B05HOB -OEChem-04022102112D 47 50 0 0 0 0 0 0 0999 V2000 4.5411 -1.0077 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 0.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 1.6659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5942 3.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 2.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1819 4.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 1.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5996 3.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 3.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 0.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7752 5.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3967 1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 4.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 3.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -1.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7807 5.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9844 2.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3843 2.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7965 1.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7985 4.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0377 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2352 2.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3310 3.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 5.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6488 0.7859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5763 4.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9421 3.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 0.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -1.1993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 5.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 2.0965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.7855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 12 2 0 0 0 0 3 26 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 29 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 15 1 0 0 0 0 8 31 1 0 0 0 0 9 16 1 0 0 0 0 9 32 1 0 0 0 0 10 17 2 0 0 0 0 10 33 1 0 0 0 0 11 18 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 14 21 2 0 0 0 0 15 22 2 0 0 0 0 15 35 1 0 0 0 0 16 23 2 0 0 0 0 16 36 1 0 0 0 0 17 22 1 0 0 0 0 17 37 1 0 0 0 0 18 23 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$