BB2QO3 -OEChem-04022109502D 53 54 0 1 0 0 0 0 0999 V2000 5.1680 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 2.4979 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 9.4985 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0270 6.8724 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4756 9.2870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9313 9.0918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 10.5918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0755 7.1798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4891 6.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0783 5.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0288 5.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7648 8.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 8.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 7.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5294 9.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0592 10.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5294 10.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 10.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 9.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 11.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 9.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 10.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 9.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1993 9.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 8.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1166 7.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 8.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5131 7.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0276 6.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0290 5.9541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5419 5.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3314 4.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1587 5.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6453 5.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3786 8.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7854 8.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1725 8.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7657 7.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2003 6.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3360 7.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4698 7.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 10.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 11.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 8.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 11.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 10.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 10.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 10.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5555 7.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8644 7.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 2.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 52 1 0 0 0 0 2 53 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 21 1 0 0 0 0 6 23 2 0 0 0 0 7 23 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 1 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$