BJ6R3D -OEChem-04012118472D 45 47 0 0 0 0 0 0 0999 V2000 6.2619 -0.2209 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.5838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -2.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 2.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.6217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -1.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 -0.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -0.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -0.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -3.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -3.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 -0.5309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5719 0.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7249 0.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -2.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8819 -1.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 2.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 21 1 0 0 0 0 3 45 1 0 0 0 0 4 21 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 13 2 0 0 0 0 10 21 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 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 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 20 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$