B3I9XY -OEChem-04022116083D 44 47 0 1 0 0 0 0 0999 V2000 4.2507 -2.3671 -0.1991 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1975 2.2820 0.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5107 0.3728 0.1061 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 2.2988 0.4519 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 0.2980 0.0454 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2659 0.0856 0.0149 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6816 -0.2472 0.1764 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 0.6879 0.3804 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9502 -0.3168 -0.3813 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7975 1.9952 0.0620 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2209 -1.5985 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -1.1481 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2604 1.5118 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5338 2.5887 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3516 1.0926 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4448 -0.6741 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -2.5571 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -1.3267 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7258 1.1124 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 0.1803 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4478 -0.0209 -1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4041 -0.4741 1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 -0.8874 -1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4874 -1.3407 1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0508 -1.5474 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 0.5271 1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 -0.1835 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5892 2.7376 0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 -1.8745 1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4538 -2.4552 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -1.2878 -1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9407 -1.6664 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 3.5253 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 1.9327 -2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 2.8129 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 -3.5265 -0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6043 -1.1603 0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7765 1.9118 -0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 1.5787 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0493 0.4861 -2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9715 -0.3223 2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9694 -1.0490 -2.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8918 -1.8552 1.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8940 -2.2224 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 15 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$