D00085 -OEChem-05072121453D 28 27 0 0 0 0 0 0 0999 V2000 -4.5170 -0.1564 0.0102 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 0.1563 0.0109 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0163 0.4873 -0.0093 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0163 -0.4872 -0.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -0.7979 1.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7668 -0.8337 -1.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7442 0.8017 1.2879 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7715 0.8298 -1.2464 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6222 0.4404 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 -0.4403 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -0.3894 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8981 0.3893 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4021 1.3818 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4021 -1.3818 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6099 1.1048 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6296 1.0989 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -1.0858 -0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 -1.1175 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -1.0381 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 -1.0141 0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9298 1.0158 0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 1.0363 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1315 1.9547 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1442 1.9294 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 1.1586 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4709 -1.1587 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1283 -1.9520 0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 -1.9322 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$