BE9V5K -OEChem-04042106053D 20 20 0 0 0 0 0 0 0999 V2000 -3.7844 -0.0140 0.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 -0.1303 1.4319 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9468 0.0603 -0.0985 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2331 0.0235 -0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6763 0.0368 -0.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4449 -1.1895 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 1.2241 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -1.2018 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7889 1.2118 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -0.0013 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.0195 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 -0.8128 -1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9038 0.9398 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 -2.1316 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0789 2.1756 -0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3117 -2.1535 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 2.1501 0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 0.1487 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 0.0328 0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0914 -0.9363 0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 20 1 0 0 0 0 2 11 2 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 M END $$$$