@<TRIPOS>MOLECULE
BindingDB_30196
 38 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       235.8212   82.7943  183.8561  C     
2    C       236.7037   83.8614  183.5591  C     
3    N       236.1543   85.0746  183.2740  N     
4    C       234.8220   85.3189  183.2718  C     
5    C       233.9257   84.2754  183.5564  C     
6    C       234.4149   82.9800  183.8518  C     
7    C       233.5317   81.8918  184.1221  C     
8    C       232.8386   79.8745  184.7247  C     
9    N       233.9095   80.6679  184.5566  N     
10   C       232.1362   81.8634  184.0154  C     
11   C       231.3574   77.8605  185.0923  C     
12   C       232.7842   78.4878  185.2272  C     
13   C       231.7003   80.6018  184.3987  C     
14   C       230.4386   80.0565  184.4983  C     
15   N       230.2801   78.7852  184.8494  N     
16   O       229.4504   80.7290  184.2498  O     
17   C       238.1219   83.7201  183.5362  C     
18   C       240.3053   84.2413  182.5301  C     
19   C       240.9629   83.4218  183.4688  C     
20   C       240.2005   82.7572  184.4490  C     
21   C       238.7998   82.9081  184.4759  C     
22   C       238.9060   84.3923  182.5693  C     
23   C       242.2609   83.2877  183.4383  C     
24   N       243.4007   83.1703  183.4146  N     
25   H       236.2049   81.8628  184.0365  H     
26   H       234.4728   86.2615  183.0767  H     
27   H       232.9276   84.4836  183.5402  H     
28   H       234.8214   80.3958  184.7358  H     
29   H       231.5239   82.6232  183.7071  H     
30   H       231.3577   77.1458  184.2649  H     
31   H       231.1262   77.3022  186.0025  H     
32   H       233.5072   77.8795  184.6787  H     
33   H       233.0831   78.5060  186.2791  H     
34   H       229.3732   78.4361  184.8844  H     
35   H       240.8378   84.7276  181.7982  H     
36   H       240.6504   82.1751  185.1623  H     
37   H       238.2838   82.4272  185.2168  H     
38   H       238.4583   84.9720  181.8545  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   19   23 1
    26   20   21 2
    27   23   24 3
    28    1   25 1
    29    4   26 1
    30    5   27 1
    31    9   28 1
    32   10   29 1
    33   11   30 1
    34   11   31 1
    35   12   32 1
    36   12   33 1
    37   15   34 1
    38   18   35 1
    39   20   36 1
    40   21   37 1
    41   22   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1323
  Crash		| -0.2402
  Polar		| 2.5022
  FragIndex	| 1
  FragRMSD	| 0.713