B4EKA7 -OEChem-04022106162D 42 45 0 1 0 0 0 0 0999 V2000 4.6783 0.4943 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.0311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -0.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.2990 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2990 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 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7990 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 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 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 9.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 2.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 2.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8445 -0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 -2.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -2.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -3.5680 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 8 1 0 0 0 0 2 18 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 29 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 2 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$