@<TRIPOS>MOLECULE
BindingDB_5461
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.0238   28.5806    8.0697  C     
2    C         1.7495   29.2116    6.5719  C     
3    C        -0.3604   29.9405    8.1775  C     
4    C         0.3824   30.8860    7.4773  C     
5    C        -1.1541   31.8888    8.6288  C     
6    N        -1.3081   30.5757    8.8819  N     
7    N        -0.1328   32.0810    7.7783  N     
8    N         1.0318   28.2689    7.2578  N     
9    N         1.4298   30.5312    6.6909  N     
10   O        -0.7271   27.6798    8.8336  O     
11   C        -0.4591   26.2727    8.6761  C     
12   C        -1.1220   25.4925    9.8346  C     
13   C        -1.2485   23.9801    9.5572  C     
14   N         2.7797   28.8398    5.7980  N     
15   H        -1.7296   32.6295    9.0223  H     
16   H         0.1908   32.9390    7.4570  H     
17   H        -0.8688   25.9374    7.7230  H     
18   H         0.6168   26.0695    8.6904  H     
19   H        -0.5305   25.6396   10.7458  H     
20   H        -2.1199   25.9010   10.0168  H     
21   H        -1.9546   23.7937    8.7494  H     
22   H        -1.6034   23.4660   10.4490  H     
23   H        -0.2765   23.5681    9.2815  H     
24   H         3.3343   29.5117    5.3716  H     
25   H         3.0168   27.9008    5.7203  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    8 2
     3    1   10 1
     4    2    8 1
     5    2    9 2
     6    2   14 1
     7    3    4 2
     8    3    6 1
     9    4    7 1
    10    4    9 1
    11    5    6 2
    12    5    7 1
    13   10   11 1
    14   11   12 1
    15   12   13 1
    16    5   15 1
    17    7   16 1
    18   11   17 1
    19   11   18 1
    20   12   19 1
    21   12   20 1
    22   13   21 1
    23   13   22 1
    24   13   23 1
    25   14   24 1
    26   14   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9055
  Crash		| -0.2811
  Polar		| 4.8438
  FragIndex	| 1
  FragRMSD	| 0.216