D02DMQ -OEChem-10121500172D 53 56 0 1 0 0 0 0 0999 V2000 4.5981 0.1970 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9056 0.4881 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8744 -1.6077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 1.1585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5719 2.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5662 1.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7725 0.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7993 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 0.5599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7019 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9826 2.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1830 2.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5673 2.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0237 0.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3625 1.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 1.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5713 1.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1828 -0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7335 -1.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4158 -0.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -0.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 -2.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$