MMs00327644 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 1.2968 -0.7539 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2575 -1.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 -2.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -3.0079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5497 -3.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2922 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5844 -4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4929 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6452 -2.2619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 -2.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8654 -1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -0.1637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1814 1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0697 2.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6093 1.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3654 -1.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1193 0.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1114 -2.5873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3575 -3.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1035 -5.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 -3.8796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1036 -5.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6114 -2.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 0.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6031 -1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 0.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3722 0.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2973 -3.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0727 -2.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 -4.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 -5.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7844 -4.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 0.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 0.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4919 2.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 3.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1804 3.1153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 1.4203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9767 0.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 2.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2420 2.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0661 -4.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5004 -6.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1410 -5.7795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6078 -3.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8114 -2.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6150 -1.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 -0.7618 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8948 0.4382 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 4 1 0 0 0 0 2 8 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 52 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END