B2QAS9 -OEChem-04042103573D 27 26 0 1 0 0 0 0 0999 V2000 1.2016 2.1904 0.7249 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0916 1.5413 -1.4524 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -0.4022 -1.5844 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -0.7623 0.4695 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8034 0.2571 1.7486 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -1.4615 -0.0754 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8764 -0.1339 0.2926 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5063 -0.6688 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 -1.0538 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7203 0.1672 0.2904 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3917 -0.5617 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 1.2681 -0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0367 -0.3798 -0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -0.0822 1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6247 -1.6947 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 -0.7553 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 -1.1205 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8455 -2.0672 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 1.1881 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 -0.5112 1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6101 0.4407 -0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 0.8462 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9776 0.7277 2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2855 -2.3960 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3411 -1.1531 0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3215 3.0950 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9298 -0.7565 -1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 26 1 0 0 0 0 2 12 2 0 0 0 0 3 13 1 0 0 0 0 3 27 1 0 0 0 0 4 13 2 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M END $$$$