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


@<TRIPOS>ATOM
1    N        93.2935   69.0273   -4.2665  N     
2    C        92.0646   68.5906   -3.8260  C     
3    N        92.6910   68.3345   -6.4594  N     
4    C        93.5867   68.8638   -5.5786  C     
5    C        91.1272   68.0696   -4.7090  C     
6    C        91.4524   67.9836   -6.0460  C     
7    N        91.5203   68.5615   -2.5917  N     
8    N        90.0425   67.7363   -4.0014  N     
9    C        90.2900   68.0367   -2.7144  C     
10   O        94.6933   69.2110   -5.9804  O     
11   O        90.5765   67.5707   -6.7994  O     
12   C        94.1790   69.6345   -3.2971  C     
13   C        93.0892   68.1213   -7.8426  C     
14   H        89.2279   67.3472   -4.3536  H     
15   H        89.6390   67.8920   -1.9425  H     
16   H        93.7053   70.5224   -2.8779  H     
17   H        95.1364   69.9449   -3.7167  H     
18   H        94.3871   68.9307   -2.4909  H     
19   H        93.3880   69.0661   -8.2985  H     
20   H        92.3106   67.6871   -8.4799  H     
21   H        93.9437   67.4422   -7.8715  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	| 5.5391
  Crash		| -0.1966
  Polar		| 1.9526
  FragIndex	| 1
  FragRMSD	| 0.166