MMs01153596 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 59 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 1.2956 -0.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8937 -0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8009 1.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0898 -0.7910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0830 -2.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3787 -3.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6811 -2.3027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6878 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0469 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4314 0.5531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3990 1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9767 -3.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1268 -4.5510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5926 -4.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3484 -3.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3498 -2.4547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1965 -6.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6876 -6.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5747 -5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0658 -5.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6697 -6.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7825 -7.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2915 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1607 -6.8967 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6047 1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 -1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 -1.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0628 -1.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 0.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3735 0.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1182 -1.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6609 -1.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4289 0.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9716 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7163 -1.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2589 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9022 -2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6675 -3.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6032 -3.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1459 -3.9696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8687 -1.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1033 0.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5990 1.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4044 2.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1990 1.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0308 -6.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2748 -7.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0916 -4.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7755 -4.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2657 -9.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5818 -8.7468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 M END