B5XOZ2 -OEChem-04022105282D 43 45 0 1 0 0 0 0 0999 V2000 7.8104 1.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -2.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 3.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4088 0.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4339 -1.4787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -0.5777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1906 -0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -0.5777 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4339 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1906 -1.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6313 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0846 0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4088 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0846 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9907 -0.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9907 -1.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 2.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6701 -0.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 1.2799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9677 2.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 1.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5468 -2.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 -0.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 -2.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5264 0.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5264 -1.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3058 2.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -2.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 -2.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -0.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 19 2 0 0 0 0 4 18 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 18 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$