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


@<TRIPOS>ATOM
1    N        92.9645   68.6518   -4.2986  N     
2    C        91.6864   68.2214   -4.0167  C     
3    N        92.5584   68.1994   -6.5898  N     
4    C        93.3712   68.6257   -5.5876  C     
5    C        90.8363   67.7852   -5.0237  C     
6    C        91.2997   67.7810   -6.3205  C     
7    N        91.0171   68.1379   -2.8527  N     
8    N        89.6667   67.4622   -4.4554  N     
9    C        89.7858   67.6732   -3.1346  C     
10   O        94.5061   69.0083   -5.8507  O     
11   O        90.4984   67.4395   -7.1783  O     
12   C        93.7794   69.1132   -3.1945  C     
13   C        93.0451   68.2030   -7.9589  C     
14   H        88.8721   67.1344   -4.9086  H     
15   H        89.0514   67.5133   -2.4427  H     
16   H        93.3023   69.9681   -2.7056  H     
17   H        94.7858   69.4225   -3.4880  H     
18   H        93.8867   68.3175   -2.4613  H     
19   H        93.3252   69.2175   -8.2532  H     
20   H        92.3265   67.8432   -8.6946  H     
21   H        93.9256   67.5616   -8.0337  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	| 1.3142
  Crash		| -0.4922
  Polar		| 0.9968
  FragIndex	| 1
  FragRMSD	| 0.322