B1QL4V -OEChem-04022109392D 39 41 0 0 0 0 0 0 0999 V2000 4.9889 3.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.2874 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7619 2.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.1767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.2874 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6783 0.4827 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 0.7874 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 4.6783 2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.2874 0.0000 C 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 2.8660 0.2874 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 7.7619 0.4214 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 6.2619 -0.4446 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 2.0000 0.7874 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 6.7619 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -0.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 0.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 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 2.8660 2.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 -0.4446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -0.4446 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 6.4519 -1.8476 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 7.2249 -2.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -3.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 -2.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.5567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 14 20 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 33 1 0 0 0 0 21 32 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 2 2 -1 5 1 M END $$$$