BB5MR4 -OEChem-04042106363D 43 45 0 1 0 0 0 0 0999 V2000 2.3790 2.3963 0.7081 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 0.5891 2.0177 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7381 -0.4352 -0.1671 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3249 -2.4420 0.6717 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8692 -0.5595 0.0605 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 0.3464 -0.3962 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9348 0.9983 -1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6677 -1.1391 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3857 0.4646 -1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 0.8771 -0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -1.3647 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4678 -0.1146 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 1.0890 0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 -0.9394 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6734 -2.1832 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8369 -0.0222 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2144 -0.2551 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2244 -0.8178 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4237 0.9691 0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4438 -0.1562 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6429 1.6308 0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 1.0682 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 0.4982 -2.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 2.0556 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -1.5547 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9193 -1.7353 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 -0.0685 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 1.5100 -1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 1.0856 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 1.5977 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5144 0.4182 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 -1.1691 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3694 -2.9090 1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8369 -0.5803 -1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 1.0219 -1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 2.8966 1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7675 -0.5367 -0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6759 -1.5405 0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 -1.7701 -1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6582 1.4186 1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2302 -0.5940 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8075 2.5822 1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6025 1.5831 -0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 36 1 0 0 0 0 2 13 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 11 2 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$