B8M0AW -OEChem-04022104083D 44 46 0 1 0 0 0 0 0999 V2000 -0.0117 -1.0860 -0.3581 S 0 0 1 0 0 0 0 0 0 0 0 0 3.0038 -2.7283 0.7761 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2601 -2.5399 -0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8072 -1.2900 -0.2023 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5605 -2.5296 0.1904 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -0.2129 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2238 -0.5559 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7525 -0.7436 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 1.3044 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8148 0.9482 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5883 -1.0847 0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 -0.4716 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0844 1.1405 -1.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8864 1.7139 0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5232 -1.4345 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 2.1215 1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2348 -0.5491 -1.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 1.8722 -0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7764 -1.9309 0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 3.5067 1.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4878 -1.0455 -1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7387 3.2572 -0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2586 -1.7364 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 4.0744 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -0.4534 1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9295 -0.9165 1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 0.5346 0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8646 1.4577 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3061 0.6509 -2.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0935 2.2040 -2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0491 0.7090 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8925 2.7752 0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6855 1.6371 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 1.3087 0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1634 -1.5960 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9095 1.6921 2.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 -0.0281 -1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 1.2713 -1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3765 -2.4692 1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6921 4.1430 2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8622 -0.8971 -2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 3.6999 -1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2339 -2.1236 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 5.1529 0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 15 2 0 0 0 0 8 17 1 0 0 0 0 9 16 2 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$