MMs02496785 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 63 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 0.7579 -1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 -1.2854 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6578 -0.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0157 -2.5798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6157 -1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 -3.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0315 -5.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7736 -3.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0315 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5157 -2.5707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 -3.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5315 -5.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7735 -3.8561 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4630 -5.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6478 -2.6372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4964 -1.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0772 -3.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0863 -4.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 -5.0642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3052 -5.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3143 -6.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7436 -7.4212 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.6179 -6.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7289 -4.9942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1179 -6.1932 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5179 -7.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8600 -4.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3600 -4.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1021 -3.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6021 -3.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3599 -4.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6178 -6.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1179 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8758 -7.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1757 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 -0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3672 -1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 -2.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 -0.5755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 1.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9571 0.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 -4.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5621 -6.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 -5.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1094 -1.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3477 -7.6775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7299 -4.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0612 -3.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4958 -2.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1957 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5599 -4.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2241 -7.2015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5242 -7.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2821 -8.5305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3146 -0.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7979 -0.0745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0367 -1.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 49 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 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 36 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 34 2 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 36 58 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 M END