B8EI4M -OEChem-04012115113D 48 50 0 0 0 0 0 0 0999 V2000 -7.5795 1.1521 -1.2112 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.3098 2.0499 0.7446 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.8546 -0.0486 0.5807 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -3.3137 -0.0492 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4643 -2.5969 -0.0173 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -1.7852 -0.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8873 1.7275 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7341 2.4323 0.0397 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 1.6384 0.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3257 -0.8644 -0.0274 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 0.4772 -0.0283 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1483 2.4304 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 0.1865 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7249 0.3679 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7898 1.4853 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3336 3.2984 -1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3028 3.2658 1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6807 -1.0145 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 0.4155 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 -2.3409 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9265 -0.2015 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -0.5887 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6195 0.5255 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3226 1.0339 -0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8769 -1.0733 0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6692 1.3975 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2234 -0.7099 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -4.6769 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0594 0.9138 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 -5.5833 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9379 1.6681 0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 -0.3042 0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3291 3.7547 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2293 2.6990 -2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5935 4.1050 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 2.6433 2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2978 3.7211 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5619 4.0716 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 1.4281 0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 1.7288 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5886 -2.0382 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9701 2.3584 -0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9476 -1.4028 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 -4.8530 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3094 -4.8753 0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 -5.4032 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8873 -5.3812 -0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 -6.6354 -0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 20 1 0 0 0 0 4 28 1 0 0 0 0 5 20 2 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 15 2 0 0 0 0 9 15 1 0 0 0 0 9 19 2 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 11 19 1 0 0 0 0 11 22 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$