B78EMP -OEChem-04022103453D 36 37 0 0 0 0 0 0 0999 V2000 -2.0412 -1.6872 0.6434 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6114 -0.8271 -0.9534 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4518 -1.1303 -0.1896 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1297 0.7221 0.4545 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0673 2.9257 0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9151 -0.5183 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6964 -1.4018 0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2479 -1.2486 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 -0.6348 0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4564 -0.4196 0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 -0.4445 -1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0683 0.3723 1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0804 0.3225 -1.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1863 1.1392 0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3025 -0.5472 0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6924 1.1142 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5532 -0.3776 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1881 1.5629 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3591 1.0781 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 -0.1529 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 0.3693 0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 -1.7467 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7354 -2.2898 -0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 -2.1675 -0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3311 -1.5819 1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6271 0.2426 0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6478 -0.2916 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 -1.0559 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 0.4015 2.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 0.3035 -2.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 1.7562 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5628 1.7116 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 -2.1397 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1941 1.7246 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 3.3002 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8371 3.5416 0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 17 2 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 3 33 1 0 0 0 0 4 15 2 0 0 0 0 4 18 1 0 0 0 0 5 18 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 19 34 1 0 0 0 0 M END $$$$