6857524 -OEChem-03282411433D 45 48 0 1 0 0 0 0 0999 V2000 0.6216 -0.6710 0.4191 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3425 0.5247 0.1616 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9494 -0.4164 -0.3000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6921 0.2891 0.9005 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5897 0.8720 0.2104 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3326 -1.0635 0.5001 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3234 1.8681 0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -1.9969 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7032 2.0659 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3494 -2.2268 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0741 -1.4249 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 0.8440 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 1.4137 0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 -0.6388 -0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -1.0269 -0.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2948 1.4639 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9017 0.1238 -1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8154 -0.7296 1.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 0.5710 -0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -0.3329 -1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 0.2444 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 0.8104 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 -1.2498 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4241 1.9222 1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 2.7089 0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6568 -2.8310 0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1441 -2.0145 -1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5853 2.1921 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 2.9851 0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 -3.1596 0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1671 -2.3704 1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 -2.3075 -0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1104 -1.7653 0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6847 1.4741 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8892 1.1888 -1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3123 2.3891 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5566 1.2445 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 -0.9440 -1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1209 -0.8257 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4284 -1.9724 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1189 -0.9320 -1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5095 1.7440 -1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 2.2428 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7945 -0.0664 -0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2331 0.1652 -2.1499 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 8 1 0 0 0 0 1 18 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 M END > 6857524 > 0.6 > 1 2 > 0 > 2.2 > 4 5 3 5 11 12 14 rings 6 1 2 3 5 7 9 rings 6 1 2 4 6 8 10 rings 6 4 6 13 15 16 17 rings > 17 > 6 > 0 > 0 > 0 > 0 > 1 > 1 > 0068A33400000001 > 36.0102 > 20.432 > 10062212 137 18271519810591553915 10608611 8 18337672043751525336 10967382 1 18266465312841715794 11132069 177 18341328907930217672 116883 192 17983865475917662814 124424 183 18333732407848009650 12500047 106 18260545649564596270 12553582 1 18340219513704181784 12730499 353 18042400228386237637 13140716 1 18412270518824356704 13464514 151 18118960296231917373 13571099 22 18413388735219329068 13583140 156 16732985340170005808 14144814 61 18411142450201661362 14250199 8 18341049730413091021 14251745 187 18411129247124248096 14289901 80 14405189464979841290 14911166 2 18409728443529835332 14993402 34 18411136922430999686 15196674 1 18411422812834498680 15375358 24 18413385462760120192 15442244 35 18411422769990340370 15536298 74 18273494593942081576 15775835 57 18113335288879931439 16945 1 18196094567008779888 17834072 14 18342167895521547168 18186145 218 18410013208504300684 18219364 16 18261966175769762057 19862831 5 18409445881979217742 200 152 17775563143483963310 20645477 70 18272936016286518878 21029758 11 18272647956914083112 21267235 1 18340219543642585986 21501502 16 18339932622341174560 21524375 3 18333730191608247403 21634736 98 18200584907998508077 21637258 2 15841258364150999599 221490 88 18266743665208507530 22802520 49 18194117645397528617 2334 1 18411705425661083880 23402539 116 18270677568000394830 23402655 69 18341892957010495732 23493267 7 17603588521209422224 23559900 14 18413392021634149522 238 59 17683762624537785525 25 1 18262795160371559887 2748010 2 18267591388647006288 335352 9 18266182729916430254 34934 24 18408880737925158282 350125 39 18263938781329394201 4028521 119 18261103059184253437 4175511 318 17603867792904813567 5104073 3 18410296926028830264 69090 78 18411699880826740451 74978 22 18335702783960704808 8809292 202 18335988661157776051 93112 12 18409166644722672804 9709674 26 18340206413716409710 > 349.85 7.1 2.26 0.95 2.53 0.12 0.05 -0.5 2.15 -0.2 -0.24 -0.63 -0.01 0.11 > 738.219 > 189.8 > 2 5 10 $$$$