(C66N6O15H31)2 (P1)_PMDAODA_6_MT (re-do 903)
1.0
14.70100846 0.00000000 0.00000000
0.00000000 14.70100846 0.00000000
0.00000000 0.00000000 14.70100846
C N O H
132 12 30 62
Direct
0.09902900 0.74914070 0.38035429 # 1 oxydiphenylene_pyromellitide_1::C1
0.04253408 0.66556636 0.37990377 # 2 oxydiphenylene_pyromellitide_1::C2
0.09716742 0.59177144 0.35438568 # 3 oxydiphenylene_pyromellitide_1::C3
0.19073205 0.62798676 0.33445884 # 4 oxydiphenylene_pyromellitide_1::C4
0.06218771 0.50386171 0.34533173 # 5 oxydiphenylene_pyromellitide_1::C5
0.96837190 0.49679951 0.35759783 # 6 oxydiphenylene_pyromellitide_1::C6
0.91532974 0.57113904 0.38371134 # 7 oxydiphenylene_pyromellitide_1::C7
0.95003132 0.65774882 0.39757931 # 8 oxydiphenylene_pyromellitide_1::C8
0.81899433 0.54279090 0.38521302 # 9 oxydiphenylene_pyromellitide_1::C9
0.90539899 0.41946763 0.33761068 # 10 oxydiphenylene_pyromellitide_1::C10
0.73357169 0.41133389 0.31596091 # 11 oxydiphenylene_pyromellitide_1::C11
0.73595556 0.32834820 0.26858900 # 12 oxydiphenylene_pyromellitide_1::C12
0.65522313 0.28547821 0.24420378 # 13 oxydiphenylene_pyromellitide_1::C13
0.57137915 0.32390288 0.26777310 # 14 oxydiphenylene_pyromellitide_1::C14
0.56904006 0.40998765 0.30741732 # 15 oxydiphenylene_pyromellitide_1::C15
0.64920261 0.45352529 0.33183814 # 16 oxydiphenylene_pyromellitide_1::C16
0.40836792 0.30848544 0.25053220 # 17 oxydiphenylene_pyromellitide_1::C17
0.38934796 0.38730095 0.20125407 # 18 oxydiphenylene_pyromellitide_1::C18
0.29970197 0.41038607 0.18218532 # 19 oxydiphenylene_pyromellitide_1::C19
0.22850229 0.35486873 0.21337541 # 20 oxydiphenylene_pyromellitide_1::C20
0.24803389 0.28220785 0.27245407 # 21 oxydiphenylene_pyromellitide_1::C21
0.33799064 0.25951918 0.29143023 # 22 oxydiphenylene_pyromellitide_1::C22
0.10318761 0.45129236 0.14416306 # 23 oxydiphenylene_pyromellitide_2::C1
0.00902525 0.43108558 0.11264753 # 24 oxydiphenylene_pyromellitide_2::C2
0.99390125 0.33750561 0.12165149 # 25 oxydiphenylene_pyromellitide_2::C3
0.07337486 0.29677471 0.16910703 # 26 oxydiphenylene_pyromellitide_2::C4
0.91270398 0.29616336 0.09540961 # 27 oxydiphenylene_pyromellitide_2::C5
0.84538210 0.35617562 0.06645494 # 28 oxydiphenylene_pyromellitide_2::C6
0.85788454 0.45050426 0.06414266 # 29 oxydiphenylene_pyromellitide_2::C7
0.94111498 0.49138742 0.08412454 # 30 oxydiphenylene_pyromellitide_2::C8
0.76880179 0.49385510 0.04488622 # 31 oxydiphenylene_pyromellitide_2::C9
0.74954090 0.33613345 0.04222016 # 32 oxydiphenylene_pyromellitide_2::C10
0.61091875 0.43271633 0.01268282 # 33 oxydiphenylene_pyromellitide_2::C11
0.54911241 0.36106171 0.02544209 # 34 oxydiphenylene_pyromellitide_2::C12
0.45919611 0.36880951 0.99604459 # 35 oxydiphenylene_pyromellitide_2::C13
0.42951400 0.44951161 0.95600100 # 36 oxydiphenylene_pyromellitide_2::C14
0.48905814 0.52323519 0.94889284 # 37 oxydiphenylene_pyromellitide_2::C15
0.57927440 0.51504226 0.97598671 # 38 oxydiphenylene_pyromellitide_2::C16
0.28769193 0.39200704 0.89604753 # 39 oxydiphenylene_pyromellitide_2::C17
0.29038288 0.36320087 0.80598034 # 40 oxydiphenylene_pyromellitide_2::C18
0.22585742 0.30270434 0.77239530 # 41 oxydiphenylene_pyromellitide_2::C19
0.15703242 0.26888309 0.83003960 # 42 oxydiphenylene_pyromellitide_2::C20
0.15712772 0.29513726 0.92185259 # 43 oxydiphenylene_pyromellitide_2::C21
0.22269926 0.35543005 0.95417264 # 44 oxydiphenylene_pyromellitide_2::C22
0.07972295 0.18330309 0.70359100 # 45 oxydiphenylene_pyromellitide_3::C1
0.99805218 0.12587633 0.69654768 # 46 oxydiphenylene_pyromellitide_3::C2
0.96224733 0.11020535 0.78310780 # 47 oxydiphenylene_pyromellitide_3::C3
0.01553755 0.16680161 0.84798558 # 48 oxydiphenylene_pyromellitide_3::C4
0.88785350 0.05207702 0.79720503 # 49 oxydiphenylene_pyromellitide_3::C5
0.85324407 0.01129297 0.71797296 # 50 oxydiphenylene_pyromellitide_3::C6
0.88782287 0.03237802 0.63210208 # 51 oxydiphenylene_pyromellitide_3::C7
0.95988055 0.09137853 0.61780636 # 52 oxydiphenylene_pyromellitide_3::C8
0.84044063 0.97867189 0.56221855 # 53 oxydiphenylene_pyromellitide_3::C9
0.77989275 0.94146161 0.70411971 # 54 oxydiphenylene_pyromellitide_3::C10
0.71822303 0.85927829 0.56320260 # 55 oxydiphenylene_pyromellitide_3::C11
0.71128407 0.85946664 0.46739153 # 56 oxydiphenylene_pyromellitide_3::C12
0.65406633 0.79886402 0.42254457 # 57 oxydiphenylene_pyromellitide_3::C13
0.60249068 0.73674420 0.47239218 # 58 oxydiphenylene_pyromellitide_3::C14
0.60975311 0.73501518 0.56692917 # 59 oxydiphenylene_pyromellitide_3::C15
0.66718463 0.79516092 0.61229904 # 60 oxydiphenylene_pyromellitide_3::C16
0.46923870 0.64436108 0.46250709 # 61 oxydiphenylene_pyromellitide_3::C17
0.40514470 0.70395687 0.49889894 # 62 oxydiphenylene_pyromellitide_3::C18
0.32199151 0.67072541 0.52949481 # 63 oxydiphenylene_pyromellitide_3::C19
0.30197300 0.57733860 0.52392172 # 64 oxydiphenylene_pyromellitide_3::C20
0.36753205 0.51784437 0.48864759 # 65 oxydiphenylene_pyromellitide_3::C21
0.45054295 0.55167429 0.45887567 # 66 oxydiphenylene_pyromellitide_3::C22
0.15753854 0.58797905 0.61856288 # 67 oxydiphenylene_pyromellitide_4::C1
0.07891050 0.52599154 0.63441511 # 68 oxydiphenylene_pyromellitide_4::C2
0.09119726 0.44870110 0.58009007 # 69 oxydiphenylene_pyromellitide_4::C3
0.17822170 0.45806554 0.52927430 # 70 oxydiphenylene_pyromellitide_4::C4
0.02991622 0.37654870 0.57897112 # 71 oxydiphenylene_pyromellitide_4::C5
0.95715885 0.38687120 0.63875374 # 72 oxydiphenylene_pyromellitide_4::C6
0.94579784 0.46236217 0.69567094 # 73 oxydiphenylene_pyromellitide_4::C7
0.00585544 0.53598374 0.69437710 # 74 oxydiphenylene_pyromellitide_4::C8
0.86413812 0.44523789 0.75420306 # 75 oxydiphenylene_pyromellitide_4::C9
0.88099602 0.32308544 0.65475586 # 76 oxydiphenylene_pyromellitide_4::C10
0.74557735 0.31884788 0.75813160 # 77 oxydiphenylene_pyromellitide_4::C11
0.73140110 0.22507029 0.74709370 # 78 oxydiphenylene_pyromellitide_4::C12
0.64757920 0.18609886 0.76747798 # 79 oxydiphenylene_pyromellitide_4::C13
0.57682845 0.23998935 0.80014952 # 80 oxydiphenylene_pyromellitide_4::C14
0.59208782 0.33235837 0.81589059 # 81 oxydiphenylene_pyromellitide_4::C15
0.67594253 0.37165971 0.79587337 # 82 oxydiphenylene_pyromellitide_4::C16
0.45970324 0.16126332 0.88583681 # 83 oxydiphenylene_pyromellitide_4::C17
0.51564264 0.13823760 0.95886595 # 84 oxydiphenylene_pyromellitide_4::C18
0.47781815 0.10005663 0.03688362 # 85 oxydiphenylene_pyromellitide_4::C19
0.38401377 0.08274147 0.04305593 # 86 oxydiphenylene_pyromellitide_4::C20
0.32865655 0.10274945 0.96760433 # 87 oxydiphenylene_pyromellitide_4::C21
0.36676639 0.14150787 0.89030499 # 88 oxydiphenylene_pyromellitide_4::C22
0.39547292 0.00389182 0.19512079 # 89 oxydiphenylene_pyromellitide_5::C1
0.33400087 0.99500574 0.27499517 # 90 oxydiphenylene_pyromellitide_5::C2
0.24776055 0.02710783 0.24975335 # 91 oxydiphenylene_pyromellitide_5::C3
0.25237147 0.05654183 0.15285751 # 92 oxydiphenylene_pyromellitide_5::C4
0.17482867 0.02944507 0.31025152 # 93 oxydiphenylene_pyromellitide_5::C5
0.19516252 0.99650437 0.39657152 # 94 oxydiphenylene_pyromellitide_5::C6
0.28051871 0.96370857 0.42209945 # 95 oxydiphenylene_pyromellitide_5::C7
0.35379835 0.96217634 0.36190623 # 96 oxydiphenylene_pyromellitide_5::C8
0.27492572 0.92999529 0.51779092 # 97 oxydiphenylene_pyromellitide_5::C9
0.13315369 0.98572502 0.47489220 # 98 oxydiphenylene_pyromellitide_5::C10
0.14359378 0.90492696 0.62587991 # 99 oxydiphenylene_pyromellitide_5::C11
0.05377018 0.87241398 0.62223954 # 100 oxydiphenylene_pyromellitide_5::C12
0.01523217 0.83117706 0.69792568 # 101 oxydiphenylene_pyromellitide_5::C13
0.06533660 0.81937096 0.77746659 # 102 oxydiphenylene_pyromellitide_5::C14
0.15502421 0.85066340 0.78135838 # 103 oxydiphenylene_pyromellitide_5::C15
0.19365444 0.89505775 0.70649411 # 104 oxydiphenylene_pyromellitide_5::C16
0.97858717 0.81755794 0.91579434 # 105 oxydiphenylene_pyromellitide_5::C17
0.88423854 0.80975023 0.92323103 # 106 oxydiphenylene_pyromellitide_5::C18
0.83729837 0.85295479 0.99377230 # 107 oxydiphenylene_pyromellitide_5::C19
0.88518540 0.90380351 0.05923345 # 108 oxydiphenylene_pyromellitide_5::C20
0.98011305 0.91259488 0.05010291 # 109 oxydiphenylene_pyromellitide_5::C21
0.02582757 0.86938289 0.97953569 # 110 oxydiphenylene_pyromellitide_5::C22
0.88418937 0.00137737 0.20088039 # 111 oxydiphenylene_pyromellitide_6::C1
0.81222522 0.03889241 0.26035312 # 112 oxydiphenylene_pyromellitide_6::C2
0.72923466 0.99828836 0.23814240 # 113 oxydiphenylene_pyromellitide_6::C3
0.74493257 0.93923518 0.15632648 # 114 oxydiphenylene_pyromellitide_6::C4
0.64905333 0.01742832 0.28593263 # 115 oxydiphenylene_pyromellitide_6::C5
0.65772718 0.08347341 0.35407462 # 116 oxydiphenylene_pyromellitide_6::C6
0.74044232 0.12683177 0.37133577 # 117 oxydiphenylene_pyromellitide_6::C7
0.82101377 0.10536932 0.32702606 # 118 oxydiphenylene_pyromellitide_6::C8
0.72541001 0.20220352 0.43559702 # 119 oxydiphenylene_pyromellitide_6::C9
0.58746783 0.12655511 0.41385039 # 120 oxydiphenylene_pyromellitide_6::C10
0.58876546 0.26572476 0.51865475 # 121 oxydiphenylene_pyromellitide_6::C11
0.50045981 0.25257484 0.55286285 # 122 oxydiphenylene_pyromellitide_6::C12
0.45960343 0.31946362 0.60578893 # 123 oxydiphenylene_pyromellitide_6::C13
0.50402690 0.40136131 0.62663291 # 124 oxydiphenylene_pyromellitide_6::C14
0.59178296 0.41463731 0.59272354 # 125 oxydiphenylene_pyromellitide_6::C15
0.63310820 0.34778168 0.53983482 # 126 oxydiphenylene_pyromellitide_6::C16
0.46667815 0.54655929 0.71218677 # 127 oxydiphenylene_pyromellitide_6::C17
0.38517513 0.59334927 0.72859814 # 128 oxydiphenylene_pyromellitide_6::C18
0.38534968 0.67890644 0.76865611 # 129 oxydiphenylene_pyromellitide_6::C19
0.46762804 0.71890690 0.79488300 # 130 oxydiphenylene_pyromellitide_6::C20
0.54849605 0.67165320 0.77993163 # 131 oxydiphenylene_pyromellitide_6::C21
0.54939181 0.58600841 0.73787793 # 132 oxydiphenylene_pyromellitide_6::C22
0.18505949 0.72181847 0.35185102 # 133 oxydiphenylene_pyromellitide_1::N1
0.81528095 0.45422001 0.34609690 # 134 oxydiphenylene_pyromellitide_1::N2
0.13853467 0.36853507 0.18008879 # 135 oxydiphenylene_pyromellitide_2::N1
0.70490045 0.42135683 0.03350665 # 136 oxydiphenylene_pyromellitide_2::N2
0.08748037 0.20982044 0.79601198 # 137 oxydiphenylene_pyromellitide_3::N1
0.77694386 0.92227035 0.60830533 # 138 oxydiphenylene_pyromellitide_3::N2
0.21648033 0.54323981 0.55522969 # 139 oxydiphenylene_pyromellitide_4::N1
0.82698568 0.36042172 0.72550369 # 140 oxydiphenylene_pyromellitide_4::N2
0.34579174 0.04904999 0.12615648 # 141 oxydiphenylene_pyromellitide_5::N1
0.18344301 0.94207570 0.54547033 # 142 oxydiphenylene_pyromellitide_5::N2
0.84016078 0.94579124 0.13464677 # 143 oxydiphenylene_pyromellitide_6::N1
0.63203232 0.19942488 0.46171293 # 144 oxydiphenylene_pyromellitide_6::N2
0.49520442 0.27096870 0.25501556 # 145 oxydiphenylene_pyromellitide_1::O1
0.07497212 0.82584206 0.40146614 # 146 oxydiphenylene_pyromellitide_1::O2
0.25814221 0.58823963 0.30800993 # 147 oxydiphenylene_pyromellitide_1::O3
0.75572110 0.58788403 0.41462878 # 148 oxydiphenylene_pyromellitide_1::O4
0.92677388 0.34214778 0.31622251 # 149 oxydiphenylene_pyromellitide_1::O5
0.34231347 0.46369433 0.92424048 # 150 oxydiphenylene_pyromellitide_2::O1
0.14230559 0.52461300 0.14117299 # 151 oxydiphenylene_pyromellitide_2::O2
0.08059768 0.21919647 0.19713523 # 152 oxydiphenylene_pyromellitide_2::O3
0.75233376 0.57526962 0.04259039 # 153 oxydiphenylene_pyromellitide_2::O4
0.71589706 0.26055728 0.03229792 # 154 oxydiphenylene_pyromellitide_2::O5
0.55011502 0.67456076 0.42485398 # 155 oxydiphenylene_pyromellitide_3::O1
0.13132896 0.20218940 0.64079963 # 156 oxydiphenylene_pyromellitide_3::O2
0.00078129 0.17740923 0.92902664 # 157 oxydiphenylene_pyromellitide_3::O3
0.85470865 0.98193976 0.48043471 # 158 oxydiphenylene_pyromellitide_3::O4
0.73177300 0.90686235 0.76240003 # 159 oxydiphenylene_pyromellitide_3::O5
0.48907885 0.20510523 0.80825151 # 160 oxydiphenylene_pyromellitide_4::O1
0.17003802 0.66229854 0.65361552 # 161 oxydiphenylene_pyromellitide_4::O2
0.21031693 0.40329582 0.47553445 # 162 oxydiphenylene_pyromellitide_4::O3
0.83554269 0.49307377 0.81589434 # 163 oxydiphenylene_pyromellitide_4::O4
0.86708266 0.25201290 0.61454257 # 164 oxydiphenylene_pyromellitide_4::O5
0.02536584 0.76973566 0.84779522 # 165 oxydiphenylene_pyromellitide_5::O1
0.47360783 0.97547122 0.18875639 # 166 oxydiphenylene_pyromellitide_5::O2
0.18946711 0.08028685 0.10428484 # 167 oxydiphenylene_pyromellitide_5::O3
0.33559917 0.89594378 0.56344893 # 168 oxydiphenylene_pyromellitide_5::O4
0.05381005 0.00913695 0.47838318 # 169 oxydiphenylene_pyromellitide_5::O5
0.45220302 0.45939041 0.67867530 # 170 oxydiphenylene_pyromellitide_6::O1
0.96577459 0.01538182 0.20956248 # 171 oxydiphenylene_pyromellitide_6::O2
0.68816357 0.89519389 0.11450545 # 172 oxydiphenylene_pyromellitide_6::O3
0.78222086 0.25824765 0.45804990 # 173 oxydiphenylene_pyromellitide_6::O4
0.50743416 0.10543569 0.42103362 # 174 oxydiphenylene_pyromellitide_6::O5
0.10516331 0.44595754 0.32883858 # 175 oxydiphenylene_pyromellitide_1::H1
0.90750338 0.71536774 0.41679947 # 176 oxydiphenylene_pyromellitide_1::H2
0.80065478 0.29593755 0.25413849 # 177 oxydiphenylene_pyromellitide_1::H3
0.65725951 0.22024495 0.20923326 # 178 oxydiphenylene_pyromellitide_1::H4
0.50408786 0.44245625 0.32158814 # 179 oxydiphenylene_pyromellitide_1::H5
0.64566417 0.51983442 0.36446465 # 180 oxydiphenylene_pyromellitide_1::H6
0.44418574 0.42887533 0.17408535 # 181 oxydiphenylene_pyromellitide_1::H7
0.28599498 0.47129177 0.14252611 # 182 oxydiphenylene_pyromellitide_1::H8
0.19334332 0.24183236 0.30140006 # 183 oxydiphenylene_pyromellitide_1::H9
0.35385667 0.20241215 0.33618415 # 184 oxydiphenylene_pyromellitide_1::H10
0.90236745 0.22296459 0.10037653 # 185 oxydiphenylene_pyromellitide_2::H1
0.95211071 0.56479288 0.08008497 # 186 oxydiphenylene_pyromellitide_2::H2
0.57140061 0.29788634 0.05623897 # 187 oxydiphenylene_pyromellitide_2::H3
0.41295773 0.31154269 0.00465002 # 188 oxydiphenylene_pyromellitide_2::H4
0.46487901 0.58704773 0.91988460 # 189 oxydiphenylene_pyromellitide_2::H5
0.62563452 0.57226167 0.96795319 # 190 oxydiphenylene_pyromellitide_2::H6
0.34294377 0.39000108 0.76117562 # 191 oxydiphenylene_pyromellitide_2::H7
0.22795356 0.28264515 0.70128023 # 192 oxydiphenylene_pyromellitide_2::H8
0.10483026 0.26949735 0.96716104 # 193 oxydiphenylene_pyromellitide_2::H9
0.22328684 0.37558942 0.02528078 # 194 oxydiphenylene_pyromellitide_2::H10
0.85927381 0.03858227 0.86448830 # 195 oxydiphenylene_pyromellitide_3::H1
0.98541291 0.10720226 0.55048173 # 196 oxydiphenylene_pyromellitide_3::H2
0.75184798 0.90617643 0.42723958 # 197 oxydiphenylene_pyromellitide_3::H3
0.65001897 0.79966511 0.34830246 # 198 oxydiphenylene_pyromellitide_3::H4
0.57065749 0.68563684 0.60575303 # 199 oxydiphenylene_pyromellitide_3::H5
0.67142277 0.79269997 0.68602181 # 200 oxydiphenylene_pyromellitide_3::H6
0.41967205 0.77630763 0.50556394 # 201 oxydiphenylene_pyromellitide_3::H7
0.27399128 0.71768539 0.56040300 # 202 oxydiphenylene_pyromellitide_3::H8
0.35453464 0.44526972 0.48436154 # 203 oxydiphenylene_pyromellitide_3::H9
0.50199618 0.50493700 0.43443467 # 204 oxydiphenylene_pyromellitide_3::H10
0.03959085 0.31639688 0.53658606 # 205 oxydiphenylene_pyromellitide_4::H1
0.99722008 0.59664302 0.73632321 # 206 oxydiphenylene_pyromellitide_4::H2
0.78438688 0.18248187 0.71903391 # 207 oxydiphenylene_pyromellitide_4::H3
0.63653674 0.11351669 0.75676373 # 208 oxydiphenylene_pyromellitide_4::H4
0.53729459 0.37445011 0.84216007 # 209 oxydiphenylene_pyromellitide_4::H5
0.68627034 0.44401875 0.80729376 # 210 oxydiphenylene_pyromellitide_4::H6
0.58826677 0.15229279 0.95733302 # 211 oxydiphenylene_pyromellitide_4::H7
0.52193613 0.08366140 0.09376297 # 212 oxydiphenylene_pyromellitide_4::H8
0.25569669 0.09121985 0.97064341 # 213 oxydiphenylene_pyromellitide_4::H9
0.32313985 0.16009281 0.83363462 # 214 oxydiphenylene_pyromellitide_4::H10
0.10739130 0.05407098 0.29166558 # 215 oxydiphenylene_pyromellitide_5::H1
0.42142141 0.93911644 0.38233020 # 216 oxydiphenylene_pyromellitide_5::H2
0.01500291 0.87878170 0.55962979 # 217 oxydiphenylene_pyromellitide_5::H3
0.94578109 0.80579740 0.69507425 # 218 oxydiphenylene_pyromellitide_5::H4
0.19627220 0.83881283 0.84201307 # 219 oxydiphenylene_pyromellitide_5::H5
0.26348171 0.91994939 0.71016041 # 220 oxydiphenylene_pyromellitide_5::H6
0.84629784 0.76872777 0.87449255 # 221 oxydiphenylene_pyromellitide_5::H7
0.76362578 0.84720405 0.99742574 # 222 oxydiphenylene_pyromellitide_5::H8
0.01852168 0.95336222 0.09807386 # 223 oxydiphenylene_pyromellitide_5::H9
0.09962529 0.87458307 0.97546241 # 224 oxydiphenylene_pyromellitide_5::H10
0.58439810 0.98574074 0.26776068 # 225 oxydiphenylene_pyromellitide_6::H1
0.88537088 0.13902801 0.34202652 # 226 oxydiphenylene_pyromellitide_6::H2
0.46223035 0.19165429 0.53605215 # 227 oxydiphenylene_pyromellitide_6::H3
0.39115772 0.30769286 0.63190884 # 228 oxydiphenylene_pyromellitide_6::H4
0.62939970 0.47665029 0.60601575 # 229 oxydiphenylene_pyromellitide_6::H5
0.70211499 0.35826645 0.51593343 # 230 oxydiphenylene_pyromellitide_6::H6
0.32140082 0.56082924 0.71027712 # 231 oxydiphenylene_pyromellitide_6::H7
0.32041556 0.71388420 0.77855325 # 232 oxydiphenylene_pyromellitide_6::H8
0.61282241 0.70108565 0.80232184 # 233 oxydiphenylene_pyromellitide_6::H9
0.61401243 0.55102516 0.72916407 # 234 oxydiphenylene_pyromellitide_6::H10
0.23891551 0.76470579 0.34488765 # 235 H_head
0.46819484 0.78562376 0.82740212 # 236 H_tail