650 -OEChem-09032120403D 12 11 0 0 0 0 0 0 0999 V2000 1.3283 1.1606 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3283 1.1605 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7572 0.0780 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7573 0.0779 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.2385 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4749 -1.2385 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -1.8043 0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 -1.0595 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 -1.8054 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 -1.8044 0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 -1.0597 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2213 -1.8054 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 M END > 650 > 0.4 > 1 5 6 2 3 4 > 6 1 -0.57 2 -0.57 3 0.51 4 0.51 5 0.06 6 0.06 > 1 > 2 1 1 acceptor 1 2 acceptor > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0000028A00000001 > 4.322 > 10.157 > 139733 1 9295288343648761891 16714656 1 17762063142376734094 20096714 4 18337956671023143673 21015797 1 9295025556074541761 21040471 1 18122626050360006853 24536 1 18338502097462381607 29004967 10 17974011944461426651 > 111.74 2.06 1.49 0.58 0 0.08 0 0.3 0 0 0 0 0.04 0 > 204.775 > 71.3 > 2 5 10 $$$$