MMs01305483 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 1.3023 -0.7444 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2630 -1.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9003 -0.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9068 -2.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 -2.9887 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5718 -3.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3088 -2.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6176 -4.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0225 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9517 -1.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4405 1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4919 0.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4854 2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7811 3.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0834 2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 3.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3727 4.5450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6815 2.3007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9773 3.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9707 4.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2665 5.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5688 4.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5753 3.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2795 2.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8776 2.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8841 0.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1734 3.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5955 1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 0.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5955 -1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 0.9272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 0.9339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0877 -2.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3221 -3.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4176 -4.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 -5.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8176 -4.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4436 2.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7759 4.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1318 0.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7994 -1.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6867 1.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9289 5.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2613 6.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6054 5.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2847 1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7779 2.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2100 3.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5689 4.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 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 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END