@<TRIPOS>MOLECULE
BindingDB_50160905
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.4670   42.4126   13.6013  N     
2    C        26.8978   43.1295   14.6801  C     
3    C        27.5398   43.2424   17.0644  C     
4    N        28.5325   43.3201   19.3213  N     
5    C        27.7654   44.6374   16.9621  C     
6    C        27.0964   42.5087   15.9413  C     
7    O        26.2227   42.9675   12.4450  O     
8    O        26.2779   41.2241   13.6433  O     
9    C        27.7473   42.5296   18.3512  C     
10   C        28.1951   45.4525   18.1445  C     
11   C        27.1640   44.5125   14.5882  C     
12   C        27.5959   45.2563   15.7035  C     
13   C        28.0560   44.7125   19.5123  C     
14   O        28.2350   48.5299   20.0953  O     
15   C        28.7597   47.9051   21.2565  C     
16   C        28.8423   45.3302   20.7124  C     
17   C        28.1593   46.4948   21.4889  C     
18   H        28.5151   42.8357   20.2186  H     
19   H        29.5009   43.3589   18.9938  H     
20   H        26.9192   41.5091   16.0451  H     
21   H        26.7773   42.2712   18.7807  H     
22   H        28.3014   41.6052   18.1762  H     
23   H        29.2386   45.7431   17.9884  H     
24   H        27.5876   46.3580   18.1855  H     
25   H        27.0527   45.0010   13.6937  H     
26   H        27.7776   46.2590   15.5904  H     
27   H        26.9938   44.6699   19.7896  H     
28   H        27.3944   48.9385   20.4002  H     
29   H        29.8491   47.8451   21.1650  H     
30   H        28.5317   48.5442   22.1118  H     
31   H        28.9790   44.5195   21.4431  H     
32   H        29.8434   45.6185   20.3908  H     
33   H        28.2743   46.2849   22.5606  H     
34   H        27.0889   46.5153   21.2879  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    7 1
     3    1    8 2
     4    2    6 1
     5    2   11 2
     6    3    5 1
     7    3    6 2
     8    3    9 1
     9    4    9 1
    10    4   13 1
    11    5   10 1
    12    5   12 2
    13   10   13 1
    14   11   12 1
    15   13   16 1
    16   14   15 1
    17   15   17 1
    18   16   17 1
    19    4   18 1
    20    4   19 1
    21    6   20 1
    22    9   21 1
    23    9   22 1
    24   10   23 1
    25   10   24 1
    26   11   25 1
    27   12   26 1
    28   13   27 1
    29   14   28 1
    30   15   29 1
    31   15   30 1
    32   16   31 1
    33   16   32 1
    34   17   33 1
    35   17   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9787
  Crash		| -0.7694
  Polar		| 4.1532
  FragIndex	| 1
  FragRMSD	| 0.338