MMs03587263 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 51 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 1.3018 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3074 -2.2452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 -2.9903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6092 -1.7903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9054 -2.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2072 -2.9807 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5035 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4979 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0960 -0.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1015 -2.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8053 -2.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0385 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 -4.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 -5.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -5.2451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -6.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 -7.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 -8.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 -5.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5814 -4.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8776 -5.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8721 -6.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5702 -7.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -6.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0414 0.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5961 -1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2704 -2.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 -1.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6734 -1.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4565 -0.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7897 1.2289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1430 -2.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8098 -4.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1415 -6.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9178 -7.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0321 -6.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8084 -7.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 -9.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -3.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 -3.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5858 -3.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9191 -4.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 -7.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5658 -8.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2325 -7.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 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 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 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 37 1 0 0 0 0 14 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END