@<TRIPOS>MOLECULE
BindingDB_16509
 55 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.5411   18.7736   -4.2631  C     
2    C        14.2164   17.8199   -6.1109  C     
3    O        15.1888   17.4505   -6.7495  O     
4    C        12.9175   17.6408   -6.7016  C     
5    C        11.6994   17.3287   -5.8492  C     
6    C        10.3626   17.4610   -6.3790  C     
7    O         9.9577   16.6743   -7.2413  O     
8    N         9.5294   18.2830   -5.7468  N     
9    C         8.0900   18.1408   -5.7278  C     
10   C         7.4613   18.9851   -6.7613  C     
11   O         7.6428   20.1911   -6.6498  O     
12   C         7.4950   18.2825   -4.2689  C     
13   C         8.6123   18.1742   -3.1799  C     
14   C         6.5965   19.5299   -3.9701  C     
15   C         5.1176   19.3406   -4.3780  C     
16   O        12.4779   16.2991   -6.4692  O     
17   C         5.7539   17.1442   -9.4737  C     
18   C         6.6100   17.1733   -8.1955  C     
19   C         6.1105   19.4352   -8.7720  C     
20   C         5.8869   18.5640  -10.0299  C     
21   N         6.7603   18.5550   -7.8313  N     
22   C         4.8403   20.0049   -8.2428  C     
23   O         4.1635   20.8707   -9.0255  O     
24   O         4.0916   19.3229   -7.3464  O     
25   N        14.3276   18.4431   -4.9500  N     
26   C        15.8705   20.2766   -4.4309  C     
27   C        14.7053   21.2018   -4.0147  C     
28   H        15.4114   18.5360   -3.2068  H     
29   H        16.3940   18.1923   -4.6222  H     
30   H        12.7751   17.9161   -7.7506  H     
31   H        11.8285   17.2997   -4.7616  H     
32   H         9.9311   18.8613   -5.0692  H     
33   H         7.8970   17.0888   -5.9624  H     
34   H         6.8734   17.3928   -4.0996  H     
35   H         9.2510   17.3060   -3.3584  H     
36   H         8.1631   18.0769   -2.1894  H     
37   H         9.2322   19.0766   -3.1864  H     
38   H         6.5840   19.7618   -2.9028  H     
39   H         6.9880   20.4135   -4.4733  H     
40   H         5.0276   18.9654   -5.4020  H     
41   H         4.5851   20.2899   -4.3049  H     
42   H         4.6430   18.6175   -3.7048  H     
43   H         6.1069   16.3955  -10.1889  H     
44   H         4.7104   16.9331   -9.2274  H     
45   H         6.1230   16.5979   -7.4058  H     
46   H         7.5905   16.7411   -8.4080  H     
47   H         6.7746   20.2621   -9.0480  H     
48   H         6.7767   18.6169  -10.6699  H     
49   H         5.0106   18.8537  -10.6166  H     
50   H        13.5022   18.7295   -4.5325  H     
51   H        16.7405   20.5203   -3.8166  H     
52   H        16.1290   20.4744   -5.4770  H     
53   H        13.8096   20.9698   -4.5904  H     
54   H        14.9758   22.2413   -4.2101  H     
55   H        14.4774   21.0819   -2.9540  H     
@<TRIPOS>BOND
     1    1   25 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   25 am
     6    4    5 1
     7    4   16 1
     8    5    6 1
     9    5   16 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   21 am
    17   12   13 1
    18   12   14 1
    19   14   15 1
    20   17   18 1
    21   17   20 1
    22   18   21 1
    23   19   20 1
    24   19   21 1
    25   19   22 1
    26   22   23 2
    27   22   24 1
    28   26   27 1
    29    1   28 1
    30    1   29 1
    31    4   30 1
    32    5   31 1
    33    8   32 1
    34    9   33 1
    35   12   34 1
    36   13   35 1
    37   13   36 1
    38   13   37 1
    39   14   38 1
    40   14   39 1
    41   15   40 1
    42   15   41 1
    43   15   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   20   48 1
    50   20   49 1
    51   25   50 1
    52   26   51 1
    53   26   52 1
    54   27   53 1
    55   27   54 1
    56   27   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5114
  Crash		| -1.3681
  Polar		| 4.3227
  FragIndex	| 1
  FragRMSD	| 1.156