MMs00545872 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 40 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 0.0064 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0328 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3086 -2.2444 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3478 -2.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -3.7444 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3150 -4.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 -4.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -5.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -3.7555 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3223 -3.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -2.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 -4.5110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8811 -3.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1897 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4855 -2.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4791 -3.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1769 -4.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7750 -4.5332 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.0772 -3.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7686 -6.0332 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.7878 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 -5.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6172 -4.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 -1.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5738 -5.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8508 -1.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1948 -0.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1718 -5.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0674 -6.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 -3.8845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 -0.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0836 -2.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1254 -1.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END