BR1D6T -OEChem-04022110443D 45 46 0 1 0 0 0 0 0999 V2000 -3.2402 1.9781 -1.4702 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 1.9088 1.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 2.7025 -1.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7432 3.5642 -0.0592 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2544 1.5642 -0.0305 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 -1.0064 -0.8019 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6231 0.0517 0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6299 -0.7456 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 2.1985 0.6238 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6764 1.1835 1.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 0.7317 -0.3476 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2751 0.0869 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 -1.2455 0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 1.4715 0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 -1.9101 -0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -1.8702 -1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7255 -1.3284 0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3939 0.2032 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7716 2.8903 -0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -1.9519 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4695 -3.2513 -0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5147 -3.2941 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 -3.9317 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1663 0.7977 1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -0.6269 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -0.0788 -1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 2.9778 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4914 1.6964 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 0.7418 2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9627 -0.0056 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 1.1619 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2914 -1.4764 -1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7121 -2.4821 -1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3826 -2.5285 -0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4724 -1.8652 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2443 -0.5338 1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3087 -2.0284 1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 1.0306 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3687 -1.2082 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0145 -1.4708 1.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 -3.7485 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1007 2.3136 -2.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3229 -3.8434 1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2179 -4.9745 -0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0384 3.1619 -2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 42 1 0 0 0 0 2 14 2 0 0 0 0 3 19 1 0 0 0 0 3 45 1 0 0 0 0 4 19 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 31 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 15 21 2 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 20 22 1 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 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$