MMs01726226 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 1.3950 -0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 -2.0040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -2.0972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 -0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 0.2532 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -0.3283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3202 -1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7728 -1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8230 -2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2756 -1.7225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6781 -0.2775 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2781 0.7617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1231 -0.6800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9716 -1.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7206 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4578 -3.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4295 0.0572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7210 -0.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7063 -2.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0274 0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3190 -0.7312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6953 -0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6879 -1.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9252 -2.5507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4611 -2.2244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 0.7935 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 0.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4205 -3.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9678 -3.9154 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4411 1.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 0.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4411 -1.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3305 -2.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 -2.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4413 1.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2651 0.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8078 0.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9563 1.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9809 0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0825 1.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4706 -4.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 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 14 1 0 0 0 0 12 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 29 30 1 0 0 0 0 29 42 2 0 0 0 0 M CHG 1 30 -1 M END