MMs01555432 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 -1.5000 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 2.5859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7185 3.9031 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2184 3.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 5.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 6.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4578 5.2324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1973 6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6973 6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4577 5.2566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7183 3.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2183 3.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9577 5.2688 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9456 6.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9698 3.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4576 5.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1971 6.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6971 6.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4575 5.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7181 4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2181 3.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9575 5.3173 0.0000 Cl 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 -2.0915 -1.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4604 1.2711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 1.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 2.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3493 3.5139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0664 6.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3961 7.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4793 7.7296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8215 6.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8492 3.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5195 2.7682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 3.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 2.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5887 7.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2886 7.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3265 2.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6265 2.9439 0.0000 H 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 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 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 16 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 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 17 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 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 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 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END