BXE8K4 -OEChem-04022107063D 43 45 0 1 0 0 0 0 0999 V2000 -5.9755 -1.5761 -0.4487 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.7827 0.3551 0.5313 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 -1.4729 1.6345 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5422 0.8074 -0.4450 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4925 -3.6707 0.3035 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1222 -1.9848 -0.1278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 3.8342 -0.3578 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 1.7486 -0.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 -1.7495 -0.5215 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7974 2.7332 1.9802 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 2.3144 -1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0794 1.6952 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 0.2833 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 0.2251 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7091 -0.4203 -0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 1.9920 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9881 1.5498 1.1308 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4065 2.6168 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4019 0.9853 1.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -0.7997 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -0.2771 0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1845 -0.8705 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7922 -0.2869 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -1.4054 0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2393 -2.5734 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -1.4548 -0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -2.5981 -0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 3.4022 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 2.1053 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0067 2.0747 0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0571 1.9861 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2618 0.1110 -2.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 -0.0996 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9266 1.1781 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 2.7516 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 0.8186 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1481 1.7601 1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.7613 2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9492 2.4810 2.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 3.4363 1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 -1.4030 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 -1.4736 -1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 -3.5073 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 7 18 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 15 2 0 0 0 0 10 17 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$