BU5BC3 -OEChem-04012117052D 46 47 0 1 0 0 0 0 0999 V2000 6.2619 1.2874 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 3.0427 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7619 -1.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -3.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.0922 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.6783 0.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.2874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -1.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -2.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -2.7872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -1.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -1.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.6206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -1.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -1.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 1.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -3.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3819 -3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 5 20 1 0 0 0 0 5 26 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 13 2 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 22 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 11 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 14 16 1 0 0 0 0 14 21 2 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 23 2 0 0 0 0 17 20 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 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 21 24 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$