D0S7IZ -OEChem-10101305032D 45 47 0 0 0 0 0 0 0999 V2000 3.0878 2.5189 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 -0.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0878 2.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0878 2.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -1.4811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 3.5189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -3.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -3.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -1.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -2.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 -0.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 1.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 1.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 -2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4442 -1.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3952 -1.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 -1.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 -3.5215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -0.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -0.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4621 -3.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -0.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -3.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -4.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -4.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 1.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 1.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0028 -2.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1357 0.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 3.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6247 3.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9556 -1.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7352 -2.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5868 -1.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9849 -1.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2036 -0.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 28 1 0 0 0 0 14 20 2 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 22 2 0 0 0 0 18 31 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$