MMs01134270 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 0.7580 -1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 -1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -2.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2741 -3.8831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 -3.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -3.8645 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1149 -4.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7668 -4.0121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0877 -5.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7934 -6.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6724 -5.2386 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7635 -2.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2912 -1.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2327 -3.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7050 -4.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1741 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1709 -3.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6986 -2.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2294 -2.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6953 -1.2549 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 0.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 -0.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 1.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 1.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4579 -1.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 -3.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7816 -5.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2267 -5.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5826 -6.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5047 -7.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9066 -7.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9076 -5.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5520 -6.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3462 -4.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8516 -0.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 M END