MMs03922578 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 1.4860 0.2041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1394 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 -2.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 -1.4764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 -2.1297 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7668 -2.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9375 -1.4214 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0890 -0.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0198 -2.4600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8683 -3.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 -3.8103 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7664 -4.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8804 -3.6061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0748 -5.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 -6.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4962 -2.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4639 -3.3410 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -7.4317 -4.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1417 0.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5307 0.6309 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.9644 2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 -3.6413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3486 -6.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 -4.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9383 -3.0206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0908 -3.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -1.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6622 -0.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 0.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5464 -4.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9691 -5.9326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8506 -7.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3179 -4.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 -2.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0969 -0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9197 1.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2144 -5.5158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3669 -5.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2858 -0.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7389 -2.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 -5.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 25 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 34 43 1 0 0 0 0 35 42 1 0 0 0 0 36 41 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 M END