188914 -OEChem-04242421043D 37 37 0 1 0 0 0 0 0999 V2000 4.7149 -1.7849 -1.4396 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9496 1.1120 -0.6933 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9939 -0.3804 0.6139 N 0 0 2 0 0 0 0 0 0 0 0 0 -5.4260 0.2399 -0.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0018 0.0523 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6507 -0.0397 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3979 -0.2135 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 -0.4297 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -1.8210 0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -0.0578 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3271 1.6842 -0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7569 -0.1161 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.9661 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3403 1.1861 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8369 -0.6218 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6213 1.5302 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3696 0.6265 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8691 -0.4432 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8547 1.1257 -0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 1.0443 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4497 -0.5141 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5244 0.2570 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5609 -1.2879 0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2443 0.0408 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4594 -1.5077 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3912 -2.1661 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9372 -2.4084 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0567 -2.1079 1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1859 2.0454 -1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 1.9526 -1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3052 2.2436 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5260 0.1806 -0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9849 0.3593 0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8485 -1.2013 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 -1.9362 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7642 1.8973 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0205 2.5076 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 16 2 0 0 0 0 14 36 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 M END > 188914 > 0.8 > 15 37 60 61 55 40 42 23 65 53 19 22 54 70 68 62 59 38 16 56 24 58 33 47 52 14 35 8 43 26 64 4 32 69 27 46 28 29 13 34 67 5 50 51 7 71 10 2 57 72 41 66 31 73 48 44 39 12 49 25 3 9 30 1 11 6 21 36 18 63 45 20 17 > 20 1 -0.18 10 -0.14 11 0.27 12 0.27 13 -0.15 14 -0.15 15 0.18 16 -0.15 17 0.18 2 -0.18 3 -0.81 35 0.15 36 0.15 37 0.15 4 -0.81 5 0.27 6 0.27 7 0.27 8 0.14 9 0.27 > 6 > 3 1 3 cation 1 4 cation 6 10 13 14 15 16 17 rings > 17 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0002E1F20000000F > 40.2676 > 15.223 > 10354089 29 13406791130049793356 10378564 45 18341046307387329844 10447042 23 16845570898927670116 10670039 82 17458908115395383916 11471102 20 18201723959759693226 12236239 1 15574712521471761360 12390115 104 18189053093636393221 12596602 18 12829494727535099061 12670543 26 18341896255513431557 12730499 353 18334581230666839267 12916748 109 18259983765190338865 13533116 47 17704073967035671502 13836976 161 17489592285824647356 13862211 1 12175618491090935373 14573314 32 18411418388939296597 14848160 23 10447926166240571613 14933364 13 18412546501350408409 15048467 5 17748825236905077876 15183329 4 17489591138999943585 15188451 53 12247680443998130453 15242439 84 18411420622032075170 15348495 7 8574421033162700709 15475509 35 12390964359273004916 17834072 33 18131346432099556783 17834072 8 18343866631884803845 18222031 100 14620796002900392050 200 152 16774080661342556755 20281389 69 16877937226867282245 20369508 70 15985097522767470458 20645477 56 18186517735179684043 20645477 70 18060704961799248278 20871999 31 18263921201870483179 21150785 3 17918274289797883893 212847 35 17894342272589626488 21637258 2 14979688650491495964 22061861 79 18060699468503980093 221357 26 18272650129898671817 2215653 11 18343867709974427375 22224240 67 11025799829740957496 22289505 5 18412825789904143148 23253445 4 7997963579267845323 23402539 116 17822570624963786946 23402655 69 18342458153468871264 23536379 177 17632578241151721091 23557571 272 18188216531815135450 23559900 14 18272367611291829114 29717793 49 16128665162616507608 3004659 81 15267060362920497657 312425 54 9295294971411041349 32948 21 18335984181564804422 3472631 163 17386012818399165142 34797466 226 18409173233503243981 351380 3 14405183976106745173 3545911 37 18410012165064631185 4072396 5 18342166783821161634 42 15 10015588315251924449 465052 167 16558752333933467373 522135 26 17989767800148018410 5281201 14 18341896268588601388 5374978 207 7853575712028589766 542803 24 15502095254297924067 59682541 52 18201155447180279718 6025842 7 18131635586873646278 90127 26 18333453136347862169 960060 61 17846500339795260900 > 343.63 16.03 1.62 1.13 15.81 0.12 -0.05 -3.24 -6.39 -1.14 -0.18 -0.37 0.11 1.65 > 667.801 > 210.6 > 2 5 10 $$$$