6857457 -OEChem-04162410413D 48 51 0 1 0 0 0 0 0999 V2000 -0.4492 -0.7064 -0.3942 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7602 -0.5284 0.3738 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4902 0.4925 -0.0636 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4929 0.7694 -0.0147 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8201 0.3567 -0.8604 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2115 1.8551 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5116 -1.0026 -0.5840 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5991 1.9535 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 -2.0389 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8415 -1.5966 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7693 0.6197 0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 -2.1805 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1174 -0.8777 0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8275 1.4963 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8907 0.8732 -1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1463 -1.0538 0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4434 1.4573 0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 0.1112 1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6561 -0.7076 -1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 -0.4739 1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7192 0.4438 1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5601 0.3861 -1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2965 2.0512 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4028 2.6631 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3314 -1.1128 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4637 1.9840 1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0731 2.9025 0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4179 -2.8747 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 -2.1238 1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6247 -2.4695 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -1.9477 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5938 1.2510 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5781 0.8793 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -3.1222 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3432 -2.2563 -1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9309 -1.0476 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4507 -1.2546 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3733 2.4753 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6359 1.4079 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 0.8780 -2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5387 0.0514 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4431 1.8031 -1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 -1.9955 0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3763 -1.0417 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 1.6560 1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 2.2544 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 -0.0035 0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4733 0.0845 2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 M END > 6857457 > 0.6 > 1 2 > 0 > 2.2 > 4 5 2 4 10 11 13 rings 6 1 2 3 4 6 8 rings 6 1 3 5 7 9 12 rings 6 5 7 14 16 17 18 rings > 18 > 6 > 0 > 0 > 0 > 0 > 1 > 1 > 0068A2F100000001 > 49.4449 > 20.427 > 10062212 137 18408881871585703155 10608611 8 18339362950816676037 10759866 29 17968384562673027628 10967382 1 18339369663855672079 10980938 120 18411990181950746934 1100329 8 14447408963139409746 11132069 177 18409732867662713251 11680986 33 18195525879068955718 12077114 3 17895461532197480661 12251169 10 18335134306748389914 12382932 28 18411983559068861579 12403814 3 17967814972768692941 12553582 1 18338249244606810469 13140716 1 18409732820106810843 13224815 77 18343300370537873743 13296908 3 18261114049678437901 13581323 91 18260546731959534960 13583140 156 17241308274694758348 13693222 15 18259707812897869241 14178342 30 18337678498897590745 14223421 5 18339925896348347604 14289901 80 17060615573131089419 15196674 1 18410578391798446363 15219456 202 18410012109214147551 15309172 13 18272650168526555446 15375358 24 18410006598982272261 15536298 74 18272661116461580942 15775835 57 17775282772419362126 16945 1 18265619770940479575 17349148 13 18338498790406239631 17804303 29 18194969543702903718 18186145 218 18412832360744735102 19862831 5 8935004775874317338 200 152 18272358798731146175 20510252 161 18343869900492293985 20525323 117 18343016666773823287 20559304 39 18335710437866869332 20715895 44 17971460820140889949 21267235 1 18337687368195038803 21501925 9 18333731333694625027 22854114 111 18411984658722920518 2334 1 18410015476210122783 23402539 116 18339912801040697423 23419403 2 16391198663230762089 23463225 33 18334577957748310748 23559900 14 18338801083411427718 2748010 2 18337963306821534327 2838139 119 14619644883552379690 296302 2 17847057791837076480 3286 77 15213012791036797700 34934 24 18342174471200723783 44154327 71 18265339576333872252 474 4 14763763352550622074 49207404 50 18339933696051454314 5104073 3 18410583864140800307 5374978 207 18408890641782178361 633830 44 17775291581508484916 7097593 13 18042675109981747770 7364860 26 18129667379128617726 7832392 63 17694790618473840224 84936 31 16988000458253164326 90316 7 17967530129984267029 9709674 26 18268991990472778335 > 370.43 7.21 2.22 1.09 0.34 0.25 -0.1 -0.37 2.06 -0.3 -0.16 -0.05 -0.08 0.42 > 782.714 > 202.3 > 2 5 10 $$$$