MMs00037854 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 68 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 1.2996 -0.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3006 -2.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 -0.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1983 -2.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 -2.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 -0.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 -2.9945 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5454 -1.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0473 -4.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0959 -3.7435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3944 -2.9926 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3944 -4.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5502 -1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0172 -1.1878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7681 -2.4863 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3681 -1.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7652 -3.6017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4546 -4.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5161 -4.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9831 -4.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1388 -3.0954 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9874 -3.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4373 -2.3445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7369 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7380 -4.5936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0376 -5.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3361 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3350 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0354 -2.3427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6335 -2.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6324 -0.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9309 -0.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2305 -0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2316 -2.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9331 -3.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9341 -4.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2337 -5.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 0.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 -1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5972 1.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8599 -2.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 -4.1963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5345 -0.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 1.2037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0968 -4.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3502 -1.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4239 -0.3074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1094 -5.7807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1831 -4.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4365 -1.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0384 -6.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3757 -5.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5928 -0.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9301 1.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2693 -0.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2712 -2.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6344 -6.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2734 -5.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8330 -4.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 45 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 46 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 37 38 2 0 0 0 0 37 60 1 0 0 0 0 38 39 1 0 0 0 0 38 61 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 M END