BU1IO2 -OEChem-04012116222D 71 74 0 0 0 0 0 0 0999 V2000 4.5981 -2.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -3.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 2.9396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.2942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.3152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -0.5105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0744 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 3.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 4.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7387 4.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7172 4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 -3.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0949 2.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6882 3.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 3.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0454 3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9319 3.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7676 4.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7181 5.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1249 4.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2435 5.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4859 5.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2383 2.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4026 1.5012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8356 1.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 0.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5360 -0.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 -2.2425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3460 -2.2425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9160 -3.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3086 -3.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6183 -3.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6890 -5.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5360 -5.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7629 -4.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 16 2 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 6 51 1 0 0 0 0 7 22 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 18 21 2 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 52 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 29 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 30 1 0 0 0 0 26 57 1 0 0 0 0 27 31 2 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 32 2 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 M END $$$$