MMs00876090 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 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 1.4999 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 -1.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2389 1.3181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7293 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0287 2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 3.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 2.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1868 3.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 4.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9686 5.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3991 5.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6443 7.0767 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9194 2.1215 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9325 3.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0937 1.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0256 1.1084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 1.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7803 3.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2108 3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3170 2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9927 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5622 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0989 -0.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5293 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7395 0.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9238 1.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1731 2.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 4.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2819 4.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 5.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7662 -0.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 3.8348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4702 4.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4613 2.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3028 -0.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1682 1.5808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6737 0.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8905 -0.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 8 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END