70261 -OEChem-03282405183D 13 13 0 0 0 0 0 0 0999 V2000 2.3016 -0.2208 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3021 -0.2229 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 -0.6668 -0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 0.1099 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1281 0.1066 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 -2.1164 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 1.5063 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6681 1.5043 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1579 -2.4564 1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8271 -2.4824 -0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 -2.4995 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3158 2.3647 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 2.3610 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 M END > 70261 > 0.4 > 1 > 10 1 -0.57 12 0.15 13 0.15 2 -0.57 3 -0.42 4 0.62 5 0.62 6 0.3 7 -0.14 8 -0.14 > 0.2 > 3 1 1 acceptor 1 2 acceptor 5 3 4 5 7 8 rings > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0001127500000001 > 5.6407 > 15.223 > 16714656 1 18410298008007199036 18185500 45 18340482270865165759 21040471 1 18122626316764205637 23552423 10 17973736770185999286 29004967 10 18335990795904078809 > 147.92 2.11 1.89 0.58 0 0.52 0 0.06 0 0 0 0 -0.01 0 > 308.564 > 85.8 > 2 5 10 $$$$