B4WAG1 -OEChem-04022102022D 49 52 0 1 0 0 0 0 0999 V2000 6.2619 -1.2632 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 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 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 3 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 6.7619 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.9952 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 6.7619 -3.8613 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 7.7619 -3.8613 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 4.6844 3.0617 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 2.8660 -2.2632 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 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 7.0719 -1.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -2.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -3.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 -1.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -1.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -4.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -4.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -3.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -2.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 -4.0733 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 3.5160 3.8613 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 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 12 3 1 1 0 0 0 3 44 1 0 0 0 0 13 4 1 1 0 0 0 4 45 1 0 0 0 0 5 22 1 0 0 0 0 5 46 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 7 21 2 0 0 0 0 7 24 1 0 0 0 0 8 23 2 0 0 0 0 8 26 1 0 0 0 0 9 25 1 0 0 0 0 9 26 2 0 0 0 0 10 25 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 22 1 6 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 47 1 0 0 0 0 M END $$$$