B42EWF -OEChem-04042104263D 50 52 0 1 0 0 0 0 0999 V2000 -2.0380 -1.0038 -0.1587 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9689 0.5434 -0.0118 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3136 0.1618 -2.0719 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2656 1.0734 0.7032 N 0 0 2 0 0 0 0 0 0 0 0 0 -4.2258 -0.4632 -0.7279 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8697 -1.4530 0.8105 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0668 0.4035 -0.8686 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6397 1.2759 0.0096 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0055 1.5924 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 1.6131 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9995 0.9991 2.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5687 1.4049 2.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9325 -0.1652 -0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 0.8605 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6147 -0.4167 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 1.9583 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6438 -1.8193 -1.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 0.5623 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -0.5799 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1308 1.7902 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 0.5241 -0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2011 -2.5394 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2475 1.1556 -2.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5131 -1.8654 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4427 -2.6775 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -2.9351 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2195 1.9270 -0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0027 1.2211 1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0282 2.6816 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 2.7039 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9262 1.2202 -1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2397 1.3287 3.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0811 -0.0947 2.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4295 2.4811 2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1158 0.8818 2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3721 2.9535 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7706 -2.3712 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3773 -1.7926 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2331 0.1074 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1519 1.3563 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6991 2.6529 -0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4599 -2.5901 0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0848 -2.0281 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4888 -3.5618 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2787 1.5895 -2.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4750 0.3924 -3.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0058 1.9408 -2.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5416 -2.0637 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7965 -3.4744 1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 -3.9357 0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 15 1 0 0 0 0 6 25 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 22 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 23 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 M CHG 2 2 -1 7 1 M END $$$$