@<TRIPOS>MOLECULE
BindingDB_30199
 39 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       239.5205   82.7792  184.0642  C     
2    C       240.8828   83.1403  183.9277  C     
3    N       241.2109   84.1671  183.1045  N     
4    C       240.3007   84.8555  182.3806  C     
5    C       238.9391   84.5168  182.4697  C     
6    C       238.5234   83.4815  183.3427  C     
7    C       237.1333   83.2024  183.5030  C     
8    C       234.9413   83.3289  183.2252  C     
9    N       236.1367   83.6991  182.7388  N     
10   C       236.5277   82.4525  184.5149  C     
11   C       232.4500   83.0132  183.5587  C     
12   C       233.5965   83.6982  182.7428  C     
13   C       235.1518   82.5534  184.3563  C     
14   C       234.1026   82.0780  185.1117  C     
15   N       232.8453   82.3158  184.7520  N     
16   O       234.3063   81.4376  186.1294  O     
17   C       241.9117   82.4760  184.6237  C     
18   C       243.6845   82.4837  186.3219  C     
19   C       243.9418   81.1197  186.0703  C     
20   C       243.1923   80.4408  185.0943  C     
21   C       242.1899   81.1141  184.3716  C     
22   C       242.6853   83.1578  185.5981  C     
23   N       244.9026   80.4711  186.7500  N     
24   H       239.2653   82.0151  184.6921  H     
25   H       240.6109   85.6206  181.7855  H     
26   H       238.2678   85.0394  181.9095  H     
27   H       236.2621   84.2612  181.9596  H     
28   H       236.9954   81.9520  185.2753  H     
29   H       231.7164   83.7733  183.8399  H     
30   H       231.9407   82.2889  182.9195  H     
31   H       233.5055   84.7847  182.8208  H     
32   H       233.5158   83.4296  181.6838  H     
33   H       232.1415   81.9574  185.3141  H     
34   H       244.2273   82.9924  187.0255  H     
35   H       243.3785   79.4541  184.8914  H     
36   H       241.6709   80.6048  183.6557  H     
37   H       242.5042   84.1451  185.8014  H     
38   H       245.0821   79.5361  186.5649  H     
39   H       245.4266   80.9377  187.4260  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    1   24 1
    28    4   25 1
    29    5   26 1
    30    9   27 1
    31   10   28 1
    32   11   29 1
    33   11   30 1
    34   12   31 1
    35   12   32 1
    36   15   33 1
    37   18   34 1
    38   20   35 1
    39   21   36 1
    40   22   37 1
    41   23   38 1
    42   23   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8636
  Crash		| -0.9504
  Polar		| 0.0049
  FragIndex	| 1
  FragRMSD	| 1.268