MMs00037444 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 67 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 0.7517 -1.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2517 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0034 -2.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 -3.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0069 -5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5069 -5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 -3.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 -2.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2517 -1.2921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7517 -1.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5034 -2.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0120 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4000 1.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3092 -0.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3073 0.7650 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3465 0.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8801 1.2267 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0315 2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8781 2.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3040 3.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1873 1.9797 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4979 3.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6873 1.9817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4356 3.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6839 4.5798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4321 5.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9321 5.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6839 4.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9356 3.2837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1839 4.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9356 3.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4356 3.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1839 4.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4321 5.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9321 5.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4344 7.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8055 6.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6507 4.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 0.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 -0.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0552 -3.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -6.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -6.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4552 -3.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6503 -0.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8448 -1.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3728 -2.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8145 4.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3425 3.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2887 0.9433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8308 6.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5308 6.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3370 2.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0370 2.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3308 6.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1748 7.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9796 6.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 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 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 48 1 0 0 0 0 9 10 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 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 42 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 60 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 61 1 0 0 0 0 41 62 1 0 0 0 0 M END