B2G1FE -OEChem-04022107003D 48 50 0 0 0 0 0 0 0999 V2000 -2.3094 2.0914 0.1941 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3098 -2.0918 0.1940 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3086 2.9076 -1.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4621 2.6865 1.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3089 -2.9077 -1.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4626 -2.6869 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 1.0995 0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -1.1002 0.1939 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 -0.2862 1.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7059 0.2856 1.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 -0.2862 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7061 0.2856 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 0.8603 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 -0.8603 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 0.2814 1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 -0.2813 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9659 0.4930 -1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 -0.4928 -1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1043 -0.6918 0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 0.6922 0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9543 -0.4801 -1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9539 0.4806 -1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5235 -1.0725 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 1.0731 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5807 -2.1126 -0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5798 2.1137 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8291 -0.9084 2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 0.5332 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 0.5424 -1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8343 -0.9087 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4313 -0.5338 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 0.9078 2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8342 0.9081 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 -0.5430 -1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8022 0.5613 2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 -0.5609 2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5355 0.9403 -2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -0.9396 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -1.1452 1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 1.1484 1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2737 -0.7674 -2.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2706 0.7708 -2.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5558 -2.8305 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5688 -1.6428 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 -2.6836 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1718 1.9412 -1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1229 3.1063 -0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2763 2.1011 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 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 M END $$$$