BR4WS1 -OEChem-04042105493D 34 36 0 0 0 0 0 0 0999 V2000 -3.4593 0.9210 0.1384 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 3.1594 0.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5857 0.0879 -1.7597 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5563 -0.7119 -2.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 0.2404 -0.6554 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 2.8950 -0.4637 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 0.5020 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 -0.6443 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9706 -0.3919 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1976 1.7591 -0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6299 0.0888 0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2366 -1.9920 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9543 -0.1768 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9082 -1.4115 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6357 2.0193 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3376 0.2021 1.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1629 -3.0266 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4982 -2.7364 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -0.3250 0.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 0.0538 2.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6519 -0.2098 2.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3071 -0.3027 -1.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7848 -0.1887 -1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 -2.2665 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9487 -1.1766 0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3315 0.4060 2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 -4.0606 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2139 -3.5400 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9862 -0.5441 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1033 0.1426 3.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 2.8194 -0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8804 3.8056 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4326 -0.3284 2.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8152 0.0004 -2.7094 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 15 2 0 0 0 0 3 22 1 0 0 0 0 3 34 1 0 0 0 0 4 22 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 10 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 13 19 2 0 0 0 0 13 22 1 0 0 0 0 14 18 1 0 0 0 0 14 25 1 0 0 0 0 16 20 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 33 1 0 0 0 0 M END $$$$