L8D1MB -OEChem-05022322073D 28 29 0 0 0 0 0 0 0999 V2000 -4.2967 0.9902 -0.7571 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3661 -1.0031 -0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7085 0.4162 0.3096 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 1.1563 0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9829 0.9849 0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7195 0.5858 0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1545 0.2022 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 1.0288 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3406 -0.3913 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 -1.1124 0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5492 0.4949 -1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5661 -0.9253 0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 -0.4822 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -1.4962 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2127 -0.4488 -0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3723 1.1727 1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 2.2081 0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 2.0349 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 0.9750 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6737 0.4254 -0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 1.7882 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8796 -0.7467 2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 -1.7784 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0093 0.8482 -2.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 -1.6866 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0738 -2.4899 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 -0.4598 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6362 -0.5826 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 12 2 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 M END $$$$