BU1QT0 -OEChem-04022114183D 22 23 0 0 0 0 0 0 0999 V2000 1.5040 -1.4258 0.2532 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7611 2.2351 -0.3969 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4843 -0.0664 0.0115 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 -0.1315 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9213 -0.4544 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2044 1.1121 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 0.8349 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 0.9702 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5561 -1.2982 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2789 -1.0563 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0494 0.9053 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 -1.3633 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6961 -0.2616 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 1.6156 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 1.8811 0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0131 -2.1709 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -1.5157 1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0643 -0.3040 0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4257 -1.8249 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6312 1.7588 0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4536 -2.2701 -0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7809 -0.3129 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 M END $$$$