B81AOR -OEChem-04012118252D 42 44 0 0 0 0 0 0 0999 V2000 4.6783 -2.0359 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -2.9062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.2684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.2312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 2.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -1.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -2.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 1.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 2.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 0.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 0.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 3.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 3.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 2.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 2.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 2.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2133 1.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1581 -0.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 -1.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 -2.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 9 2 0 0 0 0 4 20 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$