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  -0.134835   1.482473   0.029822  6  C  0 0x7052
  2   0.005026  -0.008844   0.014142  6  C  0 0x7052
  3   1.299314   2.070233   0.020760  8  O  0 0x7052
  4   1.335978   3.047674   0.023685  1  H  0 0x7052
  5   1.865079   1.722258   0.738779  1  H  0 0x7052
  6  -0.545632   1.902776  -0.881498  1  H  0 0x7052
  7  -0.609477   1.889501   0.917360  1  H  0 0x7052
  8  -1.002365  -0.423443  -0.036288  1  H  0 0x7052
  9   0.556488  -0.347136  -0.859473  1  H  0 0x7052
 10   0.466425  -0.385492   0.925710  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
 13 0x7005 single  
 14 0x7005 single
 15 0x7005 single
 16 0x7005 single
 17 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 3 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 8 9
 11 0xa1 atom bond 2 11
 12 0xa1 atom bond 9 11
 13 0xa1 atom bond 2 13
 14 0xa1 atom bond 10 13
 15 0xa1 atom bond 3 15
 16 0xa1 atom bond 4 15
 17 0xa1 atom bond 3 17
 18 0xa1 atom bond 5 17
property_flags: