B1UMR9 -OEChem-04012112022D 54 55 0 1 0 0 0 0 0999 V2000 9.2942 -5.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -4.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -4.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -3.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -2.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -2.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -2.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 3.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 4.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 20 2 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 25 2 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 41 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 25 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END $$$$