B3Z8AN -OEChem-04022104073D 41 43 0 1 0 0 0 0 0999 V2000 0.2613 -0.7419 -0.3885 S 0 0 1 0 0 0 0 0 0 0 0 0 0.3596 -2.1993 -0.1054 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3235 -1.2913 0.7172 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4433 0.9352 -0.1965 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 -0.1654 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5134 1.3314 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4761 -1.0124 0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3612 0.1302 0.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9749 2.1220 1.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0497 -1.8042 1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 1.9069 -1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0126 -1.0127 -1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -0.0898 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1799 3.4884 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1599 -2.5965 0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 3.2731 -1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1227 -1.8048 -1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9232 4.0639 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6964 -2.5967 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3872 -0.4838 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 -1.4551 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7385 0.7032 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8141 -0.7004 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0652 -0.2995 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1837 -0.2242 1.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 1.2024 0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1803 1.6859 2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6448 -1.8171 2.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9108 1.3229 -1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 -0.4184 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5397 4.1040 1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6064 -3.2133 1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2651 3.7211 -2.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5387 -1.8078 -2.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 5.1276 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5603 -3.2141 -0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 -2.4249 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 1.5309 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9026 -1.1194 -1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3759 0.2390 -0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2886 -1.3883 0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 3 13 1 0 0 0 0 3 21 2 0 0 0 0 4 13 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 10 15 1 0 0 0 0 10 28 1 0 0 0 0 11 16 2 0 0 0 0 11 29 1 0 0 0 0 12 17 2 0 0 0 0 12 30 1 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 19 2 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$