@<TRIPOS>MOLECULE
BindingDB_16510
 47 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.6124   19.5347   -7.5434  C     
2    O         8.5268   19.6531   -8.8846  O     
3    C         9.8477   19.0381   -6.9349  C     
4    C        10.5815   17.8381   -7.5178  C     
5    C        11.9992   17.7252   -7.2485  C     
6    O        12.7098   17.4458   -8.2064  O     
7    N        12.4994   17.9400   -6.0359  N     
8    C        13.8912   17.9142   -5.6606  C     
9    O        13.6685   16.3993   -3.9126  O     
10   O         9.6723   17.7136   -6.4129  O     
11   C        14.2010   19.1702   -4.7757  C     
12   C        15.6561   19.7426   -4.8729  C     
13   C        16.0999   19.9486   -6.3481  C     
14   C        15.7783   21.0778   -4.0812  C     
15   C        14.1869   16.6402   -5.0021  C     
16   N        14.9479   15.7388   -5.6142  N     
17   C        15.2945   14.4319   -5.1346  C     
18   C        16.7921   14.2838   -4.7391  C     
19   C        17.8560   14.0042   -5.8537  C     
20   C        17.2788   13.1856   -7.0380  C     
21   C        18.5741   15.2829   -6.3682  C     
22   O         7.6334   20.0635   -6.7736  O     
23   H        10.3604   19.6727   -6.2109  H     
24   H        10.1882   17.4515   -8.4633  H     
25   H        11.8765   18.2179   -5.3459  H     
26   H        14.5111   17.9878   -6.5637  H     
27   H        13.5132   19.9788   -5.0530  H     
28   H        13.9820   18.9229   -3.7316  H     
29   H        16.3420   19.0287   -4.4053  H     
30   H        16.2607   18.9868   -6.8357  H     
31   H        17.0359   20.5080   -6.3976  H     
32   H        15.3396   20.5011   -6.9040  H     
33   H        15.0871   21.8286   -4.4706  H     
34   H        16.7942   21.4725   -4.1503  H     
35   H        15.5572   20.9162   -3.0236  H     
36   H        15.2539   15.9595   -6.5107  H     
37   H        14.6950   14.1696   -4.2569  H     
38   H        15.0564   13.7121   -5.9225  H     
39   H        17.0841   15.1734   -4.1767  H     
40   H        16.8331   13.4457   -4.0368  H     
41   H        18.6368   13.3918   -5.3941  H     
42   H        16.7743   12.2910   -6.6661  H     
43   H        18.0801   12.8663   -7.7168  H     
44   H        16.5646   13.7894   -7.6009  H     
45   H        17.8734   15.9563   -6.8647  H     
46   H        19.3597   15.0152   -7.0842  H     
47   H        19.0485   15.8158   -5.5391  H     
@<TRIPOS>BOND
     1    1    2 2
     2    3    1 1
     3    1   22 1
     4    3    4 1
     5    3   10 1
     6    4    5 1
     7    4   10 1
     8    5    6 2
     9    5    7 am
    10    7    8 1
    11    8   11 1
    12    8   15 1
    13    9   15 2
    14   11   12 1
    15   12   13 1
    16   12   14 1
    17   15   16 am
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   19   21 1
    23    3   23 1
    24    4   24 1
    25    7   25 1
    26    8   26 1
    27   11   27 1
    28   11   28 1
    29   12   29 1
    30   13   30 1
    31   13   31 1
    32   13   32 1
    33   14   33 1
    34   14   34 1
    35   14   35 1
    36   16   36 1
    37   17   37 1
    38   17   38 1
    39   18   39 1
    40   18   40 1
    41   19   41 1
    42   20   42 1
    43   20   43 1
    44   20   44 1
    45   21   45 1
    46   21   46 1
    47   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7472
  Crash		| -1.1624
  Polar		| 1.9921
  FragIndex	| 1
  FragRMSD	| 0.794