B8XY9T -OEChem-04012116592D 39 41 0 0 0 0 0 0 0999 V2000 4.7026 4.3933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.7352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 2.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9329 5.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 12 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 32 1 0 0 0 0 6 14 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 13 14 2 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$