SCSD model generated from precomputed using C2v symmetry, available as corrole

Table 1; Model atom positions

xyzat
-2.7327-0.00.9917C
-3.4068-0.02.2424C
-2.4831-0.03.2197C
-1.2063-0.02.625C
-0.0-0.03.2894C
1.2063-0.02.625C
2.4831-0.03.2197C
3.4068-0.02.2424C
2.7327-0.00.9917C
3.34210.0-0.2598C
2.56450.0-1.4148C
2.91280.0-2.7915C
1.75760.0-3.5284C
0.69520.0-2.627C
-0.69520.0-2.627C
-1.75760.0-3.5284C
-2.91280.0-2.7915C
-2.56450.0-1.4148C
-3.34210.0-0.2598C
-1.3604-0.01.2442N
1.3604-0.01.2442N
1.20740.0-1.3462N
-1.20740.0-1.3462N

Figure 2; Model atom positions and symmetry operations



00000_ABAYEL, 00001_AGACAP, 00002_AGUKUI, 00003_AGUKUI, 00004_AGULAP, 00005_AGULAP, 00006_AGULET, 00007_AJIGEH, 00008_AJIGEH, 00009_AJIGIL, 00010_AKAZOC, 00011_AKAZOC, 00012_APIXII, 00013_APIYOP, 00014_AQUMOR, 00015_ARIWUU, 00016_ASINOH, 00017_ASOBOB, 00018_ASOBUH, 00019_ASUYET, 00020_ASUYET, 00021_ATETUO, 00022_ATIXEH, 00023_ATIXIL, 00024_ATIXOR, 00025_ATUVIX, 00026_ATUVUJ, 00027_ATUWAQ, 00028_ATUWEU, 00029_ATUWEU, 00030_ATUWIY, 00031_ATUWOE, 00032_AVOBUI, 00033_BACJIA, 00034_BAQPUF, 00035_BASDAC, 00036_BASDAC, 00037_BATKUE, 00038_BATKUE, 00039_BATLAL, 00040_BATLAL, 00041_BATLAL, 00042_BATLEP, 00043_BATLEP, 00044_BATLEP, 00045_BATLEP, 00046_BAVREV, 00047_BAWHIR, 00048_BAWHOX, 00049_BAYSOL, 00050_BAYSUR, 00051_BEBLUR, 00052_BEBMAY, 00053_BEBMAY, 00054_BEBTOS, 00055_BEDYIW, 00056_BEDYIW, 00057_BEGDEY, 00058_BEGDEY, 00059_BENYID, 00060_BERVOK, 00061_BERVOK, 00062_BIBZAR, 00063_BIBZEV, 00064_BIBZIZ, 00065_BIHQER, 00066_BINCUX, 00067_BINCUX, 00068_BINDAE, 00069_BINDAE, 00070_BIRCOU, 00071_BODKOX, 00072_BODKOX, 00073_BODKUD, 00074_BODLEO, 00075_BODLIS, 00076_BODMEP, 00077_BOPLAV, 00078_BOZDAY, 00079_BUCTOJ, 00080_CAGROT, 00081_CAGROT, 00082_CAGROT, 00083_CAGROT, 00084_CAHJIH, 00085_CAHYIV, 00086_CAHYIV, 00087_CAHYOB, 00088_CAHYOB, 00089_CAJKEG, 00090_CASNUI, 00091_CAWVAZ, 00092_CAWVAZ, 00093_CAYCAH, 00094_CAYZUY, 00095_CEBVEN, 00096_CEBVIR, 00097_CEDMIK, 00098_CEDMOQ, 00099_CEGJOR, 00100_CEGJOR, 00101_CEGJOR, 00102_CEGJOR, 00103_CEGJOR, 00104_CEGJOR, 00105_CEGJOR, 00106_CEGJOR, 00107_CEGJUX, 00108_CEGJUX, 00109_CEGJUX, 00110_CEGJUX, 00111_CEGJUX, 00112_CEGJUX, 00113_CEGKAE, 00114_CEGKEI, 00115_CEGKIM, 00116_CEGKIM, 00117_CEGKUY, 00118_CEGKUY, 00119_CEJPAK, 00120_CEJZEY, 00121_CEJZIC, 00122_CEJZOI, 00123_CELCOO, 00124_CELCOO, 00125_CELCOO, 00126_CELCOO, 00127_CELCUU, 00128_CEMBIG, 00129_CIGSAN, 00130_CIGSER, 00131_CILDEI, 00132_CILDIM, 00133_CILDOS, 00134_CILDUY, 00135_CISGUH, 00136_CISHAO, 00137_CNRHBR, 00138_COBYIC, 00139_CODZAW10, 00140_COHYII, 00141_COHYOO, 00142_CORCOP01, 00143_COVDEW, 00144_COVDEW01, 00145_COVDIA, 00146_COWQIP, 00147_COWQIP, 00148_COWQIP, 00149_COWQIP, 00150_CUGXOU, 00151_CUGXOU, 00152_CUGXOU, 00153_CUGXOU, 00154_CUGXOU, 00155_CUGXOU, 00156_CUGXOU, 00157_CUGXUA, 00158_CUGXUA, 00159_CURFIH, 00160_CURWOB, 00161_CUVCIF, 00162_CUVCOL, 00163_CYCOAM, 00164_CYMCOR, 00165_DABXUA, 00166_DABXUA, 00167_DABYAH, 00168_DADCBL, 00169_DADCBL01, 00170_DADJOI, 00171_DADJUO, 00172_DADJUO, 00173_DADKAV, 00174_DAPBIH, 00175_DAPBIH, 00176_DAPBIH, 00177_DAPBIH, 00178_DAPBIH, 00179_DAPBIH, 00180_DAQSEW, 00181_DAQSEW, 00182_DAQSIA, 00183_DASRIC, 00184_DEGPOW, 00185_DEGPOW, 00186_DEGROY, 00187_DEMSIX, 00188_DEMTUK, 00189_DIJCAC, 00190_DIJCAC, 00191_DIJQEV, 00192_DODDAD, 00193_DODDEH, 00194_DOFVAV, 00195_DOLWIK, 00196_DONKOH, 00197_DONKOH, 00198_DOPBOA, 00199_DORLEB, 00200_DOWLUZ, 00201_DOXBAU, 00202_DUGQAX, 00203_DUVBAZ, 00204_EBIPIR, 00205_EBOYIG, 00206_EBOYIG, 00207_EBOYOM, 00208_EBOYUS, 00209_EBOZAZ, 00210_EDIWOG, 00211_EDIWUM, 00212_EDIXAT, 00213_EDIXEX, 00214_EHILIT, 00215_EHMCOR, 00216_EJADAU, 00217_EJADEY, 00218_EJADIC, 00219_EJADOI, 00220_EKOQON, 00221_ELAGIH, 00222_EMCORR, 00223_ENAVAR, 00224_EPOSIM, 00225_EPOSUY, 00226_EPOSUY, 00227_EQOYOB, 00228_EQOYUH, 00229_EQOYUH, 00230_EQOYUH, 00231_EQOYUH, 00232_EQOZAO, 00233_EQOZAO, 00234_ERASUN, 00235_ERASUN, 00236_ERATAU, 00237_ERATEY, 00238_ERATIC, 00239_ERATOI, 00240_ERATUO, 00241_ESOSAJ, 00242_ESOSAJ, 00243_ESOSEN, 00244_ESOSEN, 00245_ESOSIR, 00246_ESOXIW, 00247_EXANUO, 00248_EXANUO, 00249_EXATEE, 00250_EXATEE, 00251_EXATEE, 00252_EXATEE, 00253_EXATII, 00254_EXATII, 00255_EXATII, 00256_EXATII, 00257_EXATOO, 00258_EXATOO, 00259_EXATOO, 00260_EXATOO, 00261_EXATUU, 00262_EXAVAC, 00263_EXAVAC, 00264_EXAVAC, 00265_EXAVAC, 00266_EXAVAC, 00267_EXODUQ, 00268_EZECOE, 00269_FAFQAH, 00270_FAFXAN, 00271_FAFXER, 00272_FAGYAQ, 00273_FANDEF, 00274_FANDIJ, 00275_FATDOU, 00276_FATDOU, 00277_FATDUA, 00278_FATFAI, 00279_FATFAI, 00280_FEGDAW, 00281_FEXSIL, 00282_FEYPEH, 00283_FEYPEH, 00284_FEYPIL, 00285_FEYPOR, 00286_FEZJAW, 00287_FIFXEA, 00288_FIFXIE, 00289_FIKTEB, 00290_FIKTEB, 00291_FIMTED, 00292_FIMTED, 00293_FIMTED, 00294_FIMTED, 00295_FIMXEG, 00296_FINKEV, 00297_FINKEV, 00298_FINLAS, 00299_FIQXEI, 00300_FIZMUW, 00301_FIZMUW01, 00302_FIZMUW02, 00303_FOGMAP, 00304_FOJJUM, 00305_FOJKAT, 00306_FOJKAT, 00307_FOJKEX, 00308_FOKPUS, 00309_FOKQAZ, 00310_FOKQED, 00311_FUJGIC, 00312_FULCIA, 00313_FULCOG, 00314_FULCUM, 00315_FULDAT, 00316_FULDEX, 00317_FUNPIP, 00318_FUNPOV, 00319_GABXIS, 00320_GABXIS, 00321_GAFVEQ, 00322_GAMHUB, 00323_GAMKEL, 00324_GAMKEL, 00325_GEDQAI, 00326_GEDQEM, 00327_GEDQIQ, 00328_GEGRIX, 00329_GEKWOM, 00330_GEKWUS, 00331_GIBMOU, 00332_GIBMOU01, 00333_GIBXOF, 00334_GIBXUL, 00335_GIFJEL, 00336_GIFJEL, 00337_GIFYAW, 00338_GIFYEA, 00339_GIGHOW, 00340_GINNEY, 00341_GIYKIJ, 00342_GIZYOD, 00343_GIZYUJ, 00344_GODLAN, 00345_GODLER, 00346_GONJAW, 00347_GONJEA, 00348_GONJIE, 00349_GONYOZ, 00350_GONYUF, 00351_GONZAM, 00352_GOPNIK, 00353_GOTNEL, 00354_GUBNEY, 00355_GUBNIC, 00356_GUPGEF, 00357_GUPGIJ, 00358_GUQRAL, 00359_GUQRAL, 00360_GUTKUE, 00361_GUTKUE, 00362_GUTLAL, 00363_GUTLAL, 00364_GUTLEP, 00365_GUTLIT, 00366_GUTLOZ, 00367_GUTLUF, 00368_GUTLUF, 00369_GUWXOL, 00370_GUZDOU, 00371_GUZDOU, 00372_GUZDOU, 00373_GUZDOU, 00374_GUZDOU01, 00375_GUZDOU01, 00376_GUZDOU01, 00377_GUZDOU01, 00378_HACBCO10, 00379_HACBCO10, 00380_HAFQEM, 00381_HAFYIY, 00382_HAFYOE, 00383_HAFYUK, 00384_HAFYUK, 00385_HALNIV, 00386_HAPVEC, 00387_HAPVEC, 00388_HATGER, 00389_HAWXIP, 00390_HAWXOV, 00391_HAWXUB, 00392_HEFMAK, 00393_HEHRUK, 00394_HEHSAR, 00395_HEHWID, 00396_HEHWID, 00397_HEQYUA, 00398_HEWPOO, 00399_HEWPUU, 00400_HIJRAU, 00401_HIQDET, 00402_HOKQOP, 00403_HOMRIN, 00404_HOMRIN, 00405_HOPWOB, 00406_HOQLIL, 00407_HOQLIL, 00408_HOZTAT, 00409_HUCPEC, 00410_HUCPEC, 00411_HUHHIE, 00412_HULSUC, 00413_HUQJAE, 00414_HUQJEI, 00415_HUQJEI, 00416_HUSPAM, 00417_HUSPEQ, 00418_HUSPIU, 00419_HUSPOA, 00420_HUYNOF, 00421_HUYNUL, 00422_IBABUK, 00423_IBAPIM, 00424_IBAPOS, 00425_IBAPUY, 00426_IBAQAF, 00427_IBAQEJ, 00428_IBAQEJ, 00429_IGUCAQ, 00430_IJAXAU, 00431_IJAXEY, 00432_IMOMIJ, 00433_INIZUA, 00434_IPUNUF, 00435_IPUPAN, 00436_IPUVOH, 00437_IPUVUN, 00438_IPUWAU, 00439_IPUXEZ, 00440_IPUXEZ, 00441_IQOCAV, 00442_IQOCAV, 00443_IQOHEE, 00444_IQOHII, 00445_IQONAG, 00446_IQONAG, 00447_IRETIK, 00448_IREVAE, 00449_IREVEI, 00450_IREVOS, 00451_IREVOS, 00452_IROGAY, 00453_IROGAY, 00454_IROGAY, 00455_IRUPIW, 00456_IRUPOC, 00457_IRUPUI, 00458_ISAZUZ, 00459_ISAZUZ, 00460_ISAZUZ, 00461_ISAZUZ, 00462_ISUKAI, 00463_ISUREW, 00464_IYESOU, 00465_IYESOU, 00466_IZUPAX, 00467_IZUPAX, 00468_IZUPEB, 00469_IZURAZ, 00470_JAJRAR, 00471_JAJREV, 00472_JAJREV, 00473_JAKPIY, 00474_JAKPOE, 00475_JAWCAO, 00476_JAWCES, 00477_JAWCIW, 00478_JAWCOC, 00479_JAWCUI