MMs01879857 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 62 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 1.2980 -0.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2959 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8961 -0.7554 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8961 0.4446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1982 1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4941 -0.7591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0922 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0922 0.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6903 -0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6882 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6882 -3.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3881 -3.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0901 -2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9862 -3.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9841 -4.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2863 -2.2699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5843 -3.0217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5843 -1.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5822 -4.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8802 -5.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8781 -6.7735 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.1761 -7.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8843 -2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8864 -0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 0.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 -1.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0959 -2.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -3.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4959 -2.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 0.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3707 0.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4925 -1.9591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0242 0.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5668 0.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6222 0.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1649 0.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1023 0.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8718 -0.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1582 -3.9348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6155 -3.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9086 -2.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6781 -3.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2879 -1.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4007 -4.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1702 -5.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2922 -4.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0616 -5.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5746 -8.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2144 -8.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7775 -6.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8539 -2.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1823 -3.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -2.2554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9324 -2.8569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2224 -2.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 60 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 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 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 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 59 1 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 60 61 1 0 0 0 0 M END