D0MM2K -OEChem-10121500472D 50 53 0 1 0 0 0 0 0999 V2000 10.7128 3.4187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7166 2.4226 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7166 2.4149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 -2.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8680 -2.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -2.1087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 1.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 0.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7321 -1.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7166 2.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.2987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -2.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 0.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -1.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3183 1.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1304 -0.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1242 1.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6024 -2.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 9 5 1 6 0 0 0 5 40 1 0 0 0 0 6 30 1 0 0 0 0 6 50 1 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 1 0 0 0 8 32 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 18 2 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 42 1 0 0 0 0 21 25 2 0 0 0 0 21 43 1 0 0 0 0 22 28 1 0 0 0 0 22 30 1 0 0 0 0 23 26 2 0 0 0 0 23 44 1 0 0 0 0 24 27 2 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$