@<TRIPOS>MOLECULE
BindingDB_10847
 21 22 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        92.6871   72.8056   -5.9821  N     
2    C        93.0201   73.9913   -6.5981  C     
3    N        91.6303   74.0498   -4.2570  N     
4    C        91.9911   72.8660   -4.8238  C     
5    C        92.6675   75.2108   -6.0362  C     
6    C        91.9689   75.2186   -4.8475  C     
7    N        93.7096   74.2462   -7.7256  N     
8    N        93.1413   76.1782   -6.8300  N     
9    C        93.7762   75.5849   -7.8520  C     
10   O        91.6880   71.8168   -4.2611  O     
11   O        91.7052   76.3179   -4.3744  O     
12   C        93.1364   71.5784   -6.6012  C     
13   C        90.8822   74.0383   -3.0083  C     
14   H        93.0562   77.1337   -6.6864  H     
15   H        94.2545   76.0764   -8.6066  H     
16   H        92.7301   71.5007   -7.6117  H     
17   H        92.8382   70.6789   -6.0593  H     
18   H        94.2258   71.5790   -6.6577  H     
19   H        89.9460   73.4888   -3.1426  H     
20   H        90.6194   75.0272   -2.6289  H     
21   H        91.4682   73.5410   -2.2297  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1   12 1
     4    2    5 2
     5    2    7 1
     6    3    4 1
     7    3    6 1
     8    3   13 1
     9    4   10 2
    10    5    6 1
    11    5    8 1
    12    6   11 2
    13    7    9 2
    14    8    9 1
    15    8   14 1
    16    9   15 1
    17   12   16 1
    18   12   17 1
    19   12   18 1
    20   13   19 1
    21   13   20 1
    22   13   21 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.0644
  Crash		| -0.0241
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.216