B5QIU7 -OEChem-04022103143D 38 38 0 0 0 0 0 0 0999 V2000 -5.2179 -2.8488 -0.3524 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7314 2.5228 0.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 1.2984 0.3152 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9907 -1.6816 -1.0245 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9198 -1.8767 1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 -1.5000 0.0758 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6588 -1.2411 -0.0941 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 -2.1287 -0.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1717 -0.3406 -0.0954 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8272 1.1688 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.9796 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0735 0.5427 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 -0.8444 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 0.4077 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9913 -1.6056 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 3.2208 -0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4848 -1.7835 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 4.6139 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4394 0.3635 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9931 -1.7088 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 1.8269 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6549 2.5741 1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3023 0.9071 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0554 -2.6878 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 2.7002 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 3.2818 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3487 -2.8773 -0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5428 5.1549 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1904 5.1826 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 4.5671 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 0.7382 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9632 0.1655 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0441 -0.0311 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4441 -3.1138 -0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3222 0.2123 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5892 2.3115 -0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4404 3.6364 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2588 2.1445 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 31 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 17 2 0 0 0 0 8 20 1 0 0 0 0 8 34 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$