MMs02003705 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 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 -0.7524 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 2.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2476 1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7476 1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4952 2.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7428 3.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 3.9013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 5.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 5.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 3.9096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9952 2.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2428 3.9124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2455 2.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 5.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7428 3.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4904 5.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9903 5.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7428 3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9952 2.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4952 2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2428 3.9235 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0111 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5981 -1.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9524 1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 3.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 -1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 5.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6965 6.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7798 6.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1172 5.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 1.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1236 2.2009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8884 6.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5884 6.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5971 1.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8971 1.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -1.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 2 0 0 0 0 M CHG 1 26 -1 M END