2723650 -OEChem-03292403233D 12 12 0 0 0 0 0 0 0999 V2000 2.3894 0.0001 0.0003 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0835 -1.1280 0.0142 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0837 1.1279 -0.0146 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4776 -0.7615 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4776 0.7615 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7329 0.0000 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9903 -1.2045 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -1.1476 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9908 1.2044 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9168 1.1476 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2614 -2.0825 0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2613 2.0824 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 M END > 2723650 > 0.4 > 1 > 8 1 -0.38 11 0.37 12 0.37 2 -0.73 3 -0.73 4 0.3 5 0.3 6 0.5 > 0.8 > 4 1 1 acceptor 1 2 donor 1 3 donor 5 2 3 4 5 6 rings > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00298F4200000001 > 8.5716 > 20.359 > 139733 1 9222967966373785638 16714656 1 18410578383361479636 20096714 4 18338235942750099328 21015797 1 9294127263875560459 21040471 1 18266741268495456481 23552423 10 18260553290517358550 29004967 10 18337397148527458306 5460574 1 9223235147952523298 > 117.36 2.65 1.15 0.6 1.37 0 0 0 0 -0.33 0 0.04 0 -0.01 > 218.785 > 76.2 > 2 5 10 $$$$