B72XYZ -OEChem-04022105223D 29 30 0 0 0 0 0 0 0999 V2000 1.5037 -2.1373 0.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6406 -0.9620 1.2727 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1634 -1.7402 -0.3602 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 0.8337 -0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2317 -0.4589 -0.4992 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 1.1014 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 0.2282 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 0.0455 0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6663 0.5545 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 -0.8681 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 1.5232 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 -0.6694 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 1.7219 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 0.6256 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0216 0.0943 -1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5923 0.5085 0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 -0.3983 -1.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8502 -0.0027 0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 1.5827 -0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3227 1.8788 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 2.3977 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3947 2.7360 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3235 0.1134 -2.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 0.8574 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6313 -0.7698 -2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6084 -0.0607 1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 -2.7619 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0571 -1.4097 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 1.7909 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 27 1 0 0 0 0 2 8 2 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 17 2 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 M END $$$$