B7I3DW -OEChem-04022115413D 38 40 0 0 0 0 0 0 0999 V2000 4.2403 1.8379 -1.1864 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6864 2.4802 0.8252 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1459 -0.5309 -1.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8873 0.7553 0.5763 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 -1.0758 -0.6271 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6572 -1.4887 0.3707 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5638 -2.3583 -0.2488 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8933 -3.7583 0.8509 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2213 0.2728 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 1.4015 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5231 0.0603 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 0.7698 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 1.3158 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4946 -0.5929 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 2.7804 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6354 0.8249 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6284 -0.9029 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1498 3.1502 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8529 0.6260 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 -1.1019 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9581 -0.3375 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3626 -2.5955 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 -1.5324 -2.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 0.6122 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7034 -0.6885 1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -0.2325 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 3.4939 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5663 1.5799 2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7674 -1.5027 -0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4205 4.1281 -1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7157 1.2249 0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8572 -1.8659 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5002 -0.7045 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 -4.6159 0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 -3.8320 1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5189 -1.2836 -2.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9808 -2.5281 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2029 -1.5514 -2.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 13 2 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 33 1 0 0 0 0 6 14 2 0 0 0 0 6 22 1 0 0 0 0 7 22 2 0 0 0 0 8 22 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$