MMs03897617 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 1.3040 -0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 -2.2414 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3138 -3.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0198 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0297 -4.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 -2.9828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 -2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -0.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 -2.9657 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3673 -3.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 -4.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5099 -2.2071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8138 -2.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8237 -4.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1079 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4119 -2.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7059 -2.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6960 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0980 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 1.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 0.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 -1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 0.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2049 -1.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 0.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 1.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 -4.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0257 -4.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 -5.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 -4.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4198 -4.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7491 -2.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 -0.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3842 1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 -2.2585 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 42 -1 M END