BRU0D6 -OEChem-04022115493D 86 90 0 1 0 0 0 0 0999 V2000 -6.1075 0.4179 0.1804 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4432 1.9138 -1.5477 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 -1.1178 -0.0195 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8223 -0.9244 -0.9559 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3052 0.2364 0.0447 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7077 0.3419 -0.5588 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7790 0.1919 0.6601 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8541 0.1031 0.4830 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6451 -1.2412 0.2462 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5578 -0.9657 -0.0703 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6685 -2.2339 -1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4337 -2.2279 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 1.3374 0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 1.5740 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -1.9866 -1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8138 -2.3075 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0068 1.1726 0.5069 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1083 -1.0337 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 1.5330 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9079 -1.5828 1.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 -0.6632 -2.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1298 -0.8498 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 0.5957 -0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7657 0.0592 2.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7145 0.3655 -0.1254 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0109 1.5204 0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5765 -2.1524 1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7651 -2.0445 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4816 -1.5164 1.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7465 2.5963 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8587 2.9517 -1.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4302 3.5088 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8554 1.2365 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2888 1.1916 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4891 0.5231 -0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2531 0.6016 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4055 0.1081 1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -0.7195 -1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4136 -2.8218 -1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 -2.9114 -0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6182 -2.0656 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 -3.2095 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 1.1131 1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 2.2863 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4685 1.9805 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 2.3881 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4341 -1.4282 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 -2.9511 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3597 -3.1075 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7284 -2.6212 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4146 1.1529 1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 2.3611 0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3481 1.7761 -0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 -2.5969 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 -0.9289 1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0693 -1.6398 2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3094 -0.5248 -3.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8797 -1.5050 -2.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 0.2308 -2.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6448 -1.4807 -0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6977 -0.9220 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8267 0.6262 -1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0589 1.0820 -0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 0.5251 2.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6135 0.5591 2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8037 -0.9772 2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5788 0.5171 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2306 1.4970 1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4321 2.4743 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1768 -3.0578 1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 -1.6385 2.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 -2.4660 1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -1.8438 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4949 -3.0788 -0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8592 -1.9916 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9589 -2.4415 1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2697 -0.7749 2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5555 -1.7278 1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4954 3.9710 -1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2722 2.3061 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 2.9381 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2429 4.5442 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3482 3.2396 2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6714 0.1719 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8841 1.8455 -0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3741 1.5453 0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 33 1 0 0 0 0 2 33 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 36 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 37 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 9 27 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 23 1 0 0 0 0 17 30 1 0 0 0 0 17 51 1 0 0 0 0 18 25 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 26 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 26 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 34 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 M END $$$$