B8KF4D -OEChem-04042105273D 28 28 0 1 0 0 0 0 0999 V2000 -0.7319 0.9913 1.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9146 -1.8474 -0.5498 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8619 1.9800 -0.0224 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7836 0.8004 -1.6339 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0437 -0.1095 0.8998 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5276 -0.6250 0.3862 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8584 -0.8141 0.4119 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0003 -0.8556 -1.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 -0.0069 -1.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 0.8100 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -0.0442 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8351 -0.0650 0.6411 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9087 -1.1424 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 0.9283 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 -1.8195 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1576 -1.8792 -1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1323 -0.4473 -1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0837 0.6207 -2.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0902 -0.6591 -1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8189 1.7075 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4911 1.1187 -0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8725 0.3781 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -1.4619 -0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7965 0.4731 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -1.8592 1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 -0.7043 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6073 -2.5268 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0673 2.6118 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 13 1 0 0 0 0 2 27 1 0 0 0 0 3 14 1 0 0 0 0 3 28 1 0 0 0 0 4 14 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 M END $$$$