molstructWIN_Jul_29_1998_09:35:08 \B\molecules\b10h14.csf 0x1b00 Written by Editor on Thu Oct 29 16:33:22 1998 Using Data Dictionary 11/21/97 10:30am Version 6 local_transform -0.114293 0.017011 -0.025541 0.000000 0.007330 0.110777 0.040981 0.000000 0.029799 0.037997 -0.108041 0.000000 0.378459 -0.212891 0.260618 1.000000 object_class WindowView property dflag Linus noUnit 0 1 HEX property ViewerName Linus noUnit 0 32 STRING property ViewClass Linus noUnit 0 9 STRING property WindowRect_TLBR Linus noUnit 0 4 INTEGER property WindowOrder Linus noUnit 0 1 INTEGER ID dflag ViewerName ViewClass WindowRect_TLBR WindowOrder 1 0x0 CAChe CViewMol 0 0 451 831 0 property_flags: object_class atom property dflag Linus noUnit 0 1 HEX property sym Linus noUnit 0 2 STRING property anum Linus unit 0 1 INTEGER property chrg Linus charge_au 0 1 INTEGER property xyz_coordinates Linus angstrom 6 3 FLOAT property conf Linus noUnit 0 1 NAME property rflag Linus noUnit 0 1 HEX property pchrg ZINDO charge_au 4 1 FLOAT ID dflag sym anum chrg xyz_coordinates conf rflag pchrg 1 0x9 H 1 0 1.770856 1.677450 2.317223 sp3 0x7010 0.0138 2 0x9 B 5 0 2.789942 1.086329 2.282387 sp3 0x7010 -0.1559 3 0x9 B 5 0 3.030142 -0.616061 2.331764 sp3 0x7010 -0.0087 4 0x9 B 5 0 3.655580 0.436065 3.636622 sp3 0x7010 -0.0960 5 0x9 B 5 0 3.503948 0.338598 0.893711 sp3 0x7010 -0.0976 6 0x9 B 5 0 4.547854 -0.975525 3.149688 sp3 0x7010 0.0452 7 0x9 B 5 0 4.452500 -1.033420 1.377535 sp3 0x7010 0.0446 8 0x9 B 5 0 5.962854 -0.598273 2.170517 sp3 0x7010 -0.0089 9 0x9 B 5 0 5.475237 0.439911 3.545066 sp3 0x7010 -0.0974 10 0x9 B 5 0 5.323052 0.360043 0.800976 sp3 0x7010 -0.0949 11 0x9 B 5 0 6.179898 1.105852 2.109871 sp3 0x7010 -0.1562 12 0x9 H 1 0 3.508727 1.679195 3.232958 sp3 0x7010 0.1775 13 0x9 H 1 0 3.409462 1.606791 1.219955 sp3 0x7010 0.1792 14 0x9 H 1 0 3.188239 0.501572 4.721025 sp3 0x7010 -0.0074 15 0x9 H 1 0 2.925446 0.320371 -0.136899 sp3 0x7010 -0.0066 16 0x9 H 1 0 2.087915 -1.319879 2.409364 sp3 0x7010 -0.0176 17 0x9 H 1 0 7.192199 1.704801 2.036723 sp3 0x7010 0.0139 18 0x9 H 1 0 6.914512 -1.292177 2.140491 sp3 0x7010 -0.0176 19 0x9 H 1 0 5.562963 1.686174 3.140869 sp3 0x7010 0.1791 20 0x9 H 1 0 5.793332 0.365692 -0.284154 sp3 0x7010 -0.0074 21 0x9 H 1 0 4.420466 -1.970864 0.659015 sp3 0x7010 -0.0253 22 0x9 H 1 0 4.595659 -1.864250 3.927088 sp3 0x7010 -0.0254 23 0x9 H 1 0 5.449014 1.628514 1.127018 sp3 0x7010 0.1767 24 0x9 H 1 0 6.057204 0.498088 4.573186 sp3 0x7010 -0.0070 property_flags: object_class MoleculeView property dflag Linus noUnit 0 1 HEX property ShowHExcep Linus noUnit 0 1 INTEGER property ShowEExcep Linus noUnit 0 1 INTEGER property ShowHydrogens Linus noUnit 0 1 INTEGER property ShowElectrons Linus noUnit 0 1 INTEGER property ShowScrollbar Linus noUnit 0 1 INTEGER property ShowRibbon Linus noUnit 0 1 INTEGER property ElemHistory Linus noUnit 0 7 INTEGER property SelSimOpts Linus noUnit 0 7 INTEGER property chrg Linus charge_au 0 1 INTEGER property conf Linus noUnit 0 1 NAME property type Linus noUnit 0 1 NAME ID dflag ShowHExcep ShowEExcep ShowHydrogens ShowElectrons ShowScrollbar 1 0x0 1 0 1 0 1 property_flags: ID ShowRibbon ElemHistory SelSimOpts chrg conf type 1 1 1 5 35 17 6 7 8 0 1 1 0 0 0 1 0 sp3 single property_flags: object_class connector property dflag ZINDO noUnit 0 1 HEX property objCls1 Erich noUnit 0 1 NAME property objCls2 Erich noUnit 0 1 NAME property objID1 Erich noUnit 0 1 INTEGER property objID2 Erich noUnit 0 1 INTEGER ID dflag objCls1 objCls2 objID1 objID2 1 0xa0 atom bond 2 1 2 0xa0 bond BondView 5 5 3 0xa0 atom AtomView 1 1 4 0xa0 WindowView AtomView 1 1 5 0xa0 WindowView BondView 1 5 6 0xa0 bond BondView 1 1 7 0xa0 atom AtomView 2 2 8 0xa0 WindowView AtomView 1 2 9 0xa0 bond BondView 10 10 10 0xa0 bond BondView 8 8 11 0xa0 atom AtomView 3 3 12 0xa0 WindowView AtomView 1 3 13 0xa0 bond BondView 11 11 14 0xa0 bond BondView 2 2 15 0xa0 atom AtomView 4 4 16 0xa0 WindowView AtomView 1 4 17 0xa0 WindowView BondView 1 10 18 0xa0 bond BondView 4 4 19 0xa0 atom AtomView 5 5 20 0xa0 WindowView AtomView 1 5 21 0xa0 bond BondView 19 19 22 0xa0 bond BondView 15 15 23 0xa0 atom AtomView 6 6 24 0xa0 WindowView AtomView 1 6 25 0xa0 bond BondView 18 18 26 0xa0 bond BondView 14 14 27 0xa0 atom AtomView 7 7 28 0xa0 WindowView AtomView 1 7 29 0xa0 bond BondView 20 20 30 0xa0 WindowView BondView 1 18 31 0xa0 atom AtomView 8 8 32 0xa0 WindowView AtomView 1 8 33 0xa0 atom AtomView 19 19 34 0xa0 bond BondView 13 13 35 0xa0 atom AtomView 9 9 36 0xa0 WindowView AtomView 1 9 37 0xa0 atom AtomView 20 20 38 0xa0 bond BondView 12 12 39 0xa0 atom AtomView 10 10 40 0xa0 WindowView AtomView 1 10 41 0xa0 bond BondView 31 31 42 0xa0 bond BondView 22 22 43 0xa0 atom AtomView 11 11 44 0xa0 WindowView AtomView 1 11 45 0xa0 WindowView BondView 1 1 46 0xa0 atom AtomView 12 12 47 0xa0 WindowView AtomView 1 12 48 0xa0 atom bond 12 1 49 0xa0 atom bond 12 2 50 0xa0 atom bond 4 2 51 0xa0 atom bond 2 3 52 0xa0 WindowView BondView 1 2 53 0xa0 bond BondView 3 3 54 0xa0 atom AtomView 13 13 55 0xa0 WindowView AtomView 1 13 56 0xa0 atom bond 13 3 57 0xa0 atom bond 5 4 58 0xa0 WindowView BondView 1 3 59 0xa0 atom bond 13 4 60 0xa0 atom bond 2 5 61 0xa0 WindowView BondView 1 4 62 0xa0 atom bond 1 5 63 0xa0 atom bond 14 6 64 0xa0 bond BondView 6 6 65 0xa0 atom AtomView 14 14 66 0xa0 WindowView AtomView 1 14 67 0xa0 atom bond 4 6 68 0xa0 atom bond 15 7 69 0xa0 WindowView BondView 1 6 70 0xa0 bond BondView 7 7 71 0xa0 atom AtomView 15 15 72 0xa0 WindowView AtomView 1 15 73 0xa0 atom bond 5 7 74 0xa0 atom bond 16 8 75 0xa0 WindowView BondView 1 7 76 0xa0 WindowView BondView 1 8 77 0xa0 atom AtomView 16 16 78 0xa0 WindowView AtomView 1 16 79 0xa0 atom bond 3 8 80 0xa0 atom bond 2 9 81 0xa0 atom bond 3 9 82 0xa0 atom bond 3 10 83 0xa0 bond BondView 9 9 84 0xa0 WindowView BondView 1 9 85 0xa0 atom bond 5 10 86 0xa0 atom bond 2 11 87 0xa0 atom bond 4 11 88 0xa0 atom bond 5 12 89 0xa0 WindowView BondView 1 11 90 0xa0 atom bond 10 12 91 0xa0 atom bond 4 13 92 0xa0 WindowView BondView 1 12 93 0xa0 atom bond 9 13 94 0xa0 atom bond 3 14 95 0xa0 WindowView BondView 1 13 96 0xa0 atom bond 7 14 97 0xa0 atom bond 3 15 98 0xa0 WindowView BondView 1 14 99 0xa0 atom bond 6 15 100 0xa0 atom bond 5 16 101 0xa0 WindowView BondView 1 15 102 0xa0 atom bond 7 16 103 0xa0 atom bond 4 17 104 0xa0 bond BondView 16 16 105 0xa0 WindowView BondView 1 16 106 0xa0 atom bond 6 17 107 0xa0 atom bond 7 18 108 0xa0 bond BondView 17 17 109 0xa0 WindowView BondView 1 17 110 0xa0 atom bond 8 18 111 0xa0 atom bond 6 19 112 0xa0 atom bond 8 19 113 0xa0 atom bond 8 20 114 0xa0 WindowView BondView 1 19 115 0xa0 atom bond 9 20 116 0xa0 atom bond 8 21 117 0xa0 WindowView BondView 1 20 118 0xa0 atom bond 10 21 119 0xa0 atom bond 11 22 120 0xa0 bond BondView 21 21 121 0xa0 WindowView BondView 1 21 122 0xa0 atom bond 8 22 123 0xa0 atom bond 17 23 124 0xa0 WindowView BondView 1 22 125 0xa0 bond BondView 23 23 126 0xa0 atom AtomView 17 17 127 0xa0 WindowView AtomView 1 17 128 0xa0 atom bond 11 23 129 0xa0 atom bond 7 29 130 0xa0 WindowView BondView 1 23 131 0xa0 atom bond 18 24 132 0xa0 atom bond 8 24 133 0xa0 atom AtomView 18 18 134 0xa0 WindowView AtomView 1 18 135 0xa0 bond BondView 24 24 136 0xa0 WindowView BondView 1 24 137 0xa0 atom bond 19 25 138 0xa0 atom bond 9 25 139 0xa0 WindowView AtomView 1 19 140 0xa0 bond BondView 25 25 141 0xa0 WindowView BondView 1 25 142 0xa0 atom bond 20 26 143 0xa0 atom bond 10 26 144 0xa0 WindowView AtomView 1 20 145 0xa0 bond BondView 26 26 146 0xa0 WindowView BondView 1 26 147 0xa0 atom bond 21 27 148 0xa0 atom bond 7 27 149 0xa0 atom AtomView 21 21 150 0xa0 WindowView AtomView 1 21 151 0xa0 bond BondView 27 27 152 0xa0 WindowView BondView 1 27 153 0xa0 atom bond 22 28 154 0xa0 atom bond 6 28 155 0xa0 atom AtomView 22 22 156 0xa0 WindowView AtomView 1 22 157 0xa0 bond BondView 28 28 158 0xa0 WindowView BondView 1 28 159 0xa0 atom bond 10 29 160 0xa0 atom bond 6 30 161 0xa0 bond BondView 29 29 162 0xa0 WindowView BondView 1 29 163 0xa0 atom bond 9 30 164 0xa0 atom bond 19 31 165 0xa0 bond BondView 30 30 166 0xa0 WindowView BondView 1 30 167 0xa0 atom bond 11 31 168 0xa0 atom bond 10 32 169 0xa0 WindowView BondView 1 31 170 0xa0 bond BondView 32 32 171 0xa0 atom AtomView 23 23 172 0xa0 WindowView AtomView 1 23 173 0xa0 atom bond 23 32 174 0xa0 atom bond 23 33 175 0xa0 WindowView BondView 1 32 176 0xa0 atom bond 11 33 177 0xa0 WindowView MoleculeView 1 1 178 0xa0 bond BondView 33 33 179 0xa0 WindowView BondView 1 33 180 0xa0 atom bond 9 34 181 0xa0 atom bond 24 34 182 0xa0 atom AtomView 24 24 183 0xa0 WindowView AtomView 1 24 184 0xa0 bond BondView 34 34 185 0xa0 WindowView BondView 1 34 186 0xa0 WindowView 3DDLPView 1 1 187 0xa1 atom bond 4 35 188 0xa1 atom bond 3 35 189 0xa1 atom bond 5 36 190 0xa1 atom bond 2 36 191 0xa1 atom bond 7 37 192 0xa1 atom bond 6 37 193 0xa1 atom bond 11 38 194 0xa1 atom bond 9 38 195 0xa1 atom bond 11 39 196 0xa1 atom bond 10 39 197 0x80 calculation_history mol_orbital 3 1 198 0xa0 atom sto_basis_fxn 1 1 199 0xa0 atom sto_basis_fxn 2 2 200 0xa0 atom sto_basis_fxn 2 3 201 0xa0 atom sto_basis_fxn 2 4 202 0xa0 atom sto_basis_fxn 2 5 203 0xa0 atom sto_basis_fxn 3 6 204 0xa0 atom sto_basis_fxn 3 7 205 0xa0 atom sto_basis_fxn 3 8 206 0xa0 atom sto_basis_fxn 3 9 207 0xa0 atom sto_basis_fxn 4 10 208 0xa0 atom sto_basis_fxn 4 11 209 0xa0 atom sto_basis_fxn 4 12 210 0xa0 atom sto_basis_fxn 4 13 211 0xa0 atom sto_basis_fxn 5 14 212 0xa0 atom sto_basis_fxn 5 15 213 0xa0 atom sto_basis_fxn 5 16 214 0xa0 atom sto_basis_fxn 5 17 215 0xa0 atom sto_basis_fxn 6 18 216 0xa0 atom sto_basis_fxn 6 19 217 0xa0 atom sto_basis_fxn 6 20 218 0xa0 atom sto_basis_fxn 6 21 219 0xa0 atom sto_basis_fxn 7 22 220 0xa0 atom sto_basis_fxn 7 23 221 0xa0 atom sto_basis_fxn 7 24 222 0xa0 atom sto_basis_fxn 7 25 223 0xa0 atom sto_basis_fxn 8 26 224 0xa0 atom sto_basis_fxn 8 27 225 0xa0 atom sto_basis_fxn 8 28 226 0xa0 atom sto_basis_fxn 8 29 227 0xa0 atom sto_basis_fxn 9 30 228 0xa0 atom sto_basis_fxn 9 31 229 0xa0 atom sto_basis_fxn 9 32 230 0xa0 atom sto_basis_fxn 9 33 231 0xa0 atom sto_basis_fxn 10 34 232 0xa0 atom sto_basis_fxn 10 35 233 0xa0 atom sto_basis_fxn 10 36 234 0xa0 atom sto_basis_fxn 10 37 235 0xa0 atom sto_basis_fxn 11 38 236 0xa0 atom sto_basis_fxn 11 39 237 0xa0 atom sto_basis_fxn 11 40 238 0xa0 atom sto_basis_fxn 11 41 239 0xa0 atom sto_basis_fxn 12 42 240 0xa0 atom sto_basis_fxn 13 43 241 0xa0 atom sto_basis_fxn 14 44 242 0xa0 atom sto_basis_fxn 15 45 243 0xa0 atom sto_basis_fxn 16 46 244 0xa0 atom sto_basis_fxn 17 47 245 0xa0 atom sto_basis_fxn 18 48 246 0xa0 atom sto_basis_fxn 19 49 247 0xa0 atom sto_basis_fxn 20 50 248 0xa0 atom sto_basis_fxn 21 51 249 0xa0 atom sto_basis_fxn 22 52 250 0xa0 atom sto_basis_fxn 23 53 251 0xa0 atom sto_basis_fxn 24 54 252 0xa0 bond BondView 39 35 253 0xa0 WindowView BondView 1 35 254 0xa0 bond BondView 38 36 255 0xa0 WindowView BondView 1 36 256 0xa0 bond BondView 37 37 257 0xa0 WindowView BondView 1 37 258 0xa0 bond BondView 36 38 259 0xa0 WindowView BondView 1 38 260 0xa0 bond BondView 35 39 261 0xa0 WindowView BondView 1 39 property_flags: object_class bond property dflag Linus noUnit 0 1 HEX property type Linus noUnit 0 1 NAME property rflag Linus noUnit 0 1 HEX property BondStrain Isaac kJ/mole 4 1 FLOAT property bond_order ZINDO noUnit 4 1 FLOAT ID dflag type rflag BondStrain bond_order 1 0x9 single 0xf083 30.0280 0.4511 2 0x9 single 0xf083 24.3763 0.4439 3 0x9 single 0xf083 11.0349 0.4475 4 0x9 single 0xf083 10.4548 0.4451 5 0x9 single 0xf083 0.0206 0.9653 6 0x9 single 0xf083 0.0162 0.9572 7 0x9 single 0xf083 0.0133 0.9574 8 0x9 single 0xf083 0.0129 0.9510 9 0x9 single 0xf083 0.3077 0.5891 10 0x9 single 0xf083 0.1707 0.5171 11 0x9 single 0xf083 13.9650 0.5798 12 0x9 single 0xf083 0.0740 0.5579 13 0x9 single 0xf083 0.0000 0.5589 14 0x9 single 0xf083 1.6198 0.5310 15 0x9 single 0xf083 1.6398 0.5325 16 0x9 single 0xf083 0.6726 0.5405 17 0x9 single 0xf083 0.3274 0.5382 18 0x9 single 0xf083 0.2567 0.5329 19 0x9 single 0xf083 2.6559 0.5313 20 0x9 single 0xf083 0.9236 0.5172 21 0x9 single 0xf083 1.4580 0.5182 22 0x9 single 0xf083 3.5455 0.5894 23 0x9 single 0xf083 0.0399 0.9652 24 0x9 single 0xf083 0.0038 0.9509 25 0x9 single 0xf083 3.7437 0.4452 26 0x9 single 0xf083 0.0433 0.9572 27 0x9 single 0xf083 0.0215 0.9394 28 0x9 single 0xf083 0.0004 0.9393 29 0x9 single 0xf083 3.5094 0.5374 30 0x9 single 0xf083 1.3075 0.5396 31 0x9 single 0xf083 2.4788 0.4481 32 0x9 single 0xf083 3.3657 0.4441 33 0x9 single 0xf083 2.9490 0.4514 34 0x9 single 0xf083 0.0006 0.9574 35 0x8 weak 0x7005 0 0.5188 36 0x8 weak 0x7005 0 0.5810 37 0x8 weak 0x7005 0 0.4927 38 0x8 weak 0x7005 0 0.5803 39 0x8 weak 0x7005 0 0.5803 property_flags: 35 01 01 01 00 01 36 01 01 01 00 01 37 01 01 01 00 01 38 01 01 01 00 01 39 01 01 01 00 01 object_class AtomView property dflag Linus noUnit 0 1 HEX property ViewOptions Linus noUnit 0 1 INTEGER property ColorBy Linus noUnit 0 1 INTEGER property ColorLabelBy Linus noUnit 0 1 INTEGER property SphereType Linus noUnit 0 1 INTEGER property RadiusType Linus noUnit 0 1 INTEGER property ColorIndex Linus noUnit 0 1 INTEGER property ScaleFactor Linus angstrom 3 1 FLOAT ID dflag ViewOptions ColorBy ColorLabelBy SphereType RadiusType ColorIndex 1 0x8 832 0 0 0 0 1 2 0x8 832 0 0 0 0 1 3 0x8 832 0 0 0 0 1 4 0x8 832 0 0 0 0 1 5 0x8 832 0 0 0 0 1 6 0x8 832 0 0 0 0 1 7 0x8 832 0 0 0 0 1 8 0x8 832 0 0 0 0 1 9 0x8 832 0 0 0 0 1 10 0x8 832 0 0 0 0 1 11 0x8 832 0 0 0 0 1 12 0x8 832 0 0 0 0 1 13 0x8 832 0 0 0 0 1 14 0x8 832 0 0 0 0 1 15 0x8 832 0 0 0 0 1 16 0x8 832 0 0 0 0 1 17 0x8 832 0 0 0 0 1 18 0x8 832 0 0 0 0 1 19 0x8 832 0 0 0 0 1 20 0x8 832 0 0 0 0 1 21 0x8 832 0 0 0 0 1 22 0x8 832 0 0 0 0 1 23 0x8 832 0 0 0 0 1 24 0x8 832 0 0 0 0 1 property_flags: ID ScaleFactor 1 0.200 2 0.200 3 0.200 4 0.200 5 0.200 6 0.200 7 0.200 8 0.200 9 0.200 10 0.200 11 0.200 12 0.200 13 0.200 14 0.200 15 0.200 16 0.200 17 0.200 18 0.200 19 0.200 20 0.200 21 0.200 22 0.200 23 0.200 24 0.200 property_flags: object_class BondView property dflag Linus noUnit 0 1 HEX property Visible Linus noUnit 0 1 INTEGER property ColorBy Linus noUnit 0 1 INTEGER property ColorIndex Linus noUnit 0 1 INTEGER property DrawType Linus noUnit 0 1 INTEGER property RadiusType Linus noUnit 0 1 INTEGER property ScaleFactor Linus angstrom 3 1 FLOAT ID dflag Visible ColorBy ColorIndex DrawType RadiusType ScaleFactor 1 0x8 1 0 4 3 0 0.100 2 0x8 1 0 4 3 0 0.100 3 0x8 1 0 4 3 0 0.100 4 0x8 1 0 4 3 0 0.100 5 0x8 1 0 4 3 0 0.100 6 0x8 1 0 4 3 0 0.100 7 0x8 1 0 4 3 0 0.100 8 0x8 1 0 4 3 0 0.100 9 0x8 1 0 4 3 0 0.100 10 0x8 1 0 4 3 0 0.100 11 0x8 1 0 4 3 0 0.100 12 0x8 1 0 4 3 0 0.100 13 0x8 1 0 4 3 0 0.100 14 0x8 1 0 4 3 0 0.100 15 0x8 1 0 4 3 0 0.100 16 0x8 1 0 4 3 0 0.100 17 0x8 1 0 4 3 0 0.100 18 0x8 1 0 4 3 0 0.100 19 0x8 1 0 4 3 0 0.100 20 0x8 1 0 4 3 0 0.100 21 0x8 1 0 4 3 0 0.100 22 0x8 1 0 4 3 0 0.100 23 0x8 1 0 4 3 0 0.100 24 0x8 1 0 4 3 0 0.100 25 0x8 1 0 4 3 0 0.100 26 0x8 1 0 4 3 0 0.100 27 0x8 1 0 4 3 0 0.100 28 0x8 1 0 4 3 0 0.100 29 0x8 1 0 4 3 0 0.100 30 0x8 1 0 4 3 0 0.100 31 0x8 1 0 4 3 0 0.100 32 0x8 1 0 4 3 0 0.100 33 0x8 1 0 4 3 0 0.100 34 0x8 1 0 4 3 0 0.100 35 0x8 1 0 4 3 0 0.100 36 0x8 1 0 4 3 0 0.100 37 0x8 1 0 4 3 0 0.100 38 0x8 1 0 4 3 0 0.100 39 0x8 1 0 4 3 0 0.100 property_flags: object_class 3DDLPView property dflag Linus noUnit 0 1 HEX property Projection Linus noUnit 0 1 INTEGER property EyePosition Linus noUnit 0 1 FLOAT property EyeSeparation Linus noUnit 0 1 FLOAT property FrontClip Linus noUnit 0 1 FLOAT property BackClip Linus noUnit 0 1 FLOAT property Stereo Linus noUnit 0 1 INTEGER property UserColors Linus noUnit 0 12 HEX property SpecialColors Linus noUnit 0 3 HEX property FasterMotion Linus noUnit 0 1 INTEGER property LineWidthIdx Linus noUnit 0 1 INTEGER property TextWidthIdx Linus noUnit 0 1 INTEGER property TBActive Linus noUnit 0 1 INTEGER property TBCenterRot Linus noUnit 0 1 INTEGER property TBManipCursor Linus noUnit 0 1 INTEGER property Show3DCursor Linus noUnit 0 1 INTEGER property transform Linus noUnit 4 16 FLOAT property PrintOptions Linus noUnit 0 1 INTEGER ID dflag Projection EyePosition EyeSeparation FrontClip BackClip Stereo 1 0x0 1 10 5 1 -1 0 property_flags: ID UserColors 1 0xffffff 0x969696 0x3300ff 0x33ffff 0xff00 0xff3333 0xff00ff 0xffff00 1 0x6400ff 0xdcff 0xff64 0xff6400 property_flags: ID SpecialColors FasterMotion LineWidthIdx TextWidthIdx TBActive TBCenterRot 1 0x0 0xbfbf00 0x0 0 0 0 1 0 property_flags: ID TBManipCursor Show3DCursor 1 0 0 property_flags: ID transform 1 -0.1143 0.0170 -0.0255 0.0000 0.0073 0.1108 0.0410 0.0000 0.0298 0.0380 1 -0.1080 0.0000 0.3785 -0.2129 0.2606 1.0000 property_flags: ID PrintOptions 1 0 property_flags: object_class calculation_history property dflag MM noUnit 0 1 HEX property calc_source MM noUnit 0 1 NAME property version MM noUnit 0 10 STRING property date_time MM noUnit 0 25 STRING property calc_energy MM kcal/mole 6 1 FLOAT property calc_gradient MM Kcal/mol/angstrom 6 1 FLOAT property calc_comment MM noUnit 0 183 STRING property calc_server MM noUnit 0 31 STRING property Model ZINDO noUnit 0 32 STRING property dipoleVector ZINDO debye 6 3 FLOAT property dipole ZINDO debye 6 1 FLOAT ID dflag calc_source version date_time calc_energy 1 0x0 MM 3.11 Thu_Oct_29_16:28:58_1998 1777.539470 2 0x0 MM 3.11 Thu_Oct_29_16:30:44_1998 1777.537677 3 0x0 ZINDO 3.11 Thu_Oct_29_16:31:51_1998 -30279.819674 property_flags: ID calc_gradient 1 0.569547 2 0.551599 3 2.554479 property_flags: ID calc_comment 1 ~ 2 ~ 3 CalcType:Optimize_Mult:1_Params:INDO/1_CILev:9_SCFTyp:RHF_SCFCyc:200_Charge: 3 0_SavMap:no_SrchTyp:NR_GeoConv:CG1E-3_SCFRxnF:no_SCFConv:3_ConfMix:VB_ConfMi 3 x:VB_Restart:no_ControlWords:_ property_flags: ID calc_server Model dipoleVector dipole 1 localhost 0 0 0 0 0 2 localhost 0 0 0 0 0 3 cache@localhost INDO/1 -0.056894 8.532077 -0.270341 8.536548 property_flags: 1 01 00 00 00 2 01 00 00 00 object_class mol_orbital property dflag ZINDO noUnit 0 1 HEX property eig_vec ZINDO noUnit 6 54 FLOAT property eig_val ZINDO eV 6 1 FLOAT property mo_occ ZINDO noUnit 6 1 FLOAT ID dflag 1 0x0 2 0x0 3 0x0 4 0x0 5 0x0 6 0x0 7 0x0 8 0x0 9 0x0 10 0x0 11 0x0 12 0x0 13 0x0 14 0x0 15 0x0 16 0x0 17 0x0 18 0x0 19 0x0 20 0x0 21 0x0 22 0x0 23 0x0 24 0x0 25 0x0 26 0x0 27 0x0 28 0x0 29 0x0 30 0x0 31 0x0 32 0x0 33 0x0 34 0x0 35 0x0 36 0x0 37 0x0 38 0x0 39 0x0 40 0x0 41 0x0 42 0x0 43 0x0 44 0x0 45 0x0 46 0x0 47 0x0 48 0x0 49 0x0 50 0x0 51 0x0 52 0x0 53 0x0 54 0x0 property_flags: ID eig_vec 1 0.000024 0.121476 0.058182 -0.028366 -0.002076 0.129798 0.057375 1 0.034420 -0.004372 0.133061 0.027114 -0.009474 -0.060482 0.132822 1 0.033508 -0.005185 0.057735 0.144844 -0.002671 0.055825 -0.044535 1 0.144785 0.001770 0.058584 0.040871 0.129916 -0.057881 0.033739 1 0.002195 0.132581 -0.033245 -0.009432 -0.057216 0.133120 -0.026993 1 -0.006035 0.061015 0.121353 -0.057676 -0.028958 0.003991 0.030289 1 0.030527 0.002600 0.002596 0.004097 0.000022 0.004116 0.030143 1 0.002607 0.005469 0.005480 0.030397 0.002576 2 -0.035007 -0.235776 -0.006491 0.059026 -0.001229 -0.213604 0.009387 2 -0.039006 0.001704 -0.142838 0.061901 0.010063 0.040399 -0.147636 2 0.055656 0.007381 -0.047135 0.001404 0.086813 0.000945 -0.004016 2 -0.001754 0.086733 0.000177 -0.004141 0.213604 0.009130 0.039211 2 -0.000664 0.147856 0.056110 -0.009302 -0.046618 0.142757 0.062156 2 -0.006428 0.040977 0.236537 -0.005612 -0.058919 0.002906 -0.043305 2 -0.044043 -0.023660 -0.024431 -0.042473 0.035222 0.042534 0.044585 2 0.023789 -0.000420 0.000434 0.043331 0.024644 3 -0.000288 -0.001070 -0.004340 -0.002272 -0.093571 -0.003598 -0.005175 3 -0.003134 -0.094747 -0.237971 -0.028646 0.023736 -0.027037 0.235862 3 0.027534 -0.023462 -0.028783 -0.168057 -0.002650 -0.038079 -0.071767 3 0.165285 -0.003141 0.033912 -0.074497 0.001975 -0.004668 -0.002162 3 -0.094932 -0.235136 0.026986 0.023389 -0.030212 0.238577 -0.028183 3 -0.024584 -0.025323 0.003126 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