SCSD model generated from precomputed using D2h symmetry, available as naphthalenediimide

Table 1; Model atom positions

xyzat
0.7087-0.0-0.0C
-1.3992-1.23780.0C
-2.88411.23880.0C
1.3992-1.2378-0.0C
-2.8841-1.23880.0C
-0.7069-2.43120.0C
0.7069-2.4312-0.0C
-0.70870.00.0C
1.39921.2378-0.0C
2.8841-1.2388-0.0C
-1.39921.23780.0C
2.88411.2388-0.0C
0.70692.4312-0.0C
-0.70692.43120.0C
-3.50070.00.0N
3.5007-0.0-0.0N
-3.551-2.25970.0O
-3.5512.25970.0O
3.5512.2597-0.0O
3.551-2.2597-0.0O

Figure 2; Model atom positions and symmetry operations



ADEPIK, AFOXEB, AFOXIF, AFOXOL, AHAPUV, AHUYAG, AJAVOY, AJEMIN, AMAXOD, ANAGON, ANOMOG, ANOMUM, ANONAT, AWUYIB, BALVIU, BALVOA, BALVUG, BALWAN, BETJUH, BINVEC, BIXCOC, BIYCOE, BIYRIM, BIYRIM01, BIYROS, BIYRUY, BIYSAF, BIYSEJ, BIYSIN, BIYSIN01, BOQGIX, BOQLUR, BOSKAW, BOSKEA, BOTCET, BOTCIX, BUGRON, BUGRUT, BUGSAA, BUHJUL, BUKQEG, BUSRUE, BUTJEI, BUTJIM, BUTJUY, BUTKAF, BUYHUZ, BUYHUZ01, BUYJAH, BUYJAH01, BUYJAH02, BUYJAH03, BUYJEL, BUYJIP, CANPEP, CAVMET, CECHEA, CIGTOE, CIGTUK, CIGVAS, CIGVEW, CIGVIA, CIGVOG, CIGVUM, CIGWAT, CIGWEX, CIGWIB, CIJMUG, CIJMUG01, CIJNAN, CIJNAN01, CIKSIZ, CITJUN, COGWEB, COQCUI, COQTAF, COQTEJ, COSQEJ, COVYUJ, COVZAQ, COVZEU, COZSES, CUHZAJ, CUHZOX, DADWOX, DAHLIK, DAHLOQ, DAHLUW, DAHMUX, DECPAF, DECPEJ, DECPIN, DECPOT, DECPUZ, DECQAG, DEYHIB, DIBVAM, DIBVIU, DIBVOA, DIMQEX, DIPBIQ, DITKIB, DITKOH, DITMEB, DITMIF, DITMOL, DITMUR, DITNAY, DIYLEE, DIYLII, DIYLOO, DIYLUU, DIYMAB, DIYMEF, DOHNOF, DOQKIE, DORXOZ, DORXUF, DORYAM, DORYOB, DORYUH, DORZAO, DORZES, DORZIW, DORZOC, DORZUI, DOSBAR, DOWGON, DUFDUG, EBARUU, EBASAB, EBASEF, ECAGAT, ECAXIS, ECAXOY, EDOVAX, EDOVEB, EDOVIF, EHILOY, EMUMIJ, ETIMID, EWIHID, EWOBOI, EYADUD, EYOLEL, EYOLIP, EYOLOV, EYOLUB, EZELEC, FESYAG, FETZIQ, FEXPIJ, FIVREJ, FIVRIN, FIVROT, FIVRUZ, FOBMAN, FOJFOC, FOMKUQ, FOMLAX, FOMWOV, FOPZUH, FORGEA, FORKOO, FORKUU, FUBBUC, FUBCAJ, FUBCEN, FUBCIR, FUMROU, FUMROU01, FUNTAK, FUNTIS, GAKFIK, GAMFAE, GAMFEI, GAMKUD, GATXAB, GATXAB01, GATXAB02, GEDZUL, GEHCEE, GEHDEF, GEHDIJ, GEHDUV, GEHWEX, GERZEL, GERZIP, GERZOV, GERZUB, GESBAK, GESSUV, GESTAC, GEXNIJ, GIHVID, GITFOH, GIVFUP, GOFLET, GOPQEJ, GOPQIN, GOPQOT, GOPZUI, GOXFOR, GUBTEE, GUBTII, GUBTOO, GUMJAC, GUMJEG, GUMJIK, GUMJOQ, GUMJUW, GUMNUY, GUNNOT, GUNPEL, GUNPIP, GUWDIL, HACDAS, HACDEW, HACFAU, HACFAU01, HACFAU02, HACFEY, HACFIC, HAMLIT, HEXPAE, HEXPEI, HEXPIM, HEXPOS, HEZJOO, HIBSAO, HIBSES, HIFJIR, HIRKIE, HIRKUQ, HIRLAX, HIRLEB, HIWTAL, HOFFEO, HOGROM, HORLAE, HORLEI, HORLIM, HORLOS, HORNUA, HOWVIB, HOWVIB01, HOWVUN, HUDFUI, HUNREO, HUQJOV, HUQJUB, HUVMIW, HUVMOC, ICUZOX, IFUTAH, IFUTAH01, IFUTUB, IFUTUB01, IFUZIV, IFUZUH, IGIFOW, IGOJEV, IGOJIZ, IGOYEL, IGOYIP, IGOYOV, IGOYUB, IGOZAI, IGOZEM, IGOZIQ, IGOZOW, IGOZUC, IGUQOS, IHAMEL, IHAMIP, IHAMOV, ISAGOA, ISELIB, IVUNUI, IXUBIO, IXUBOU, IXUPIC, IXUPOI, IXUPUO, IXUQAV, IXUQEZ, IYOBII, IYOBOO, JAFDUS, JAPHEQ, JAYBOD, JITZIW, JOVNUF, JOXLUG, JOXMAN, JOZTEA, JUBBIU, JUBBOA, KAHPUH, KEBLOU, KEBLUA, KEBMUB, KEKJEQ, KEKJIU, KEKJIU01, KEKJIU02, KEVKAA, KEVKEE, KEVKII, KEVKOO, KIKCOY, KIKTIK, KOSQOB, KOXNET, KUDVIR, KUDVOX, KUJSEQ, KUKBUQ, KUKCAX, KUKQEP, KUQYEC, KUQYIG, KUQYOM, LACRAL, LAJLUE, LARMUP, LARPAY, LASSAB, LASSEF, LASSIJ, LEMWIM, LEMWOS, LEPREG, LEPRIK, LEQYEO, LESLON, LEVWIV, LIKZAJ, LIKZEN, LIPSEJ, LOFXEL, LOJKED, LOMXUH, LUQDIL, LUXZOV, LUXZUB, MAPDIT, MAPDOZ, MAPDUF, MAPKOF, MATVAF, MATVEJ, MEHREZ, MEHRID, MEHROJ, MEHRUP, MEHSAW, MELMOI, MENVUZ, MESGOH, MEZJUY, MEZKAF, MIMGUN, MIMLOM, MIQMEH, MIQMIL, MIXGIL, MODDOA, MODDOA01, MODDOA02, MODDUG, MODDUG01, MODFAO, MODFAO01, MODFAO02, MODFAO03, MOJGOK, MOKBAR, MOKBAR01, MOKBAR02, MORHOT, MORHUZ, MORJAH, MUCMUU, MUNNUF, MUNPER, MURYOO, MURYOO01, MURYOO02, MUVJUJ, NANTII, NAXZUK, NAYBAT, NAYBEX, NAYBIB, NAYBOH, NAYBUN, NAYCAU, NEVVOA, NEVVUG, NIGWEF, NIGWIJ, NIMFAS, NIMFEW, NIMFIA, NIMFOG, NIPHAY, NOMYEV, NOWKIW, NUBWOY, NUBWUE, NUBXAL, NUBXEP, NUBXIT, NUDHOJ, NUDHUP, NUGRIT, NUNFIM, NUXBUF, NUXCAM, NUXHOF, NUXHUL, NUXJAT, NUXJEX, OBAJEJ, OBAJIN, OGELUI, OGELUI01, OJIWAG, OJIWEK, OJIWIO, OKIGIZ, OPUQUN, OWEXUK, OWEYIZ, OWEZAS, OYAGOM, PAQTEI, PASROT, PASRUZ, PASSAG, PAYVUI, PECCIM, PEXYEY, PEXYIC, PEXYOI, PEXYUO, PINROV, PINRUB, PIPRUE, PIPSAL, PIPSEP, PIPSIT, PIYWUS, PIYXAZ, POBPEB, POHHUS, PONVEW, PONVIA, PUBPAE, PUNDOU, PUNPAR, PUNWUS, PUNXAZ, PUNXED, PUNXIH, PUNXON, PUNXUT, PUNYAA, PUQPID, PUQPOJ, PUQPUP, QALNID, QALNOJ, QEFBUY, QEFBUY01, QEFBUY02, QEFCAF, QEFCEJ, QEFCIN, QEFCOT, QEHMIC, QEHMOI, QEHMUO, QIFQAA, QIFQEE, QIQMEL, QIQMIP, QIQMOV, QODTAH, QOFFUP, QOKWEU, QOMTET, QOVHER, QUFYUN, QUJDOP, QUJDOP01, QUJFAD, QUJFEH, QUJFIL, QUJFOR, QUKFUY, QUKGAF, QUPHIU, QUPHOA, QUPHUG, QUPJAO, QUPYEG, RAGJIT, RAMDUE, RAMFAM, RAXCIE, RAXCOK, REHYUZ, REJBOA, REMDUL, REMDUL01, RERVIW, RERVOC, RETLAF, RETLEJ, RETLIN, RETLOT, RETLOT01, RETLUZ, RETMAG, RETMEK, REWGAE, RIBBOU, RIDWAE, RIKXIV, RILJUU, RIWMES, RIWMIW, RIWMOC, RIWMUI, RIWNAP, RIWNET, RIWNIX, RIWNOD, RIXDEH, RODTIP, RODTOV, ROLLEM, ROLLIQ, ROLLOW, ROQKUF, ROVZIO, RUDYEX, RULWOM, RULWUS, RULXAZ, RULXED, RULXIH, RULXON, RULXUT, RULXUT01, RUPXEH, RUYTIP, SEKCUJ, SEKDAQ, SIDPUS, SIKDAT, SIKDEX, SIKDIB, SIKDOH, SISDUW, SISNUG, SISPAO, SISPES, SISPIW, SISPOC, SISPUI, SISQAP, SISQET, SIVDAE, SIZRAV, SIZREZ, SUBGAA, SUJZIG, SUWHAV, TABLOA, TADMAO, TAGRAX, TASPOV, TIBCEO, TIBCIS, TIBCOY, TIBCUE, TIBDAL, TIFYEO, TIHMAB, TIHROU, TIHRUA, TIHTUC, TIRWUP, TIRXAW, TIYHER, TIYHIV, TIZGIV, TOCGAV, TOTKOF, TOTKUL, TOTLAS, TUGBUV, TUGHOV, TUGHUB, TUGJAJ, TUGZAX, TUGZEB, TUGZIF, TUKVON, TULDIO, TUXZAP, UDIQIK, UDISUY, UFESUW, UFESUW01, UFESUW02, UFOCOK, UFOCUQ, UFODAX, UJAFOC, ULEKUT, UMAMIG, UNALOL, UNANAZ, UNANED, UNANED01, UNANIH, UNEHUS, UNEJAA, UROYEH, URURIK, UTUMED, VACNAR, VACNEV, VACNIZ, VACNOF, VACNUL, VACPAT, VACPEX, VACPIB, VEKPIL, VETLIS, VEZXOP, VIWHOB, VIWJUJ, VIXWIJ, VIZRON, VOMGUC, VORHUH, VULKUJ, VULLAQ, VULLEU, VULLIY, VULLOE, VUNPOL, WAHBUD, WARDEB, WARDIF, WARDOL, WARDUR, WARFAZ, WARFED, WARFIH, WARFON, WARFUT, WATROZ, WATYAR, WELQIQ, WELQOW, WERJEL, WEWDUZ, WEWFAH, WEYLUK, WEYNAR, WIFLAA, WIHPEL, WILKUY, WILLAF, WILLEJ, WILLIN, WILLOT, WILLUZ, WOBFUQ, WOBGAX, WOBGEB, WOJRAR, WOMFOU, WOMGEL, WOYNIK, WOYNOQ, WOYNUW, WUFMAL, XALWAK, XALWEO, XEBHOD, XEKROX, XEMWAQ, XENKIM, XENKIM01, XENKOS, XENLAG, XESHEJ, XESHIN, XESKEO, XESKOV, XESKUB, XESLAI, XEYMEU, XILSUI, XILTAP, XILVEV, XILVIZ, XIMDEE, XISGOW, XIVQUQ, XIYBUE, XIYYAI, XIYYEM, XIYYIQ, XIYYOW, XIYZIR, XIZGEV, XIZGIZ, XIZGOF, XOFHAE, XOQLUK, XOXMED, XOYBAR, XOYQUZ, XUDLOA, XUDLUG, XUZGAB, XUZGEF, YANHUT, YAPYUL, YAWYED, YAWYED01, YAWYED02, YEQLUE, YIBJOK, YIBKUS, YIBKUS01, YIBLED, YIBLED01, YIMLUE, YIMMAL, YIMMEP, YIWFAO, YIWFES, YIXRIJ, YOGGEI, YOGGIM, YOGGOS, YOGMIS, YOGMOY, YOKVOL, YOPJAR, YOPJEV, YOPJIZ, YOPJOF, YOPJUL, YOTNON, YOVZIU, YUBGOU, YUDDEH, YUGWEE, ZATXOK, ZATXUQ, ZATYAX, ZAXTAV, ZEBZAJ, ZEBZEN, ZEBZIR, ZEBZOX, ZEBZUD, ZECBAM, ZERPET, ZERPIX, ZERPOD, ZEZDOZ, ZEZFOB, ZIDVIT, ZIPWIH, ZOBHAC, ZOCKOU, ZODDAA, ZOGJEN, ZOGJIR, ZOGLEP, ZOLFAK, ZOLLEU, ZOLLIY, ZOLLOE, ZOZWOC, ZUKMAW, ZUKMEA