B89WGF -OEChem-04022113023D 32 33 0 1 0 0 0 0 0999 V2000 4.2129 -0.7752 1.2305 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 0.5693 -1.7984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1627 0.0769 -0.1974 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 2.6853 0.9153 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 -0.8213 -1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3242 1.6160 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 1.7232 -0.0037 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6446 0.1251 1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 0.7086 -0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -0.8471 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8848 0.3854 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 0.1498 -0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4384 -0.6080 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6473 -1.0790 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0962 -1.8369 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2007 -2.0723 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8592 -0.5102 -2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4665 -1.8142 -0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 1.3181 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 2.6019 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2701 2.1263 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7893 1.1658 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 -0.3565 1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8986 -1.7415 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9088 0.0393 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 2.8634 0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3035 3.5802 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3477 0.9159 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -0.4644 1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5076 -1.2622 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7527 -2.6086 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7138 -3.0286 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 M END $$$$