BBW3U2 -OEChem-04022106483D 27 27 0 1 0 0 0 0 0999 V2000 -2.5033 1.4909 -0.0684 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6956 -0.8950 0.0661 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 1.3560 -0.1915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -0.6668 0.1513 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4013 -0.7273 -1.2019 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 -0.3825 0.1601 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2106 -0.4365 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6267 0.2762 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0341 0.5542 0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 0.8607 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6771 -1.5071 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5401 0.0169 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 1.0876 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 -1.2805 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9742 0.2531 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9414 -1.2907 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 -1.6424 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1679 1.4639 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0087 0.0618 0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7213 0.8650 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3456 1.7393 -0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3097 -2.5228 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0137 2.1054 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7077 -2.1427 0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3236 -1.1611 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7643 -1.4289 -1.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6611 -0.7248 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 15 1 0 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$