B5ZCF0 -OEChem-04012119212D 42 45 0 0 0 0 0 0 0999 V2000 7.1962 -1.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 -3.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -2.7482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -4.3577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -3.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 -2.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 -4.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 2 0 0 0 0 3 22 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 28 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 29 1 0 0 0 0 6 10 2 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 22 1 0 0 0 0 7 36 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 14 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$