BUOB52 -OEChem-04022103173D 31 32 0 0 0 0 0 0 0999 V2000 3.7730 2.4773 -0.2567 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 1.1182 -0.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2365 -2.1964 0.1992 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 -0.0589 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 -0.5025 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7743 -0.4304 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2359 0.1508 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0143 0.8717 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -1.2121 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 1.1805 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -1.1698 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -0.9726 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3079 1.3922 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1215 -0.6917 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3614 0.6105 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5351 0.8894 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0279 -1.4609 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 0.4360 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9634 -0.4314 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2276 1.5033 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6607 -2.2273 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 -1.9940 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 2.4059 0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9381 -1.3049 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2753 1.6814 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3617 -2.4891 0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4935 1.4954 -0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0252 -0.6582 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5147 0.9368 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5591 3.0473 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6063 2.0296 0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 30 1 0 0 0 0 2 15 1 0 0 0 0 2 31 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 29 1 0 0 0 0 5 18 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 9 14 2 0 0 0 0 9 21 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 11 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$