MMs03399252 MOE2007 2D CORINA 3.40 0006 02.08.2006 67 68 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 1.2989 -0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4951 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7945 1.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0931 -0.7516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6912 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6910 -2.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 -0.0022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2893 -0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 -0.0027 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5492 0.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9194 1.4951 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.0747 2.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1950 1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4138 1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0615 0.9683 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1008 0.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6908 -0.3515 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.0908 -1.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4040 -1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6178 -2.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3310 -4.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5448 -5.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2580 -6.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4718 -8.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1850 -9.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3988 -10.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1022 2.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6002 1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 -1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5274 -1.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 0.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3696 0.9187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1255 -1.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 -1.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 0.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 0.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 -1.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2662 -1.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0929 -1.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6211 0.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1638 0.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 1.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5178 -1.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0605 -1.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8639 2.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8862 2.7505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0574 2.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1682 0.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3445 -0.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3012 -2.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4182 -2.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5305 -4.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6476 -4.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6042 -6.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1986 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1552 -7.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5746 -7.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5312 -8.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6844 -9.5044 0.0000 O 0 5 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 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 32 2 0 0 0 0 31 67 1 0 0 0 0 M CHG 1 67 -1 M END