MMs02942690 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 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 -0.1687 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0377 -2.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4129 -1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 -0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 0.0079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7908 -1.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 -2.4038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2813 -1.4659 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8804 -2.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9891 -4.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5882 -5.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0787 -5.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9700 -4.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3709 -3.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2623 -1.8033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7528 -1.9720 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5840 -3.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9215 -0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2432 -2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8424 -3.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3328 -3.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2242 -2.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6251 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1346 -0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5164 0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0069 -0.0653 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6968 -6.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 -1.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9027 -3.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5101 1.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7967 -3.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5580 -6.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1624 -4.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7830 -0.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1293 -4.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8121 -4.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4166 -2.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6553 0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1761 -7.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9173 1.4785 0.0000 O 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 43 2 0 0 0 0 29 42 1 0 0 0 0 M CHG 1 28 -1 M END