BM78SE -OEChem-04012113402D 41 42 0 0 0 0 0 0 0999 V2000 5.7570 0.9434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2923 2.5907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7296 3.6199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9071 3.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 3.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2433 2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9865 2.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4735 2.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2171 3.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9916 2.1017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6629 1.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 4.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6832 4.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 3.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 2.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1634 3.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9523 1.7342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7319 1.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 32 1 0 0 0 0 6 17 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$