179 -OEChem-09032120363D 14 13 0 1 0 0 0 0 0999 V2000 -1.5052 1.0096 -0.1973 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 1.2374 0.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7233 -0.1562 -0.4013 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7242 0.1428 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -1.2667 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7255 -0.9669 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7765 -0.4229 -1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2049 -1.0223 1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 -2.2190 0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3634 -1.4019 0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6071 -1.7165 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7385 -0.5573 -0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5849 -1.4229 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 1.6834 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 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 3 7 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 M END > 179 > 0.4 > 3 5 1 4 2 > 6 1 -0.68 14 0.4 2 -0.57 3 0.34 4 0.45 6 0.06 > 1 > 3 1 1 acceptor 1 1 donor 1 2 acceptor > 6 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 000000B300000003 > 1.5321 > 15.231 > 139733 1 8502360127509931710 16714656 1 17898017836565457886 20096714 4 18339636746344349693 21040471 1 18118118078508637653 24536 1 18189041139707972316 29004967 10 18201443549602737850 5943 1 14298269243385280239 > 111.74 2.09 1.38 0.69 0.16 0 0 -0.32 0 -0.09 0.14 -0.02 -0.04 0.3 > 200.334 > 73 > 2 5 10 $$$$