B3VHO8 -OEChem-04012116042D 46 49 0 0 0 0 0 0 0999 V2000 4.6783 1.6038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 2.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 -2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0719 -2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 0.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8819 0.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 1.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 24 1 0 0 0 0 2 29 1 0 0 0 0 3 21 2 0 0 0 0 4 26 1 0 0 0 0 4 43 1 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 41 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 18 2 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 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 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 27 40 1 0 0 0 0 28 42 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$