@<TRIPOS>MOLECULE
BindingDB_11428
 67 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.0500   28.1584   28.6234  C     
2    C        25.6223   27.1783   27.8680  C     
3    C        26.6295   27.5504   26.9302  C     
4    C        26.4311   29.7731   27.6352  C     
5    C        26.5722   31.1448   27.6583  C     
6    C        25.7053   31.5741   28.6583  C     
7    N        24.0376   27.9104   29.4568  N     
8    C        22.8664   27.2765   29.1916  C     
9    C        22.0783   26.9130   30.2994  C     
10   C        22.3882   26.9901   27.8898  C     
11   C        21.1899   26.2785   27.7080  C     
12   C        20.4521   25.8498   28.8288  C     
13   C        20.8941   26.1814   30.1233  C     
14   S        19.0347   24.8757   28.5968  S     
15   O        18.0613   24.9384   29.8527  O     
16   O        18.1675   25.5516   27.4509  O     
17   N        19.3637   23.2633   28.1885  N     
18   C        19.6032   22.3414   29.2671  C     
19   C        19.9666   23.0152   26.9062  C     
20   N        25.4884   29.4284   28.5335  N     
21   N        27.0149   28.8489   26.8302  N     
22   N        25.0635   30.4967   29.1493  N     
23   C        27.4276   31.9290   26.7483  C     
24   C        26.5711   32.8470   25.8544  C     
25   C        28.4853   32.7065   27.5478  C     
26   N        27.1740   26.7192   26.0015  N     
27   C        26.7722   25.3655   25.8116  C     
28   C        27.8133   24.4839   25.0782  C     
29   C        25.4279   25.3336   25.0248  C     
30   C        24.8514   23.8968   25.0433  C     
31   C        25.8641   22.8795   24.4222  C     
32   C        27.3122   23.0119   24.9974  C     
33   N        25.3685   21.5163   24.6305  N     
34   H        25.2240   26.2359   27.8401  H     
35   H        25.5499   32.5358   28.9553  H     
36   H        24.1329   28.2446   30.3593  H     
37   H        22.3897   27.1285   31.2478  H     
38   H        22.9017   27.3022   27.0608  H     
39   H        20.8737   26.0753   26.7614  H     
40   H        20.3681   25.8762   30.9425  H     
41   H        20.5738   22.5330   29.7184  H     
42   H        19.5899   21.3054   28.9057  H     
43   H        18.8278   22.4210   30.0298  H     
44   H        19.4913   23.6057   26.1236  H     
45   H        19.8622   21.9630   26.6274  H     
46   H        21.0297   23.2592   26.9416  H     
47   H        27.9684   31.2642   26.0818  H     
48   H        25.9192   32.2439   25.2299  H     
49   H        27.2147   33.4379   25.2003  H     
50   H        25.9528   33.5144   26.4567  H     
51   H        27.9992   33.4069   28.2300  H     
52   H        29.1235   33.2588   26.8553  H     
53   H        29.1033   32.0179   28.1220  H     
54   H        27.7839   27.1028   25.3488  H     
55   H        26.6362   24.9197   26.8085  H     
56   H        27.9842   24.8750   24.0710  H     
57   H        28.7627   24.5188   25.6203  H     
58   H        24.7554   26.0815   25.4848  H     
59   H        25.5836   25.6450   23.9746  H     
60   H        24.6379   23.6069   26.0809  H     
61   H        23.9160   23.8711   24.4817  H     
62   H        25.9049   23.0626   23.3423  H     
63   H        28.0034   22.4475   24.3658  H     
64   H        27.3490   22.5732   26.0072  H     
65   H        25.4544   21.2659   25.6223  H     
66   H        25.9157   20.8624   24.0648  H     
67   H        24.3837   21.4653   24.3628  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3   21 2
     6    3   26 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   23 1
    12    6   22 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   14 1
    21   14   15 2
    22   14   16 2
    23   14   17 1
    24   17   18 1
    25   17   19 1
    26   20   22 1
    27   23   24 1
    28   23   25 1
    29   27   26 1
    30   27   28 1
    31   27   29 1
    32   28   32 1
    33   29   30 1
    34   30   31 1
    35   31   32 1
    36   31   33 1
    37    2   34 1
    38    6   35 1
    39    7   36 1
    40    9   37 1
    41   10   38 1
    42   11   39 1
    43   13   40 1
    44   18   41 1
    45   18   42 1
    46   18   43 1
    47   19   44 1
    48   19   45 1
    49   19   46 1
    50   23   47 1
    51   24   48 1
    52   24   49 1
    53   24   50 1
    54   25   51 1
    55   25   52 1
    56   25   53 1
    57   26   54 1
    58   27   55 1
    59   28   56 1
    60   28   57 1
    61   29   58 1
    62   29   59 1
    63   30   60 1
    64   30   61 1
    65   31   62 1
    66   32   63 1
    67   32   64 1
    68   33   65 1
    69   33   66 1
    70   33   67 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7193
  Crash		| -7.0062
  Polar		| 2.3390
  FragIndex	| 1
  FragRMSD	| 0.826