(C66N6O15H31)2 (P1)_PMDAODA_6_MT
1.0
14.70100846 0.00000000 0.00000000
0.00000000 14.70100846 0.00000000
0.00000000 0.00000000 14.62750342
C N O H
132 12 30 62
Direct
0.15332053 0.78194321 0.21233667 # 1 C1
0.07330461 0.73220991 0.25108034 # 2 C2
0.10597343 0.66086084 0.30539986 # 3 C3
0.20768839 0.66281034 0.30287821 # 4 C4
0.04830030 0.59773745 0.34636978 # 5 C5
0.95619214 0.60961187 0.32758917 # 6 C6
0.92335483 0.68043203 0.27286841 # 7 C7
0.98093005 0.74498813 0.23406941 # 8 C8
0.82376396 0.66635308 0.25874795 # 9 C9
0.87847969 0.54984614 0.35245359 # 10 C10
0.71860770 0.53505394 0.29468458 # 11 C11
0.72295637 0.44031437 0.28357163 # 12 C12
0.64378802 0.39007241 0.27428475 # 13 C13
0.55866297 0.43278433 0.27759266 # 14 C14
0.55371669 0.52762239 0.28475671 # 15 C15
0.63379483 0.57835341 0.29355237 # 16 C16
0.39783851 0.39094389 0.25712392 # 17 C17
0.37289187 0.45012848 0.18735241 # 18 C18
0.28222749 0.45480492 0.16038948 # 19 C19
0.21598563 0.40150991 0.20373848 # 20 C20
0.24147270 0.34374401 0.27536826 # 21 C21
0.33215430 0.33809782 0.30123499 # 22 C22
0.08111375 0.48133884 0.13387105 # 23 C23
0.98680383 0.45314470 0.11027325 # 24 C24
0.97541104 0.36224921 0.13607748 # 25 C25
0.06166938 0.32986328 0.17813215 # 26 C26
0.89366020 0.31579484 0.12393445 # 27 C27
0.82369999 0.36745358 0.08618227 # 28 C28
0.83487015 0.45821761 0.06091493 # 29 C29
0.91706864 0.50429785 0.07120041 # 30 C30
0.74644614 0.49245552 0.02580161 # 31 C31
0.72747050 0.34137628 0.06966115 # 32 C32
0.58769308 0.42552290 0.01394369 # 33 C33
0.53412231 0.34652113 0.00854104 # 34 C34
0.44321244 0.35077704 0.98184786 # 35 C35
0.40433744 0.43427873 0.95905115 # 36 C36
0.45535561 0.51382151 0.96924140 # 37 C37
0.54585800 0.50998800 0.99679570 # 38 C38
0.26491388 0.37482186 0.89535731 # 39 C39
0.29853655 0.31799221 0.82691157 # 40 C40
0.24303221 0.25062431 0.78979651 # 41 C41
0.15321662 0.24046935 0.82002541 # 42 C42
0.11908198 0.29926110 0.88688255 # 43 C43
0.17483242 0.36596648 0.92422801 # 44 C44
0.08872127 0.15125858 0.68851514 # 45 C45
0.01343991 0.08405410 0.68006562 # 46 C46
0.98184533 0.06266308 0.76744266 # 47 C47
0.03204125 0.12028774 0.83402048 # 48 C48
0.91059131 0.00179220 0.78219896 # 49 C49
0.87152065 0.96634421 0.70322595 # 50 C50
0.90060280 0.99064680 0.61612210 # 51 C51
0.97300870 0.04999293 0.60150491 # 52 C52
0.83958580 0.94645216 0.54842963 # 53 C53
0.79093963 0.90565000 0.69414314 # 54 C54
0.70207523 0.84335905 0.56072820 # 55 C55
0.66771833 0.86397157 0.47390864 # 56 C56
0.59741193 0.81238303 0.43681002 # 57 C57
0.55932156 0.74071429 0.48647265 # 58 C58
0.59194914 0.72089749 0.57339340 # 59 C59
0.66355665 0.77110068 0.60973342 # 60 C60
0.42549069 0.64499712 0.49199374 # 61 C61
0.36368013 0.69467575 0.54415273 # 62 C62
0.28672702 0.65188462 0.57921538 # 63 C63
0.27288256 0.55881578 0.56386497 # 64 C64
0.33781787 0.50850272 0.51591287 # 65 C65
0.41391042 0.55170096 0.47977860 # 66 C66
0.14801147 0.53162560 0.67946324 # 67 C67
0.06544566 0.47222548 0.68033455 # 68 C68
0.06540695 0.42106493 0.60004123 # 69 C69
0.14377294 0.44967910 0.54333457 # 70 C70
0.00126079 0.35413030 0.58146181 # 71 C71
0.93631512 0.34224693 0.64914409 # 72 C72
0.93296059 0.39576968 0.72792921 # 73 C73
0.99805622 0.46243866 0.74655549 # 74 C74
0.85288565 0.36559545 0.78272603 # 75 C75
0.86339048 0.27299320 0.65423726 # 76 C76
0.73301147 0.24358844 0.75903774 # 77 C77
0.72719237 0.15035986 0.74022073 # 78 C78
0.64698541 0.10283849 0.75682487 # 79 C79
0.57233147 0.14901293 0.79199112 # 80 C80
0.57807030 0.24134726 0.81285710 # 81 C81
0.65836498 0.28881084 0.79692434 # 82 C82
0.45967180 0.08526648 0.88885205 # 83 C83
0.51280823 0.09898189 0.96638909 # 84 C84
0.47629686 0.08100957 0.05181061 # 85 C85
0.38778594 0.04722457 0.06025076 # 86 C86
0.33543297 0.03163061 0.98208082 # 87 C87
0.37119895 0.05128283 0.89669315 # 88 C88
0.40386498 0.99397999 0.22065890 # 89 C89
0.34237672 0.98954888 0.30033767 # 90 C90
0.25410103 0.01005817 0.27105286 # 91 C91
0.25934450 0.04071879 0.17426007 # 92 C92
0.17817782 0.99664952 0.32625889 # 93 C93
0.19846419 0.96414386 0.41307786 # 94 C94
0.28747928 0.95285998 0.44505759 # 95 C95
0.36299056 0.96385637 0.38916507 # 96 C96
0.28344241 0.92227554 0.54111120 # 97 C97
0.13564721 0.92933694 0.48376728 # 98 C98
0.15624591 0.86638112 0.64234647 # 99 C99
0.07712921 0.81279008 0.64004464 # 100 C100
0.04176158 0.77733931 0.72029946 # 101 C101
0.08538611 0.79262012 0.80320338 # 102 C102
0.16723904 0.84091327 0.80512181 # 103 C103
0.20180753 0.87912561 0.72533201 # 104 C104
0.00035048 0.81095186 0.94080370 # 105 C105
0.91801953 0.77850282 0.97556813 # 106 C106
0.87003430 0.82910167 0.03983068 # 107 C107
0.90453329 0.91319455 0.06903672 # 108 C108
0.98602507 0.94633664 0.03265365 # 109 C109
0.03384655 0.89513592 0.96901685 # 110 C110
0.90354398 0.01900699 0.20285191 # 111 C111
0.83107461 0.06722248 0.25401104 # 112 C112
0.74684912 0.03330190 0.22563037 # 113 C113
0.76257096 0.97028431 0.14759699 # 114 C114
0.66531056 0.05941879 0.26623990 # 115 C115
0.67383506 0.12571420 0.33354792 # 116 C116
0.75759281 0.16461952 0.35667244 # 117 C117
0.83954151 0.13514551 0.31944426 # 118 C118
0.74100757 0.23914319 0.42252400 # 119 C119
0.60196214 0.16873942 0.39045969 # 120 C120
0.60284639 0.29399830 0.50756072 # 121 C121
0.52829776 0.26209472 0.55804769 # 122 C122
0.48697891 0.31822896 0.62167251 # 123 C123
0.51994916 0.40623485 0.63759449 # 124 C124
0.59291215 0.43902142 0.58601377 # 125 C125
0.63384176 0.38324030 0.52119301 # 126 C126
0.50462524 0.53693780 0.73841897 # 127 C127
0.43820612 0.60287822 0.75490868 # 128 C128
0.46291645 0.68485580 0.79592941 # 129 C129
0.55300582 0.70084134 0.82153619 # 130 C130
0.61847606 0.63363715 0.80619148 # 131 C131
0.59494463 0.55159180 0.76451741 # 132 C132
0.22952353 0.73781303 0.24834906 # 133 N1
0.80169955 0.58409067 0.30459418 # 134 N2
0.12366822 0.40469153 0.17396005 # 135 N3
0.68233059 0.42008369 0.03614031 # 136 N4
0.09566179 0.17204696 0.78242774 # 137 N5
0.77482556 0.89510033 0.59932042 # 138 N6
0.19200566 0.51512980 0.59495224 # 139 N7
0.81331561 0.29207879 0.73468696 # 140 N8
0.35214146 0.02863757 0.14815221 # 141 N9
0.19014516 0.90575371 0.56051647 # 142 N10
0.85860093 0.96487756 0.13695233 # 143 N11
0.64650857 0.23589251 0.44394478 # 144 N12
0.48669356 0.37307888 0.28208857 # 145 O1
0.15528188 0.84639380 0.15996253 # 146 O2
0.26235050 0.61133446 0.33810295 # 147 O3
0.77061711 0.71287663 0.21511112 # 148 O4
0.87880085 0.48405266 0.40320766 # 149 O5
0.31459879 0.44543769 0.93281947 # 150 O6
0.11551643 0.55624069 0.12167039 # 151 O7
0.07683701 0.25523139 0.21084088 # 152 O8
0.73180002 0.56795118 0.99446884 # 153 O9
0.69403372 0.26639288 0.08396590 # 154 O10
0.49423491 0.68834468 0.44321207 # 155 O11
0.13545883 0.18390523 0.62788905 # 156 O12
0.02076154 0.12616372 0.91604418 # 157 O13
0.84233143 0.95334853 0.46572943 # 158 O14
0.74579021 0.87308583 0.75598182 # 159 O15
0.49067358 0.10221283 0.80170497 # 160 O16
0.17479763 0.58317584 0.73878920 # 161 O17
0.16240723 0.42416728 0.46641566 # 162 O18
0.82572387 0.39655819 0.85511319 # 163 O19
0.84978035 0.20942112 0.60274208 # 164 O20
0.04642451 0.75422720 0.88022692 # 165 O21
0.48280079 0.96730137 0.21682051 # 166 O22
0.19946461 0.07104968 0.12594429 # 167 O23
0.34694970 0.91194466 0.59392799 # 168 O24
0.05350237 0.91883831 0.47716706 # 169 O25
0.47343723 0.45494726 0.70266324 # 170 O26
0.98556255 0.02270130 0.21576765 # 171 O27
0.70618512 0.93276945 0.09977846 # 172 O28
0.79564528 0.29485912 0.45059630 # 173 O29
0.52061344 0.15125624 0.39178783 # 174 O30
0.07407152 0.54050362 0.38600958 # 175 H1
0.95629686 0.79930959 0.19013232 # 176 H2
0.78842790 0.40580119 0.28373645 # 177 H3
0.64617435 0.31666337 0.26448309 # 178 H4
0.48826790 0.56232666 0.28674483 # 179 H5
0.62957975 0.65190053 0.30082745 # 180 H6
0.42404121 0.48984643 0.15133679 # 181 H7
0.26361983 0.49923880 0.10430679 # 182 H8
0.19079173 0.30312378 0.31058493 # 183 H9
0.35334829 0.29201611 0.35540803 # 184 H10
0.88474216 0.24489668 0.14380835 # 185 H11
0.92609187 0.57524059 0.05132623 # 186 H12
0.56337111 0.28085864 0.02521758 # 187 H13
0.40344250 0.28818601 0.97921634 # 188 H14
0.42390612 0.57926235 0.95426372 # 189 H15
0.58436875 0.57274260 0.00263005 # 190 H16
0.36783727 0.32713502 0.80228945 # 191 H17
0.26940844 0.20636995 0.73657365 # 192 H18
0.04925936 0.29221294 0.91055837 # 193 H19
0.14894703 0.41269571 0.97554374 # 194 H20
0.88563227 0.98489675 0.85000225 # 195 H21
0.99448793 0.06986420 0.53351036 # 196 H22
0.69664500 0.91944530 0.43455833 # 197 H23
0.57194547 0.82771750 0.36872823 # 198 H24
0.56187901 0.66602609 0.61312597 # 199 H25
0.68828629 0.75432046 0.67728280 # 200 H26
0.37546579 0.76674425 0.55663691 # 201 H27
0.23755652 0.69087386 0.61862211 # 202 H28
0.32839739 0.43590283 0.50493777 # 203 H29
0.46393177 0.51324580 0.44102280 # 204 H30
0.00226433 0.31363006 0.51939942 # 205 H31
0.99717867 0.50327362 0.80851509 # 206 H32
0.78530099 0.11525745 0.71159337 # 207 H33
0.64180715 0.03014085 0.74297093 # 208 H34
0.51950677 0.27656893 0.84135594 # 209 H35
0.66231151 0.36089980 0.81314095 # 210 H36
0.58251368 0.12349971 0.96089138 # 211 H37
0.51786199 0.09275715 0.11187391 # 212 H38
0.26634701 0.00575487 0.98842984 # 213 H39
0.33105711 0.04059438 0.83520058 # 214 H40
0.10893944 0.00779315 0.30172503 # 215 H41
0.43243361 0.95160502 0.41223882 # 216 H42
0.04247826 0.80053425 0.57586511 # 217 H43
0.97953404 0.73690217 0.71949136 # 218 H44
0.20458874 0.84851192 0.86874890 # 219 H45
0.26524466 0.91714986 0.72721073 # 220 H46
0.89103048 0.71366623 0.95156964 # 221 H47
0.80642930 0.80305604 0.06734276 # 222 H48
0.01380196 0.01130049 0.05454329 # 223 H49
0.09770141 0.92170248 0.94272465 # 224 H50
0.60014322 0.02958632 0.24691466 # 225 H51
0.90524531 0.16338407 0.33925542 # 226 H52
0.50284643 0.19337406 0.54775708 # 227 H53
0.42889834 0.29372661 0.66066505 # 228 H54
0.61764334 0.50828711 0.59477686 # 229 H55
0.69043591 0.40943014 0.48141685 # 230 H56
0.36780396 0.58933691 0.73589503 # 231 H57
0.41092769 0.73654432 0.80766914 # 232 H58
0.68851547 0.64436281 0.82830853 # 233 H59
0.64620698 0.49919460 0.75386691 # 234 H60
0.29454444 0.75379011 0.23071702 # 235 H61
0.57249944 0.76508001 0.85319006 # 236 H62