MMs03789686 MOE2007 2D CORINA 3.40 0006 02.08.2006 60 62 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 1.3023 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -2.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4984 -0.7215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2093 -2.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 -4.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5182 -5.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8139 -4.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8073 -2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7876 1.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0965 -0.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0456 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6945 -0.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7011 -2.1987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0034 -2.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2992 -2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4183 -3.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8142 -4.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3217 -4.4088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5699 -5.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8841 -2.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2926 -0.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5883 0.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9837 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2794 2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2728 3.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5686 4.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5954 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 0.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -1.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 -1.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 0.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9634 0.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6883 -2.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1793 -5.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5234 -6.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8558 -5.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8439 -2.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -1.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8718 -1.6260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5333 -6.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1744 -6.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6065 -5.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1387 -4.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0568 -2.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6295 -1.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8028 1.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5683 2.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6948 1.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4603 2.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1731 3.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6051 5.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9640 5.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 M END