B3AUY6 -OEChem-04022106153D 28 29 0 1 0 0 0 0 0999 V2000 -4.0788 -0.3733 -0.2390 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4234 -0.5040 0.3444 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8716 1.9310 -0.1825 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3676 0.6231 -1.2532 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6238 -1.7130 -0.3469 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3683 -0.4795 -0.0439 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5203 0.2752 1.2876 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2136 0.6979 -0.1103 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6404 0.6946 0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5602 1.9104 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 -0.4732 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 0.7054 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4623 -1.6865 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8571 0.6655 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8416 -1.7235 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5372 -0.5501 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2257 0.6733 -1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 1.6101 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6329 0.6756 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 2.8388 0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 1.9106 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0288 -1.3545 0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 -2.6063 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 1.5759 -0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3743 -2.6680 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6105 -0.5824 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2825 1.2570 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4287 -0.3384 2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 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 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$