MMs00485299 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 54 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 0.0048 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 -2.2458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3062 -1.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6029 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 -3.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3111 -4.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -4.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 -3.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6173 -5.9916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9187 -6.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8795 -7.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 -5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5168 -6.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9235 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 -8.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -3.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2918 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5836 -4.5083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7351 -5.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 -6.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2019 -6.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -5.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9559 -3.9026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2725 -2.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -1.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7005 -1.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1776 -1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -2.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2062 -2.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 -0.8883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 -0.4544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -6.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 -5.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9838 -5.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5541 -6.1258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 -5.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 -5.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6064 -7.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 -7.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2965 -6.8088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 -5.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7618 -4.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8637 -3.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8997 -2.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1279 0.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -8.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0171 -0.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1596 -0.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2288 -10.1833 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 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 51 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 42 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 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 52 1 0 0 0 0 50 52 1 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 M END