LAMMPS data with labels (Moon-ki Choi/Ilia Nikiforov) 

   10 atoms
   4 bonds
   0 angles
   0 dihedrals

   3 atom types
   1 bond types
   0 angle types
   0 dihedral types

 -2.699500000000000e+00    2.699500000000000e+00 xlo xhi
 -1.558500000000000e+00    1.558500000000000e+00 ylo yhi
 -2.297500000000000e+00    2.297500000000000e+00 zlo zhi

Atom Type Labels

  1 IHOP
  2 ONI2
  3 NIO2

Bond Type Labels

  1 ONI2-IHOP

Atoms

  1 1 3 1.360000000000000e+00 -2.699500010000000e+00 -1.558500000000000e+00 -2.297500000000000e+00   0   0   0
  2 1 2 -9.600000000000000e-01 -1.799699615000000e+00 0.000000000000000e+00 -1.148750000000000e+00   0   0   0
  3 1 1 2.800000000000000e-01 -1.799699615000000e+00 0.000000000000000e+00 -2.085004800000000e-02   0   0   0
  4 1 2 -9.600000000000000e-01 -8.998992210000000e-01 -1.558500000000000e+00 -3.446250000000000e+00   0   0   0
  5 1 1 2.800000000000000e-01 -8.998992210000000e-01 -1.558500000000000e+00 -4.574149952000000e+00   0   0   0
  6 1 2 -9.600000000000000e-01 8.997015680000000e-01 -1.558500000000000e+00 -1.148750000000000e+00   0   0   0
  7 1 1 2.800000000000000e-01 8.997015680000000e-01 -1.558500000000000e+00 -2.085004800000000e-02   0   0   0
  8 1 3 1.360000000000000e+00 -9.882600000000001e-05 0.000000000000000e+00 -2.297500000000000e+00   0   0   0
  9 1 2 -9.600000000000000e-01 -3.599498037000000e+00 0.000000000000000e+00 -3.446250000000000e+00   0   0   0
  10 1 1 2.800000000000000e-01 -3.599498037000000e+00 0.000000000000000e+00 -4.574149952000000e+00   0   0   0

Bonds

  1  1 2 3
  2  1 4 5
  3  1 6 7
  4  1 9 10