B8ZCN0 -OEChem-04022102573D 40 41 0 0 0 0 0 0 0999 V2000 1.3479 1.8539 1.1401 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2374 0.9179 -1.9298 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 0.6822 0.2238 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0857 2.9632 1.2089 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8279 -0.9323 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 0.9862 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 0.1163 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4479 0.5266 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5648 0.4742 0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6371 -1.7945 0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 0.8680 -0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 1.9758 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8733 -0.1377 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2894 -1.0398 -1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0801 -3.2290 0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8037 0.2804 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2057 -1.1462 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0666 -0.3101 -0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4686 -1.7366 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -1.3186 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2271 -1.3447 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8769 -0.9758 -0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0484 0.9543 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6485 1.1066 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2147 -1.3760 1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5841 -1.7980 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8248 0.6388 1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3976 -0.7044 -2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 -1.8016 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 -1.5327 -1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9358 -3.8281 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 -3.2722 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5002 -3.6874 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5603 1.0645 -1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4918 -1.4848 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7169 3.6515 1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 3.0602 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 0.0151 -1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 -2.5222 1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3822 -1.7785 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 27 1 0 0 0 0 4 12 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$