MMs00314580 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 1.3011 -0.7465 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2618 -1.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9032 -2.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -2.9929 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5670 -3.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 -4.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4972 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6580 -2.2237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1261 -2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8726 -1.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8659 -0.1186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1737 1.3495 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4843 2.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 1.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0563 2.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3642 3.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3726 -1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1190 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1261 -2.5235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3796 -3.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1331 -5.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8796 -3.8286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1332 -5.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6261 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 0.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 0.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 0.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0844 -2.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -4.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6135 -5.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 -4.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5806 0.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4223 0.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9730 0.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7393 2.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2252 2.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2571 3.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 1.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8179 1.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0923 -4.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 -6.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 -5.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6293 -3.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8261 -2.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6228 -1.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 -0.7394 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8991 0.4606 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 8 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 37 1 0 0 0 0 9 38 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 10 54 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END