MMs01454119 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 1.5000 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 -1.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7537 -1.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7537 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 -2.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 -2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2537 -1.2752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0075 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2612 -3.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5075 -2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2612 -3.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7612 -3.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5075 -2.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7537 -1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2537 -1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.0304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.5150 -5.1571 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2181 -5.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8118 -4.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2687 -6.4540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5225 -7.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7687 -6.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 1.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6264 0.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 1.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 1.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6105 -3.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 -3.6260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8507 -0.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6642 -4.9055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7074 -2.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3507 -0.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4815 -7.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9255 -8.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5634 -8.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7722 -7.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9687 -6.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7652 -5.2496 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 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END