BR50JB -OEChem-04022100292D 41 42 0 0 0 0 0 0 0999 V2000 5.6783 -1.4162 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3211 1.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9674 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -2.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.6114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -2.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -1.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -1.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -1.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 0.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 0.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 1.0646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 0.4446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -3.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -2.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 -2.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -3.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 -0.0745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5137 2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 -2.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 2 40 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 22 1 0 0 0 0 5 41 1 0 0 0 0 6 22 2 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$