BRM5E6 -OEChem-04022114013D 57 60 0 1 0 0 0 0 0999 V2000 -4.0465 0.8125 1.3300 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 2.8311 -0.1674 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3186 -3.2479 0.3850 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0433 2.2637 1.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1487 0.0863 2.5825 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 3.4586 -1.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6422 3.5591 1.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 0.3831 0.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4564 2.6550 0.1982 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6787 0.2445 0.4466 N 0 0 2 0 0 0 0 0 0 0 0 0 3.2479 -4.1001 -0.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5459 -4.3343 -0.6292 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 1.0457 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 -1.2147 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7961 1.4909 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1486 -1.6852 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4034 0.3000 0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 1.7420 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 1.6527 -1.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 2.3172 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0642 2.1552 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3221 2.0660 -1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3185 -1.5002 1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 -2.3067 -1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9882 -0.9511 0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8867 1.1472 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4362 1.3160 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0056 -1.9367 1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6694 -2.7431 -1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 -2.5583 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0565 -1.3550 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9551 0.7435 -1.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5398 -0.5077 -1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8627 -3.0072 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9058 1.5656 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8744 -2.3877 0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 1.9484 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 0.4747 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 -1.4703 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0669 -1.7724 0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 1.6439 1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 1.4592 -2.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4603 2.3411 1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9234 2.1788 -2.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 -1.0308 2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -2.4548 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6267 -1.6284 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4437 2.1237 -0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2623 0.7283 -0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0602 0.7991 0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 -1.7908 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0332 -3.2195 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5114 -2.3294 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3309 1.4026 -2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3712 -0.8223 -1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8607 -1.5315 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5345 0.5123 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 36 1 0 0 0 0 8 35 1 0 0 0 0 8 57 1 0 0 0 0 9 35 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 25 2 0 0 0 0 17 26 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 28 1 0 0 0 0 23 45 1 0 0 0 0 24 29 2 0 0 0 0 24 46 1 0 0 0 0 25 31 1 0 0 0 0 25 47 1 0 0 0 0 26 32 2 0 0 0 0 26 48 1 0 0 0 0 27 35 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 34 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 34 36 2 0 0 0 0 36 56 1 0 0 0 0 M END $$$$