B4QA9O -OEChem-04022106543D 27 28 0 0 0 0 0 0 0999 V2000 -3.7388 2.6232 -1.2275 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4666 0.8550 1.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4682 -0.0356 -1.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6683 -1.7809 1.1794 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 0.7374 -0.4686 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 0.2765 0.1082 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.9107 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8981 -0.4625 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8096 -1.2197 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -0.1678 0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -1.3573 -1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6844 0.1285 0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2977 -0.7890 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1869 -0.3181 -0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3759 -1.0610 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2372 1.2088 -0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4429 2.2730 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 -2.1606 0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 0.1837 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4427 -1.9376 -1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 1.2050 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -1.4152 -2.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0462 0.3646 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4347 2.6607 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7847 2.5595 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1205 2.7083 1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6398 -0.4237 -1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 14 1 0 0 0 0 3 27 1 0 0 0 0 4 13 2 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 21 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 22 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$