BR40CJ -OEChem-04022105293D 52 55 0 1 0 0 0 0 0999 V2000 -0.6477 -0.2503 -1.1884 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4039 1.5977 2.2636 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 2.1734 -1.4121 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2481 2.4641 0.8531 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 2.3588 -0.5924 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8589 3.4237 0.6707 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -0.2706 1.2797 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 2.4629 -0.0730 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7158 0.1370 0.2501 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0708 -0.1489 1.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3012 0.4888 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 -1.4734 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0827 -0.5046 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 0.1433 1.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 -1.6073 -0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6319 0.3347 0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2271 0.2719 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -2.5560 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -1.8952 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 -2.8149 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5207 1.4577 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 -3.7528 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4718 -0.3422 -0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0929 -3.8849 -0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.6388 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4277 -2.5092 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 -1.7328 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 1.7257 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 1.6071 -1.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4399 -0.4895 -0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3287 0.6336 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 3.5908 -1.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 1.2260 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7005 0.2730 2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0103 -1.2178 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 1.0735 2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 -0.5852 2.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8229 -2.5314 1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3137 -2.5261 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4389 -2.9317 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -4.5841 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3708 0.2522 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 -4.8136 -1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 -1.5044 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5064 -3.5919 0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5412 -2.2110 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 2.4771 -2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1926 -1.2434 -1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9905 0.7506 -2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7205 3.7904 -2.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7954 4.0725 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0123 3.9861 -1.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 11 2 0 0 0 0 3 28 1 0 0 0 0 3 32 1 0 0 0 0 4 28 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 20 2 0 0 0 0 16 21 1 0 0 0 0 16 25 2 0 0 0 0 17 23 2 0 0 0 0 17 28 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 26 1 0 0 0 0 19 39 1 0 0 0 0 20 24 1 0 0 0 0 20 40 1 0 0 0 0 21 29 2 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 27 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 30 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 29 31 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$