MMs01979629 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 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 0.1774 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5084 2.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5484 3.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 3.2119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6581 1.7295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 3.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2944 5.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8894 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8164 3.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3083 5.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 3.3067 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0800 4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 4.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6401 5.2613 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9316 6.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7686 4.2731 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0570 2.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 2.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6055 1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 0.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 -0.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7654 0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3454 0.3639 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 0.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1419 -1.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1916 -0.1419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 6.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6869 7.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9566 5.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8251 3.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4239 1.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2382 6.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0203 4.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0366 5.9640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5936 3.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7415 2.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2167 -0.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6606 -1.3182 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 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 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 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 38 1 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 26 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END