MMs00947764 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8865 -1.2100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3135 -1.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 -2.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6456 -3.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 -5.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 -5.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3911 -4.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2284 -3.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8557 -2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 -1.2041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 1.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7557 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4384 -2.3470 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5519 -1.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3249 -3.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6484 -1.4605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 -2.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2312 -1.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0685 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2785 1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6512 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8139 -0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6039 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7666 -3.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1393 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3438 -7.1022 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 0.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7092 0.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -0.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6696 -2.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 -3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 -5.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 -5.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6954 -0.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9496 -0.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8764 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 -0.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3541 -3.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8877 -2.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9703 0.7962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1483 2.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 1.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9121 -1.3806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6556 -4.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 -4.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6231 -2.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END