BW79QS -OEChem-04012116022D 39 41 0 1 0 0 0 0 0999 V2000 2.5369 -2.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.9065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -2.7112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0562 1.3373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6596 1.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3704 0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9702 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3024 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0812 -1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 0.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6801 0.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 1.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4663 2.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 1.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 -0.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9842 -0.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 1.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3528 2.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3033 3.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7101 2.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8287 3.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0711 3.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7852 -0.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 35 1 0 0 0 0 3 16 2 0 0 0 0 4 15 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 M END $$$$