MMs01408471 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 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 1.3026 0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 -1.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2883 -2.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2811 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5766 -4.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -3.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8863 -2.2686 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8863 -1.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 -1.5248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4844 -2.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4772 -3.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 -1.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0824 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3850 -1.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3558 0.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6948 0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7019 2.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 -0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4190 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2949 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4074 -2.0322 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9831 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6805 -2.3057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7874 -0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4040 0.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5282 1.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0356 1.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0364 0.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 1.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6401 0.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0492 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -3.5421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 -4.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 -5.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3435 -5.4353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2842 -4.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0619 -3.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1947 -0.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0200 -0.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5627 -0.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 -3.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8494 -3.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6980 -1.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9504 -0.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3957 0.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2417 1.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6092 2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2029 3.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8727 2.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1251 2.9588 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 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 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 27 2 0 0 0 0 18 19 1 0 0 0 0 18 20 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 26 2 0 0 0 0 23 24 2 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END