B3B8QU -OEChem-04012115383D 31 33 0 0 0 0 0 0 0999 V2000 5.1162 0.2500 0.1302 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 1.7035 0.2608 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5725 1.5825 -0.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -0.3008 1.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -0.9897 0.4548 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -0.7676 -0.1013 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7430 0.7206 0.1307 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -0.3111 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6726 -0.1133 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 0.5659 0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 0.7864 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3839 0.1869 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5378 -0.7095 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2771 -1.5891 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.0830 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6183 1.2439 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 -1.8013 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 -1.1094 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6829 -0.8673 -1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4143 0.4364 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2395 1.7919 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6413 -2.4559 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6431 1.9034 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 2.1723 -0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 -2.8027 -0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1723 -2.0631 0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7749 -0.8607 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3158 -1.8714 -0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3137 -0.5215 -2.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4481 -0.0018 0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0823 1.6662 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 5 12 2 0 0 0 0 5 18 1 0 0 0 0 6 13 1 0 0 0 0 6 20 2 0 0 0 0 7 20 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$