B27IWE -OEChem-04012114153D 39 41 0 1 0 0 0 0 0999 V2000 2.0676 -0.9990 -0.1237 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3483 2.4534 0.2167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 2.6137 -0.5557 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3102 -0.0654 1.3694 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1165 -3.4447 -0.7919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0322 0.1318 0.0358 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1812 0.0813 1.3566 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 0.0154 1.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6127 1.4097 -0.4160 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1432 1.4585 0.0121 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2480 0.0673 -0.0523 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4076 -1.0793 -0.6230 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4015 0.2106 -0.4934 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9548 -2.4479 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1244 0.1007 -0.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 0.0263 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4967 -0.0317 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 0.5821 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3292 -0.7029 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4338 0.5254 -1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7054 -0.7597 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2576 -0.1456 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6863 1.5780 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 1.5581 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2771 0.0166 -0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 0.2371 -1.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3614 -1.0150 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 -2.5873 0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9727 -2.5864 -0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 2.3924 -0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5862 2.5426 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8151 0.6931 1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 0.1276 -1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -4.3067 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4459 1.1223 -1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9213 -1.1921 1.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8645 1.0055 -2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3471 -1.2827 1.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3291 -0.1896 -0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 2 30 1 0 0 0 0 3 10 1 0 0 0 0 3 31 1 0 0 0 0 4 11 1 0 0 0 0 4 32 1 0 0 0 0 5 14 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 26 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$