B8P0OD -OEChem-04012113433D 32 33 0 0 0 0 0 0 0999 V2000 -3.8024 1.1999 0.0276 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 0.7027 0.3497 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3387 -0.3620 -0.1603 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -3.1902 -0.1232 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3073 1.9628 -1.1041 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4982 1.6062 1.3877 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5107 1.1212 -0.1146 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5362 1.4462 0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5891 0.3123 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -1.6081 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -0.2591 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0018 2.0748 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 -0.9522 0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0239 -2.0250 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0243 0.1621 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4007 -2.5442 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0407 -0.7698 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9434 3.2422 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 -2.1197 -0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0531 2.2020 1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 1.0936 1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5153 1.3283 -1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 2.4304 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0592 -1.2232 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2067 1.2216 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1775 -3.5988 -0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8355 2.9163 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4502 4.0253 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 3.6801 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5198 -2.8468 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0134 0.6431 0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8841 0.8843 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 17 1 0 0 0 0 4 14 2 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 12 18 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 19 2 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END $$$$