B3B1AO -OEChem-04022111193D 22 21 0 1 0 0 0 0 0999 V2000 -3.1665 -2.1942 -0.3273 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 2.6371 -0.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0055 -2.2117 -0.4963 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6768 2.6914 0.4641 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 0.5093 1.3657 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 -2.0992 0.9296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 0.1071 -0.4616 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 0.5558 0.1296 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7762 -0.1799 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7511 2.0574 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8724 0.1217 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9475 -1.5793 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0145 -0.4156 -0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 0.3756 1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 0.3602 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 -0.2478 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6449 -0.1783 -1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8485 -0.2282 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9391 0.0902 -0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0935 3.6053 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1238 -3.1190 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2169 -2.3924 -1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 12 1 0 0 0 0 3 21 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 11 13 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 M END $$$$