8894 -OEChem-03292411273D 16 16 0 0 0 0 0 0 0999 V2000 -1.3754 -0.0008 -0.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 0.0006 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7054 -1.2532 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7043 1.2539 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7476 -1.1849 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 1.1843 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5836 0.0005 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4671 0.0012 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 -1.3265 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -2.1470 0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1879 2.1480 0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 1.3278 -1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 -2.0437 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8267 -1.2126 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8287 1.2125 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3027 2.0423 -0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 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 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 M END > 8894 > 0.4 > 1 > 3 1 -0.56 5 0.28 6 0.28 > 1.2 > 2 1 1 acceptor 6 1 2 3 4 5 6 rings > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000022BE00000001 > 3.7336 > 10.148 > 16714656 1 18410583881188630934 20096714 4 18410294704945239762 21015797 1 9151173147009137320 21040471 1 18194684765431949776 > 117.61 1.64 1.58 0.65 0 0.06 -0.01 -0.03 0.01 0 -0.02 0 0.02 0 > 221.141 > 72.9 > 2 5 10 $$$$