@<TRIPOS>MOLECULE
BindingDB_24128
 48 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.7567   79.6397   46.8029  C     
2    C        23.1960   79.9424   45.5577  C     
3    C        22.3571   81.0646   45.3882  C     
4    C        22.1055   81.9247   46.4997  C     
5    C        23.5160   80.4602   47.9222  C     
6    C        22.7356   81.6402   47.7564  C     
7    C        24.0763   80.0332   49.2525  C     
8    C        22.5280   82.5241   48.9515  C     
9    C        23.4531   80.8395   50.4375  C     
10   N        23.4023   82.2435   50.0766  N     
11   C        21.1857   83.1009   46.3754  C     
12   C        21.7705   81.2868   44.0358  C     
13   C        25.5770   80.0158   49.3563  C     
14   C        28.4023   79.9646   49.6589  C     
15   C        27.8169   80.7442   48.6495  C     
16   C        26.4202   80.7753   48.5062  C     
17   C        26.1924   79.2303   50.3682  C     
18   C        27.5933   79.2140   50.5295  C     
19   C        23.9380   83.2177   50.8418  C     
20   O        24.0146   82.9899   52.0481  O     
21   N        24.3807   84.4183   50.4119  N     
22   C        25.0948   84.5503   49.1487  C     
23   C        24.4753   85.5491   51.3147  C     
24   O        28.1832   78.5137   51.5311  O     
25   H        24.3304   78.7996   46.8936  H     
26   H        23.3860   79.3097   44.7757  H     
27   H        23.7345   78.9987   49.3863  H     
28   H        22.5911   83.5675   48.6521  H     
29   H        21.4982   82.3667   49.2930  H     
30   H        22.4316   80.4806   50.6207  H     
31   H        24.0111   80.6448   51.3616  H     
32   H        21.7467   84.0244   46.5184  H     
33   H        20.4042   83.0332   47.1299  H     
34   H        20.6804   83.1822   45.4154  H     
35   H        22.1012   80.5527   43.3023  H     
36   H        22.0602   82.2699   43.6648  H     
37   H        20.6816   81.2294   44.0951  H     
38   H        29.4166   79.9594   49.7731  H     
39   H        28.4083   81.3009   48.0258  H     
40   H        26.0199   81.3629   47.7723  H     
41   H        25.6130   78.6788   51.0072  H     
42   H        25.6485   83.6339   48.9048  H     
43   H        25.8374   85.3556   49.1846  H     
44   H        24.4123   84.7805   48.3225  H     
45   H        23.7717   85.4783   52.1489  H     
46   H        24.2417   86.4714   50.7729  H     
47   H        25.4894   85.6255   51.7193  H     
48   H        27.5166   77.8862   51.8823  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   12 1
     6    4    6 1
     7    4   11 1
     8    5    6 2
     9    5    7 1
    10    6    8 1
    11    7    9 1
    12    7   13 1
    13    8   10 1
    14    9   10 1
    15   10   19 am
    16   13   16 2
    17   13   17 1
    18   14   15 2
    19   14   18 1
    20   15   16 1
    21   17   18 2
    22   18   24 1
    23   19   20 2
    24   19   21 am
    25   21   22 1
    26   21   23 1
    27    1   25 1
    28    2   26 1
    29    7   27 1
    30    8   28 1
    31    8   29 1
    32    9   30 1
    33    9   31 1
    34   11   32 1
    35   11   33 1
    36   11   34 1
    37   12   35 1
    38   12   36 1
    39   12   37 1
    40   14   38 1
    41   15   39 1
    42   16   40 1
    43   17   41 1
    44   22   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   23   47 1
    50   24   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4989
  Crash		| -0.8333
  Polar		| 1.2526
  FragIndex	| 1
  FragRMSD	| 0.112