@<TRIPOS>MOLECULE
BindingDB_10849
 24 25 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        92.1201   68.3778   -3.8094  C     
2    C        91.0617   67.9399   -4.5945  C     
3    N        93.3297   68.7367   -4.3575  N     
4    N        92.4753   68.1423   -6.4926  N     
5    C        93.4809   68.5893   -5.6919  C     
6    C        91.2706   67.8276   -5.9632  C     
7    N        91.7157   68.4226   -2.5321  N     
8    N        90.0055   67.7527   -3.7693  N     
9    C        90.4292   68.0346   -2.5183  C     
10   O        94.5647   68.8928   -6.1862  O     
11   O        90.3317   67.4389   -6.6484  O     
12   C        94.3297   69.3016   -3.4760  C     
13   C        92.7167   68.0197   -7.9215  C     
14   C        88.6720   67.3764   -4.1178  C     
15   H        89.8588   67.9861   -1.6711  H     
16   H        93.9381   70.2229   -3.0348  H     
17   H        95.2692   69.5430   -3.9723  H     
18   H        94.5527   68.6010   -2.6712  H     
19   H        92.9793   68.9939   -8.3418  H     
20   H        91.8616   67.6465   -8.4887  H     
21   H        93.5424   67.3263   -8.0998  H     
22   H        88.2972   68.0241   -4.9127  H     
23   H        87.9869   67.4645   -3.2696  H     
24   H        88.6578   66.3429   -4.4694  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    7 1
     4    2    6 1
     5    2    8 1
     6    3    5 1
     7    3   12 1
     8    4    5 1
     9    4    6 1
    10    4   13 1
    11    5   10 2
    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
    23   14   22 1
    24   14   23 1
    25   14   24 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.5702
  Crash		| -0.8917
  Polar		| 0.7767
  FragIndex	| 1
  FragRMSD	| 0.582