MMs01444526 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 58 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 1.4769 -0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 2.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3739 3.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8851 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9194 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7126 -0.6501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2617 -1.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1686 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2751 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 2.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4978 3.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8717 1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1449 2.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4684 1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5188 -0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7415 2.1749 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7022 2.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6911 3.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9642 4.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9138 5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1869 6.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 6.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5608 4.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2877 3.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3381 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0650 1.4690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1154 -0.0302 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.6145 0.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6162 -0.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1658 -1.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2099 1.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1815 0.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2099 -1.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -1.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5153 -0.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7499 2.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 4.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 4.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0868 -1.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1317 0.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6735 0.4016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5170 3.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2430 4.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8550 6.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1466 7.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5289 6.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6196 3.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5122 2.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7862 1.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9664 -1.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2061 -2.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3651 -1.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END