B81YTQ -OEChem-04022118233D 36 37 0 0 0 0 0 0 0999 V2000 -3.1769 -1.9964 -1.1925 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2979 -2.3091 1.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9485 3.1476 -1.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 0.2754 -1.4215 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2758 0.7126 0.6378 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -1.1899 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 0.0776 0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -1.8506 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3659 -1.9854 -1.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -1.2402 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -0.5056 1.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 -0.6065 -0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 0.1281 1.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5205 -0.4048 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0955 0.7655 -1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2135 -0.3353 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3633 2.0055 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4811 0.9047 1.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0561 2.0751 0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3154 0.7720 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4923 1.5598 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0287 -2.9311 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0442 -1.1690 -1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 -1.7792 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.4509 2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 -0.6925 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 0.6588 2.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4326 1.1896 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5619 0.7226 -2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5517 -1.2369 1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0202 0.9589 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2675 3.0380 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2949 1.5597 -0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1883 2.5919 0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8643 1.1069 1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 2.9142 -1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 8 2 0 0 0 0 3 17 1 0 0 0 0 3 36 1 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$