B1V8PB -OEChem-04022113453D 30 31 0 0 0 0 0 0 0999 V2000 0.4183 1.0682 -0.9813 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3615 0.2576 -2.7965 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0209 2.6091 1.6591 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9513 3.3430 -0.1889 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4685 -2.7873 -0.0536 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1878 -1.0097 1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4647 -1.3492 2.0467 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 2.4050 0.5471 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3149 -1.6055 0.3390 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7592 0.4228 -0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 1.0654 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5868 0.5196 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9529 -0.8916 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9219 0.3934 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 -0.9211 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 0.1127 -1.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 -1.5637 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 0.3655 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9706 -0.6026 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 -0.4483 -0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 -0.1957 1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2134 -1.1874 0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 -1.4046 -1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6769 0.9135 1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 -2.5862 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 0.6822 1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5131 -0.7651 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -0.3048 2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9459 -1.4904 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 -0.0791 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 2 30 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 25 1 0 0 0 0 18 21 2 0 0 0 0 18 26 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 M CHG 4 3 -1 5 -1 8 1 9 1 M END $$$$