File: AssignBondOrderProcessor_test_AMHTAR01.mol2

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@<TRIPOS>MOLECULE
AMHTAR01
   15    14    1     0    0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
   1 O1       6.0329     4.1505     3.0521 O.3      1  CHGB -0.6500
   2 O2       6.0663     6.3454     3.3434 O.2      1  CHGB -0.5700
   3 O3       3.3628     6.5809     2.4858 O.3      1  CHGB -0.6800
   4 O4       3.0917     4.7690     4.8310 O.3      1  CHGB -0.6800
   5 O5       1.4779     4.5967     1.7561 O.2      1  CHGB -0.9000
   6 O6       0.9232     3.6514     3.7696 O.3      1  CHGB -0.9000
   7 C1       5.4114     5.3557     3.0467 C.2      1  CHGB  0.6590
   8 C2       3.9637     5.2827     2.5659 C.3      1  CHGB  0.3410
   9 C3       3.1574     4.3301     3.4494 C.3      1  CHGB  0.1740
  10 C4       1.7124     4.1626     2.9176 C.2      1  CHGB  0.9060
  11 H1       4.0141     4.9060     1.5362 H        1  CHGB  0.0000
  12 H2       3.6146     3.3340     3.4620 H        1  CHGB  0.0000
  13 H3       2.4715     6.3966     2.1130 H        1  CHGB  0.4000
  14 H4       2.1962     4.4581     5.1047 H        1  CHGB  0.4000
  15 H5       6.9144     4.3825     3.4068 H        1  CHGB  0.5000
@<TRIPOS>BOND
   1    1    7 1 
   2    1   15 1 
   3    2    7 2 
   4    3    8 1 
   5    3   13 1 
   6    4    9 1 
   7    4   14 1 
   8    5   10 2 
   9    6   10 1 
  10    7    8 1 
  11    8    9 1 
  12    8   11 1 
  13    9   10 1 
  14    9   12 1 
@<TRIPOS>SUBSTRUCTURE
   1  CHGB    1
@<TRIPOS>COMMENT
COMMENT AMMONIUM HYDROGEN D-TARTRATE (REDETERMINATION OF VAN BOMMEL