B3R0JU -OEChem-04022105523D 33 35 0 0 0 0 0 0 0999 V2000 0.6161 3.0189 0.9775 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 1.6745 -1.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2161 0.3934 0.8331 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0158 -1.1836 -0.4746 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1964 -1.8442 0.6344 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5556 2.1750 -0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8508 -3.4721 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 -0.0778 1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 -0.4898 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2835 -0.0553 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0795 -0.4356 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 1.7270 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5469 1.3102 -0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3216 -2.2330 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 0.5347 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1706 -1.7304 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0356 0.2035 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2047 -2.0617 -0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 -1.0947 -1.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9997 3.6409 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7195 -0.9526 2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 0.6579 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9025 -1.2388 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 1.5380 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4576 -2.4962 0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7675 0.9537 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 -3.0732 -1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9438 -1.3534 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 -4.2843 0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7362 -3.6530 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1279 4.1289 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 2.8300 -1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 4.3772 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 5 9 1 0 0 0 0 5 14 2 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$