219234 -OEChem-03292406423D 23 23 0 0 0 0 0 0 0999 V2000 2.3325 -0.2294 1.8676 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -0.0153 0.1180 P 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 -1.1918 -1.0054 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8503 1.3961 -0.6898 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4879 -2.5118 -0.6043 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4916 2.5816 0.0169 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -0.0092 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0086 0.2838 -1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 -0.2982 1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 0.2884 -1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 -0.2937 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1265 -0.0005 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4585 0.4995 -2.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 -0.5345 2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 -1.0400 -1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5538 1.4836 -1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 0.5142 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0191 -0.5200 2.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2123 0.0020 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4768 -2.6198 -0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8863 -3.1777 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4821 2.7115 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9012 3.3851 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 M END > 219234 > 0.6 > 1 9 12 7 10 11 3 6 5 8 2 4 > 23 1 -0.68 10 -0.15 11 -0.15 12 -0.15 13 0.15 14 0.15 15 0.36 16 0.36 17 0.15 18 0.15 19 0.15 2 1.35 20 0.36 21 0.36 22 0.36 23 0.36 3 -0.63 4 -0.63 5 -0.72 6 -0.72 7 -0.14 8 -0.15 9 -0.15 > 3 > 1 6 7 8 9 10 11 12 rings > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0003586200000001 > 22.8983 > 5.074 > 10219947 1 18340751690190365146 10857977 72 16661212593143249817 12326174 3 18334012800461183360 12524768 44 18186526526856380671 12932764 1 17603592936805093363 16945 1 18412261735774387525 19786989 88 18337107981411941941 20082192 1 18409450314448933339 20645464 45 17822291322813377113 20711978 78 18409174319818674901 20711985 344 17615404758241322306 21524375 3 17685219765134043716 23211744 41 17752493315138034384 23235687 12 18335411404900341731 23552423 10 18060421317763527415 2748010 2 16950277429890261507 3248919 1 18413385445443114027 369184 2 17603859040125525969 5084963 1 17846789476835339437 8030462 33 17346602984417271345 81228 2 17615684038558595640 > 234.73 4.23 1.74 1.55 1.57 0.55 -0.19 -0.21 -0.57 -1.48 0.3 -0.44 -0.51 0.59 > 446.072 > 146.3 > 2 5 10 $$$$