B0AOD2 -OEChem-04012116032D 47 49 0 0 0 0 0 0 0999 V2000 4.6783 -0.3038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.2312 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 3.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 2.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -4.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.5009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.3651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 2.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 4.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.1086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.9741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.9741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 1.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 3.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 4.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 0.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 5.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 5.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 4.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 -2.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -3.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -2.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -4.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 18 2 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 4 17 2 0 0 0 0 5 27 1 0 0 0 0 5 47 1 0 0 0 0 6 27 2 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 36 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 39 1 0 0 0 0 9 10 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 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$