9164 -OEChem-09292111303D 36 40 0 0 0 0 0 0 0999 V2000 0.2254 0.7094 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2254 -0.7093 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0177 1.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0175 -1.4269 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 0.7166 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2486 -0.7167 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 1.3684 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4893 -1.3683 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 0.6983 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 2.8500 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -2.8499 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 1.4805 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -1.4806 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 1.3888 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 -1.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2789 3.5619 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 -3.5621 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 2.8734 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4701 -2.8736 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1595 0.6952 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1594 -0.6951 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5398 2.4553 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -2.4553 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 3.4592 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1812 -3.4590 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4268 1.0031 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4268 -1.0033 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 2.4767 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -2.4767 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 4.6474 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2692 -4.6475 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4156 3.4070 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4153 -3.4073 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0987 1.2403 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0986 -1.2401 -0.0004 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 7 2 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 11 2 0 0 0 0 4 6 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 9 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 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 14 20 1 0 0 0 0 14 28 1 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 16 22 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 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END > 9164 > 0.6 > 1 > 28 11 -0.15 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 35 0.15 36 0.15 7 -0.15 8 -0.15 > 0 > 5 6 1 2 3 4 5 6 rings 6 1 2 7 8 9 10 rings 6 3 5 11 13 17 19 rings 6 4 6 12 14 18 20 rings 6 9 10 15 16 21 22 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000023CC00000001 > 89.5429 > 25.46 > 10050765 1 18410575085855172874 10319926 262 18269534119363713658 10411042 1 18050287265019750123 10493431 412 18269000786988189977 10616163 171 18411420622427928382 10967382 1 17978510836640850311 1100329 8 17832702375047535434 11045515 52 18043805601244981223 11370993 70 18194679267884581340 11578080 2 17201902920295092905 12107183 9 17974841779857406314 12173636 292 18338232648494671269 12390115 104 18127989515473190449 12403259 226 18199183065291327344 12553582 1 18050009084361524615 12788726 201 18262231226464836346 13004483 165 18267857466235052051 13140716 1 18267311009161236857 133893 2 15865781913824012052 13583140 156 14117531942876460983 138480 1 16537077313618127715 14178342 30 18336529578646198986 14223421 5 18269550697220148112 14508225 48 18196359532632403941 14790565 3 18124321501823297769 14866123 147 18338234856187255419 15042514 8 18409454712912091259 15196674 1 18410573990100487682 15230672 131 18048042866305284318 16087824 20 18410293623895310997 16752209 62 18339067233670500083 17492 89 18409730668956780818 19591789 44 17977950081457967287 19930381 70 17545599418972681825 20510252 161 18342459235700474761 20775438 99 16544909706643913743 21033648 29 18195797484343559800 21049683 271 17395020193826842447 21065198 57 18411136910052441480 21133410 171 17474047420370820818 21236236 1 18413670214190242166 21267235 1 18265623250007050546 21307412 95 17626968382688401390 21478907 32 18338515373713079003 23227448 37 18411699850894072348 2334 1 18410855495041749121 23402539 116 18271239529948223703 23557571 272 18272097114599686524 23558518 356 18261398844907695458 23559900 14 18199749134013698950 238 59 16888603374488811285 23845131 108 17977961081613589697 25147074 1 18040435495649085476 2748010 2 17908972546097027337 3091708 16 9201967294678909577 335352 9 18194401083448736830 350125 39 18411141333621193953 352729 6 18339924788536877061 4214541 1 18410855452076355844 484989 97 18262510533654180727 5104073 3 18412541012181485098 532947 4 17548136632295632639 54173680 148 18410575114738405993 7097593 13 17899117331525672186 7164475 11 18337113483507738964 7364860 26 17329710916892026773 9709674 26 18343023255380535558 9981440 41 18048878498782720753 > 452.75 8.64 4.17 0.62 10.37 0 0 0 0 -5.71 0 0 0 0 > 1049.581 > 210.8 > 2 5 10 $$$$