MMs03069153 MOE2007 2D CORINA 3.40 0006 02.08.2006 28 30 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 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2523 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5046 2.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7477 1.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 3.8984 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7523 1.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6362 2.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0619 2.0382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4893 2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3688 1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4850 0.0721 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0592 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 0.0772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8688 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6165 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1165 -0.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 -1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 -1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 3.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 1.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2674 3.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8622 3.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6626 2.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9972 1.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8642 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4623 -2.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 27 28 1 0 0 0 0 M END