MMs01164213 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 61 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 0.7402 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 -1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5195 -2.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7207 -3.9026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2112 -4.0706 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3703 -4.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5121 -5.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -6.2804 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 -5.2683 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2103 -6.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 -5.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 -4.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8341 -4.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 -6.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -7.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8435 -6.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 -8.1145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2233 -2.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7705 -1.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6881 -3.2864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 -2.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1650 -2.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6419 -1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6539 -0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2012 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7363 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7243 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0437 0.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5922 1.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0437 -0.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3402 -0.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2311 -2.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 -1.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2492 -0.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6561 -5.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9919 -6.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9851 -3.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 -3.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4839 -6.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 -8.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 -4.4304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6873 -1.5357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1581 -1.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 -3.6114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1779 -3.1457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6547 -2.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1840 -2.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3856 -1.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7177 -0.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3907 0.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2520 2.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1942 2.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7235 1.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9926 0.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6605 -0.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1771 -1.3950 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4876 -2.5541 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 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 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 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END