MMs02594564 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 1.2929 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2807 -2.2605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0244 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 -2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6224 -2.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 -4.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3418 -5.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5735 -3.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7182 -4.5141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1828 -4.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 -6.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9434 -3.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4364 -3.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0576 -2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3182 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 0.3765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0911 1.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6963 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5273 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7336 -2.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1089 -2.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2778 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0715 0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 -2.4222 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6084 1.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 0.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6084 -1.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 0.3637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4729 -0.9786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3076 -1.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6567 -2.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6787 -5.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3516 -6.4392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9976 -5.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1338 -4.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1259 -0.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5985 -3.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0739 -2.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3780 -0.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2067 1.5466 0.0000 H 0 0 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 26 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 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 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 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END