B1UJS2 -OEChem-04022107232D 56 59 0 0 0 0 0 0 0999 V2000 10.6603 -0.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0935 2.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4507 0.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -2.2060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8044 1.5107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5152 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7882 -1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4937 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7829 1.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4946 0.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9014 0.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4082 -1.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3972 -2.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5143 -0.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1075 0.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -2.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3903 1.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7002 2.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 51 1 0 0 0 0 4 24 1 0 0 0 0 4 27 1 0 0 0 0 5 20 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 36 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 12 35 1 0 0 0 0 13 16 2 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 M END $$$$