15.1849   31.4071   15.6431  H     
30   H        16.0572   33.4486   16.5198  H     
31   H        16.2007   32.7093   18.0900  H     
32   H        18.3820   32.0849   17.7595  H     
33   H        20.0539   34.0295   17.9586  H     
34   H        20.6137   34.5338   16.3778  H     
35   H        20.6588   32.8208   16.8107  H     
36   H        17.9772   33.6251   14.4702  H     
37   H        18.9761   35.0201   14.9072  H     
38   H        17.3487   34.8838   15.5578  H     
39   H        12.4675   28.7432   19.6953  H     
40   H        12.1046   30.4657   19.8924  H     
41   H        12.9031   29.5844   21.1987  H     
42   H        15.4881   27.8001   16.5724  H     
43   H        15.0823   28.9388   15.2826  H     
44   H        14.0295   28.8013   16.7002  H     
45   H        17.1836   30.4792   20.1170  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1    7 1
     4    1    9 1
     5    2    3 1
     6    3    4 1
     7    4    5 1
     8    4   20 2
     9    5    6 1
    10    5    8 1
    11    6   10 1
    12    6   21 1
    13    7    9 1
    14    8   17 1
    15   10   11 1
    16   10   18 1
    17   10   19 1
    18   11   12 1
    19   11   18 1
    20   12   13 1
    21   13   14 2
    22   14   15 1
    23   14   16 1
    24    2   22 1
    25    2   23 1
    26    3   24 1
    27    3   25 1
    28    5   26 1
    29    9   27 1
    30    9   28 1
    31   11   29 1
    32   12   30 1
    33   12   31 1
    34   13   32 1
    35   15   33 1
    36   15   34 1
    37   15   35 1
    38   16   36 1
    39   16   37 1
    40   16   38 1
    41   17   39 1
    42   17   40 1
    43   17   41 1
    44   19   42 1
    45   19   43 1
    46   19   44 1
    47   21   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4764
  Crash		| -2.4493
  Polar		| 0.0001
  FragIndex	| 1
  FragRMSD	| 1.162