BPE72K -OEChem-04022113043D 46 47 0 1 0 0 0 0 0999 V2000 -0.8455 -0.4918 1.6231 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -2.8417 0.6217 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2733 -0.4242 1.3357 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4263 -0.9102 -0.7996 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0755 1.8956 0.4434 N 0 0 2 0 0 0 0 0 0 0 0 0 3.8815 -0.2976 0.1504 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8501 2.4498 -0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0611 0.8166 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 3.1880 -0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 -0.4619 -0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 2.2659 -0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5148 2.9432 1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3807 -1.0609 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0086 -1.0473 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0941 2.1070 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 1.5745 -1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8409 -2.2453 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 -2.2319 -1.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 -2.8309 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 1.2566 0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 0.7242 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7878 0.5652 -0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -0.8930 2.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 -4.0500 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 1.6576 -1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6648 3.1228 -1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9384 1.1186 -0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4522 0.5946 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 4.0519 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3901 3.6099 -1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7706 3.7386 1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6495 2.5314 2.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4636 3.3963 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8522 -0.5927 -1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 2.6446 1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9224 1.6885 -2.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -2.6868 -2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0184 -3.7489 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4904 1.1581 1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7972 0.2013 -2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 -0.1754 3.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0107 -1.8825 3.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 -0.9129 2.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5469 -4.3845 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -3.8838 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0449 -4.8457 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 23 1 0 0 0 0 2 17 1 0 0 0 0 2 24 1 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 16 21 2 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M CHG 2 3 -1 6 1 M END $$$$