L89SAB -OEChem-05022322453D 28 29 0 1 0 0 0 0 0999 V2000 -2.9328 -1.2859 0.3426 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7212 1.8692 -0.2424 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 -0.8554 -0.2436 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4017 -2.6650 -0.5296 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 0.5338 0.0374 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7775 0.6835 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4821 1.4545 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5912 -0.2042 0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6367 0.8974 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2649 -1.3154 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -0.4758 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0807 -0.0748 0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9748 1.2638 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 0.1743 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0775 0.7561 1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 0.4258 -1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0762 1.7290 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 2.3776 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 1.0144 -1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3939 0.0709 1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 -1.2573 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -0.3779 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6497 -0.7133 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4181 0.9572 0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3296 2.2839 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8325 0.1715 0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3114 -3.1129 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4112 -3.2472 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 5 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$