B8W9RN -OEChem-04012115332D 40 43 0 1 0 0 0 0 0999 V2000 4.6783 -0.3717 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.1651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -1.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -0.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.4330 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7619 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 1.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 1.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 0.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 19 1 0 0 0 0 5 18 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 27 3 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$