molstruct88_Apr_30_1993_11:02:29 0x1d00 Written by Molecular Editor on 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 -0.007797 0.904585 0.015498 8 O 0 0x7052 2 0.103455 -0.063612 0.099782 1 H 0 0x7052 3 0.839088 1.347951 0.221940 1 H 0 0x7052 4 -0.611025 1.369157 -1.339634 6 C 0 0x7052 5 -0.619394 2.869269 -1.338480 6 C 0 0x7052 6 -1.259754 3.378695 -2.640771 6 C 0 0x7052 7 -1.303676 4.903892 -2.673748 6 C 0 0x7052 8 0.015806 0.920676 -2.105687 1 H 0 0x7052 9 -1.597879 0.919055 -1.302919 1 H 0 0x7052 10 -1.186555 3.233270 -0.480323 1 H 0 0x7052 11 0.403270 3.251530 -1.272252 1 H 0 0x7052 12 -0.690735 3.004840 -3.494830 1 H 0 0x7052 13 -2.272359 2.977784 -2.723258 1 H 0 0x7052 14 -1.757636 5.248323 -3.600742 1 H 0 0x7052 15 -1.893153 5.293948 -1.844575 1 H 0 0x7052 16 -0.300657 5.325637 -2.612999 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 18 0x7005 single 19 0x7005 single 20 0x7005 single 21 0x7005 single 22 0x7005 single 23 0x7005 single 24 0x7005 single 25 0x7005 single 26 0x7005 single 27 0x7005 single 28 0x7005 single 29 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 4 5 7 0xa1 atom bond 4 7 8 0xa1 atom bond 5 7 9 0xa1 atom bond 4 9 10 0xa1 atom bond 8 9 11 0xa1 atom bond 4 11 12 0xa1 atom bond 9 11 13 0xa1 atom bond 5 13 14 0xa1 atom bond 6 13 15 0xa1 atom bond 5 15 16 0xa1 atom bond 10 15 17 0xa1 atom bond 5 17 18 0xa1 atom bond 11 17 19 0xa1 atom bond 6 19 20 0xa1 atom bond 7 19 21 0xa1 atom bond 6 21 22 0xa1 atom bond 12 21 23 0xa1 atom bond 6 23 24 0xa1 atom bond 13 23 25 0xa1 atom bond 7 25 26 0xa1 atom bond 14 25 27 0xa1 atom bond 7 27 28 0xa1 atom bond 15 27 29 0xa1 atom bond 7 29 30 0xa1 atom bond 16 29 property_flags: