6739912 -OEChem-03192403033D 34 36 0 0 0 0 0 0 0999 V2000 1.8779 2.0978 1.1205 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -1.4779 -1.8424 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5002 -0.7784 1.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7911 -1.1437 1.5692 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 0.3924 -0.4456 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1575 0.6796 -0.7399 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 0.4782 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -0.5945 -0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 1.1283 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1192 -0.6540 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6287 0.7904 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5550 -1.4046 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 0.3287 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 0.1338 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7513 -0.0185 0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7147 -1.1043 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1474 -0.3880 0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 1.2022 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5984 -0.1302 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0203 1.3741 -1.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9711 0.6990 -0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3574 -1.6106 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 1.6238 1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5284 -2.2391 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 1.3199 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5252 -0.5300 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6677 0.1900 1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -1.7155 -0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 1.7316 -1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4061 2.0297 -2.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 0.9123 -0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9000 -2.2572 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7967 -2.2581 -0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1022 -1.0258 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 14 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 3 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 M END > 6739912 > 0.6 > 1 21 12 14 19 11 7 10 16 17 2 6 18 13 5 20 15 4 8 9 3 > 31 1 -0.57 10 0.54 11 -0.15 12 -0.15 13 0.01 14 -0.05 15 -0.15 16 -0.15 17 0.54 18 -0.15 19 0.09 2 -0.57 20 -0.15 21 -0.15 22 0.28 23 0.15 24 0.15 25 0.4 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.36 30 0.15 31 0.15 4 -0.57 5 -0.1 6 -0.52 7 0.09 8 0.09 9 0.54 > 3.2 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 donor 5 5 7 8 9 10 rings 6 13 17 18 19 20 21 rings 6 7 8 11 12 15 16 rings > 22 > 0 > 0 > 0 > 1 > 0 > 1 > 3 > 0066D7C800000001 > 65.9488 > 40.697 > 10 15 18337943589444369088 10354089 29 17203612601158198288 10688039 33 18341895164887982344 11315181 36 16732704952141592357 11545043 162 18187642501231393953 11796584 16 17822289029607056434 12107183 9 14761005570913594782 12236239 1 15574714677439939780 12596602 18 16630808820192040543 12616971 3 16702299061686986529 13782708 43 18335986441060902995 13862211 1 17604435219232600411 14294032 229 16589133933066397805 14341114 176 18131071536944236768 14341114 328 15554448496001287995 14386348 63 18409732846013809894 14848160 23 18409164398375701122 14849402 71 16558174047253401384 15183329 4 14923942340672480946 15188451 53 17676762149957406099 15475509 35 18041827425836031418 15788980 27 18409443683145801484 16752209 62 17022899069335745545 17844677 252 17894915126379423396 17980427 23 14620785033438412929 18222031 100 15863786218404229180 18927931 339 17749111097955988235 19377110 9 16128656366734397775 19489759 90 17821726118281544365 200 152 17346589755855001573 20511986 3 15913036569891011081 20645477 70 18059006190743606006 21033648 29 18270380733604059400 21033650 10 16735247980992589428 21065201 7 17822284669888105497 21267235 1 17168152256431006715 21623969 137 18202566176475534214 2297311 6 17894634738466892149 23402539 116 17530960281264354511 23559900 14 17459194139386207701 239999 70 18334013883331122514 26918003 58 18272651242368534849 29717793 49 15285635482559248274 300161 21 14907900449238771277 3004659 81 16732988630309892822 34797466 226 17968108529551652764 465052 167 18341330007911636110 5104073 3 17987518109136889394 559249 180 16733257976599529459 59755656 215 17821723927769687187 602551 16 17748827431664819826 7495541 125 18259987089205142108 > 419.31 15.32 1.54 1.37 4.33 0.04 0.13 -4.88 -2.82 0.86 0 -0.29 -0.04 2.26 > 925.362 > 223.9 > 2 5 10 $$$$