2703 -OEChem-10201908323D 44 48 0 0 0 0 0 0 0999 V2000 5.1819 -1.8038 -0.1605 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1237 0.4079 -0.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1296 -1.8684 -0.0948 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8618 0.2469 0.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0366 -1.2505 -0.0851 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5571 -0.0409 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2858 1.1039 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 0.0676 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 0.9331 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2367 -0.3731 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 1.3661 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -1.4406 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 2.3587 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8616 -1.0436 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7399 2.4868 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9628 1.5367 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2275 -0.8361 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6232 -0.6004 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6539 1.9906 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7638 0.4203 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6169 -2.5555 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 0.4622 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0326 1.7589 0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3832 -1.0073 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3575 -2.5490 1.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5133 0.2298 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7377 -2.4545 -0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 3.2791 0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6662 -2.0899 -0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 3.4866 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 2.5242 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 3.0263 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 -2.6171 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1614 -2.7406 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0917 -3.3918 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7169 2.6007 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9643 -1.1961 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9771 -1.3163 0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6641 -3.5736 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1615 -2.0628 1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4489 -2.5853 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5770 0.0365 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1063 -0.5658 -1.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4060 1.1983 -1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 20 1 0 0 0 0 2 24 1 0 0 0 0 3 18 1 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 5 1 M END > 2703 > 0.6 > 1 2 > 28 1 -0.36 12 0.21 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.08 18 0.08 19 -0.15 2 -0.36 20 0.08 21 0.49 22 0.08 23 -0.15 24 0.56 25 0.28 26 0.28 27 0.15 28 0.15 29 0.15 3 -0.36 30 0.15 31 0.15 32 0.15 36 0.15 4 -0.36 5 -0.21 6 0.36 > 2.6 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 5 1 2 17 20 24 rings 6 5 6 7 9 10 12 rings 6 6 7 8 11 13 15 rings 6 8 11 14 16 17 20 rings 6 9 10 18 19 22 23 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00000A8F00000001 > 139.7225 > 45.906 > 10 15 18341601656229975520 10906281 52 18268451099313003516 11578080 2 16807557380452398623 12011746 2 18408319973651284637 12107183 9 17688588260549109738 12236239 1 17775564230443271317 12403259 226 18339921636052572113 12516196 113 18060133232695284024 12838862 33 18339342133679969456 13140716 1 18413396431584881233 13402501 40 18410293605401956982 13862211 1 18340202995075188950 14341114 176 18408610279239089337 14790565 3 18411143515475324512 15183329 4 18410292493010702056 15196674 1 18411139160262078088 15927050 60 17695345172378296532 17492 89 18192996152122240179 1813 80 17458060478552621692 18681886 176 18343292691141681969 19591789 44 18411138073281768402 200 152 17989203733171005113 20028762 73 18059850662375514262 21033648 29 17775270673644319690 21236236 1 18341895139334137697 21267235 1 18411707573070885112 21279426 13 18408323289207963479 21682296 61 18058740095718091950 21859007 373 17970039219729845708 221357 26 18412258419843805452 221490 88 18337114582576384921 23402539 116 18272083907311630694 23522609 53 18196121947505627793 23559900 14 18338229466319621593 3004659 81 18333170553628168004 3178227 256 18409741663987825043 335352 9 18411136935711618765 34797466 226 16486975120336519400 350125 39 18410857684932153925 3545911 37 18408322181628367565 3680242 22 18264490585832224210 4073 2 18114186375626333762 4214541 1 18411139121269924713 5104073 3 18413108368507783408 59755656 215 18335700503317519367 59755656 520 17458059374682839931 6138700 20 18338518539156697678 9709674 26 18264211485608294611 > 506.61 14.02 2.63 0.72 1.68 0.21 0.01 2.7 1.41 -0.48 -0.33 -0.61 0.11 0.64 > 1159.007 > 264.6 > 2 5 10 $$$$