MMs03458904 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 41 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 -0.3743 1.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 -2.4270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4055 -2.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -0.4592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.2491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -2.5221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7240 -3.5613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3701 -3.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 -3.8143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -1.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6319 0.0623 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.2319 1.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1319 0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8779 -1.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3692 -1.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1749 -0.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6766 -2.8731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7714 -3.3645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3753 -3.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2463 -4.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2637 -2.6120 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.0891 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8859 1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6398 2.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 -0.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5069 -0.8138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2516 -0.8160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5899 -0.0488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9271 1.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2608 0.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1161 -5.1201 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6240 -2.5266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2209 -3.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 -1.2344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4748 -2.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3859 1.3682 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 3 4 1 0 0 0 0 3 9 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 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 36 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 40 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 25 1 M CHG 1 35 -1 M CHG 1 40 -1 M END