B7YNI6 -OEChem-04022108062D 50 53 0 0 0 0 0 0 0999 V2000 4.6783 -2.3052 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 1.0976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.2315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.6345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 1.9636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.5005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 1.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 1.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 0.8855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3695 2.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6793 2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -0.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -1.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 1.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7988 2.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9519 2.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7249 1.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -1.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 1.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 2.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 1.4266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -2.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 11 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 25 1 0 0 0 0 4 44 1 0 0 0 0 5 17 2 0 0 0 0 5 25 1 0 0 0 0 6 14 1 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 25 2 0 0 0 0 7 29 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 23 2 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 24 2 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 28 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 19 22 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 26 1 0 0 0 0 23 42 1 0 0 0 0 24 27 1 0 0 0 0 24 43 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$