MMs01698788 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 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 0.7596 -1.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 -1.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2595 -1.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5191 -2.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 -2.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 -3.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5383 -5.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7594 -1.2491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7402 1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7401 1.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2401 1.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9997 0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4996 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2400 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4804 2.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9805 2.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2209 3.9801 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7209 3.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9613 5.2847 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.7095 1.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8773 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5115 -1.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6077 1.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0348 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 1.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0922 1.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4268 -3.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4946 -4.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -6.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5819 -5.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -2.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6074 -0.9683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1325 2.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4074 -0.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0727 3.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0492 -0.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2566 -1.5258 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END