BS6HG5 -OEChem-04012114452D 46 49 0 0 0 0 0 0 0999 V2000 8.1667 4.8933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 3.4920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 5.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 4.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 5.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 4.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 23 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 26 2 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 17 21 2 0 0 0 0 17 38 1 0 0 0 0 18 23 1 0 0 0 0 18 39 1 0 0 0 0 19 24 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 26 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$