B1DZU9 -OEChem-04012114272D 50 53 0 1 0 0 0 0 0999 V2000 4.4026 1.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 0.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 2.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 3.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.4585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.0679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.2632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.4921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9405 0.7994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.7994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 2.1101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6844 3.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -3.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 0.0529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4934 1.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 2.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 3.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 3.6813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 0.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6886 3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 3.8613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -2.3413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -2.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -0.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -3.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -3.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -4.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -4.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -2.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 12 2 1 1 0 0 0 2 35 1 0 0 0 0 13 3 1 1 0 0 0 3 36 1 0 0 0 0 4 15 1 0 0 0 0 4 38 1 0 0 0 0 11 5 1 6 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 16 2 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 8 17 2 0 0 0 0 8 22 1 0 0 0 0 9 20 1 0 0 0 0 9 22 2 0 0 0 0 10 20 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 6 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 44 1 0 0 0 0 25 28 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END $$$$