@<TRIPOS>MOLECULE
BindingDB_50132286
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        33.2307   24.0143   85.6728  N     
2    C        33.6296   23.2594   84.6289  C     
3    N        34.9221   23.1557   84.3409  N     
4    C        31.8298   24.0976   86.0624  C     
5    C        34.1833   24.6423   86.4258  C     
6    C        35.5027   24.5592   86.1413  C     
7    C        35.8493   23.7699   85.0674  C     
8    P        30.8869   26.2790   91.3207  P     
9    O        31.5091   25.3277   86.7251  O     
10   C        31.4597   22.9789   87.0597  C     
11   C        30.3791   25.1148   87.5960  C     
12   C        30.3540   23.5939   87.9379  C     
13   C        30.4793   26.1338   88.7854  C     
14   O        32.8530   22.6341   83.9145  O     
15   O        30.2491   25.5431   90.1026  O     
16   O        30.9833   27.8230   91.1785  O     
17   O        30.0722   25.9492   92.5843  O     
18   O        32.2056   25.7252   91.5348  O     
19   O        37.0130   23.5928   84.7421  O     
20   C        36.5050   25.2974   86.9096  C     
21   O        29.0767   23.0134   87.6595  O     
22   O        37.4769   24.4079   87.4538  O     
23   H        35.1945   22.6083   83.5883  H     
24   H        31.1633   24.0328   85.1895  H     
25   H        33.9059   25.1768   87.2208  H     
26   H        31.1184   22.0764   86.5335  H     
27   H        32.3180   22.7136   87.6877  H     
28   H        29.4855   25.3562   87.0013  H     
29   H        30.5937   23.3907   88.9962  H     
30   H        31.4547   26.6648   88.7174  H     
31   H        29.6789   26.8988   88.6451  H     
32   H        37.0027   26.0176   86.2612  H     
33   H        36.0729   25.8510   87.7430  H     
34   H        28.4524   23.4797   88.2531  H     
35   H        38.1360   24.9912   87.8874  H     
@<TRIPOS>BOND
     1    1    2 1
     2    4    1 1
     3    1    5 1
     4    2    3 1
     5    2   14 2
     6    3    7 1
     7    4    9 1
     8    4   10 1
     9    5    6 2
    10    6    7 1
    11    6   20 1
    12    7   19 2
    13    8   15 1
    14    8   16 1
    15    8   17 1
    16    8   18 2
    17    9   11 1
    18   10   12 1
    19   11   12 1
    20   11   13 1
    21   12   21 1
    22   13   15 1
    23   20   22 1
    24    3   23 1
    25    4   24 1
    26    5   25 1
    27   10   26 1
    28   10   27 1
    29   11   28 1
    30   12   29 1
    31   13   30 1
    32   13   31 1
    33   20   32 1
    34   20   33 1
    35   21   34 1
    36   22   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5597
  Crash		| -0.8298
  Polar		| 4.6604
  FragIndex	| 1
  FragRMSD	| 0.798