MMs01113031 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 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 -1.5000 -0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2585 1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5172 2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7414 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 3.8821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1166 4.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6747 5.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7961 6.2528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0901 5.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4644 6.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7685 4.0291 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9276 4.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7648 2.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2919 1.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2341 3.2099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2304 2.0885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6996 2.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6959 1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3744 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6684 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7897 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1887 1.4163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2549 -0.2796 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.7089 -1.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2659 0.8284 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6069 -1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0931 -1.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 1.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5759 3.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 1.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 4.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9758 6.2319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 7.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6124 4.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0780 3.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2749 -0.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7859 -2.1486 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END