70376930 -OEChem-04162411543D 34 37 0 0 0 0 0 0 0999 V2000 1.5623 -1.3094 -0.0001 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0264 0.9911 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 1.1149 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -0.2734 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.0765 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2118 -1.3923 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0335 -0.5015 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 2.1305 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 2.4322 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -2.4583 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 3.4089 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0764 3.5599 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -1.2618 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 -2.4645 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7225 -0.6108 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7221 -0.6110 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1001 -0.8296 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0998 -0.8300 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7887 -0.9393 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2081 -2.3954 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9354 2.0655 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 2.6103 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1786 0.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 -3.3938 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9478 4.2812 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5158 4.5531 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4284 -1.2380 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 -3.4025 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2011 -0.5274 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -0.5278 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6367 -0.9145 -2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -0.9152 2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8613 -1.1096 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 11 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 3 5 1 0 0 0 0 3 9 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 6 21 1 0 0 0 0 7 16 2 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 M CHG 1 1 1 M END > 70376930 > 0.6 > 1 > 30 1 -0.08 10 -0.15 11 0.21 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 20 -0.15 21 0.15 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 5 0.36 6 0.21 8 -0.15 9 -0.15 > 1 > 4 6 1 2 3 4 5 6 rings 6 1 5 10 11 14 15 rings 6 2 3 8 9 12 13 rings 6 7 16 17 18 19 20 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0431DDE200000001 > 77.707 > 20.352 > 10411042 1 18338798914337002406 104564 63 18268150859650745308 10967382 1 18338517559787908260 10989021 7 18412546509017151040 1100329 8 18122626317434060200 11045515 52 18261107435486954741 11265709 11 18411419475528865132 11471102 20 18337389447550733247 11578080 2 17559647625975543705 116883 192 18268147548172860077 12236239 1 17775568667508562851 12363563 72 18336551525280624442 12553582 1 18411984650291598918 12623949 98 17758145922209126475 12788726 201 17974562494728109649 13004483 165 18195513814426940171 13009979 54 17774731938901336811 13134695 92 18410008857749967837 13140716 1 18122623031520140160 13533116 47 18196656405431263547 13544653 18 18335422335423441470 138480 1 18410856602758800260 13911987 19 18188221974040203942 14178342 30 17758944940723477386 14347332 77 18125733284055206822 14787075 74 18041570238276957906 14790565 3 17977116965351968300 14866123 147 17327454722852837090 15042514 8 17906173953822717720 16087824 20 17978510837380595477 16945 1 18338799017326163460 17357779 13 18335127670654737253 17818456 19 17631186212160378465 1813 80 18201171965619218750 18222031 100 18343858913902809374 18785283 64 17972323077194550369 200 152 18411695461400676239 20645477 70 18263070179949186167 21029758 11 18409444769535169746 21029758 27 18410300194050652686 21041028 32 18410865330359010817 21267235 1 18339651057560924094 21296965 67 18411417276241871992 21478907 32 18194117404499759643 21639500 275 18195239147337013901 21641784 216 18042707039127134468 221357 26 18263626430275995789 221490 88 18335421300562935965 22182313 1 18265591282755390092 2255824 54 18269559514460803252 23175994 123 18335143077061169223 2334 1 18338517418064374594 23402539 116 18341326691469058686 23419403 2 18115845504207453540 23558518 356 17828495669576991778 23559900 14 18337948012421666849 23598291 2 17988076837163897383 2748010 2 18268135479763235484 3091708 16 9067958821627972984 3421961 26 18410857702190858817 352729 6 17620469117372884412 458136 41 17902807584273759749 474 4 18124874822459339793 5104073 3 18124869055057071634 54173680 148 17977948977846518544 6443956 14 18409166610315663173 7164475 11 18192998123786217542 7364860 26 18267021833097466400 7471813 234 18131339843783553821 77492 1 17703516605298555559 81228 2 18120654621769412296 84936 182 17699006507159411185 > 406.61 7.73 3.51 0.91 3.89 3.49 0 -6 0 -2.79 0 1.01 -0.21 0 > 924.952 > 209.4 > 2 5 10 $$$$