MMs01609137 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.2936 0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 3.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 2.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8916 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 -1.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4016 -2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8753 -3.7949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3753 -3.7842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8286 -2.3543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -1.9184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1358 -2.9301 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9843 -3.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8134 -4.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -2.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -1.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 -3.4884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1030 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2105 -4.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6404 -3.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9627 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8553 -1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4254 -1.5702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3926 -1.6753 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 1.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6074 -1.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2394 2.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5679 4.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9158 2.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9853 -4.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5555 -5.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3586 -4.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 -4.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9526 -5.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5264 -4.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1132 0.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6035 -1.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2395 -0.5553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 1.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 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 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END