MMs01357241 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 66 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 1.5000 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 1.3121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4849 2.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7424 1.3207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7511 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7337 2.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2424 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 2.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4848 2.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2423 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 1.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4848 2.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 0.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7573 -1.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0149 -2.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2573 -1.2165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1460 -2.4248 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9945 -3.2734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5699 -1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5612 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1319 0.0022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7696 0.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1434 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3518 0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1864 2.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8125 2.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6041 1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3948 3.1017 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.6907 -3.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2669 -4.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2755 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7048 -6.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5794 -5.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2984 -1.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -0.3952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 3.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2697 3.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 3.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 2.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 1.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3788 3.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0788 3.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1059 -0.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4059 -1.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7846 1.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 0.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5447 -2.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7545 1.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2757 -1.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4509 0.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6802 4.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5051 2.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2920 -3.6262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3088 -6.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0822 -7.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 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 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 24 25 2 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 34 35 2 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 36 37 2 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 M END