LJS67D -OEChem-05032301363D 28 29 0 1 0 0 0 0 0999 V2000 -3.3844 -0.4216 1.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0067 1.3632 1.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2853 -0.1017 -0.3516 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.5186 1.1667 -0.4594 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 -1.3833 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4278 -1.2237 -0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2047 -0.1025 -0.2520 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1081 1.0894 -0.0346 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1052 -0.0830 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7332 -1.1008 0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 0.9534 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 -1.0823 0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 0.9719 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8738 -0.0460 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 -1.8109 0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4675 -2.0969 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -1.0280 -2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9531 -2.1775 -0.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2048 -0.0283 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 1.9567 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 1.3755 -1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1766 -1.9168 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 1.7479 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8551 -1.2712 1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6415 2.0752 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 -1.8732 1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 1.7763 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9517 -0.0317 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 24 1 0 0 0 0 2 8 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$