MMs03693357 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 64 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 1.2984 0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8965 0.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 -1.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4971 -2.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7955 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4945 0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0926 0.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0089 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7621 0.6202 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9212 0.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7667 -0.4937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0179 -1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6291 -3.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5504 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4365 -2.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2584 -0.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1411 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6328 -1.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9065 -3.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0071 -2.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0727 2.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4989 2.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8095 4.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6939 5.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2677 4.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9571 3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0913 2.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 1.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 -0.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 -1.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5263 1.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 1.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 -0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 -0.9164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 -2.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4981 -3.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8353 -2.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4935 1.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9266 0.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3365 0.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0630 -2.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4729 -2.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3010 -0.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7109 -0.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8099 -3.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4194 -5.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0032 -4.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1336 -3.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2004 -2.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8807 -1.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3914 1.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9505 4.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9424 6.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3753 5.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8162 2.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 1.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5155 -2.6031 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.1155 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 31 2 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 60 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 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 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 61 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 61 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END