molstruct88_Apr_30_1993_11:02:29 <molecule> 0x1d00
Written by Molecular Editor on <date>
Using data dictionary         9/9/93  4:47 AM
Version 6
local_transform
0.100000 0.000000 0.000000 0.000000
0.000000 0.100000 0.000000 0.000000
0.000000 0.000000 0.100000 0.000000
0.000000 0.000000 0.000000 1.000000
object_class atom
property xyz_coordinates MoleculeEditor angstrom 6 3 FLOAT
property anum MoleculeEditor unit 0 1 INTEGER
property sym MoleculeEditor noUnit 0 2 STRING
property chrg MoleculeEditor charge_au 0 1 INTEGER
property rflag MoleculeEditor noUnit 0 1 HEX
ID xyz_coordinates             anum sym	chrg rflag
  1   0.012383   1.497328   0.000000  6  C  0 0x7052
  2   0.075274  -0.018127   0.000000  8  O  0 0x7052
  3   0.484390  -0.405301   0.799226  1  H  0 0x7052
  4   0.484390  -0.405301  -0.799226  1  H  0 0x7052
  5   1.026021   1.878145   0.000000  1  H  0 0x7052
  6  -0.541230   1.739128  -0.897468  1  H  0 0x7052
  7  -0.541230   1.739128   0.897468  1  H  0 0x7052
property_flags:
object_class bond
property rflag MoleculeEditor noUnit 0 1 HEX
property type MoleculeEditor noUnit 0 1 NAME
property bond_order MoleculeEditor noUnit 4 1 FLOAT
ID rflag type bond_order
  1 0x7005 single
  2 0x7005 single
  3 0x7005 single
  4 0x7005 single
  5 0x7005 single
  6 0x7005 single
  7 0x7005 single
  8 0x7005 single
  9 0x7005 single
 10 0x7005 single
 11 0x7005 single
 12 0x7005 single
property_flags:
object_class connector
property dflag MoleculeEditor noUnit 0 1 HEX
property objCls1 MoleculeEditor noUnit 0 1 NAME
property objCls2 MoleculeEditor noUnit 0 1 NAME
property objID1 MoleculeEditor noUnit 0 1 INTEGER
property objID2 MoleculeEditor noUnit 0 1 INTEGER
ID dflag objCls1 objCls2 objID1 objID2
  1 0xa1 atom bond 1 1
  2 0xa1 atom bond 2 1
  3 0xa1 atom bond 1 3
  4 0xa1 atom bond 5 3
  5 0xa1 atom bond 1 5
  6 0xa1 atom bond 6 5
  7 0xa1 atom bond 1 7
  8 0xa1 atom bond 7 7
  9 0xa1 atom bond 2 9
 10 0xa1 atom bond 3 9
 11 0xa1 atom bond 2 11
 12 0xa1 atom bond 4 11
property_flags: