MMs02433756 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 63 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 0.7585 -1.2941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7755 -3.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -5.1960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -5.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2245 -3.9117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -2.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2415 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2075 -6.5098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 -3.8823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0169 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 -1.2843 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6584 -0.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7414 1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7413 1.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9828 2.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4829 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2413 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9997 0.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9828 2.6765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4827 2.6863 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8827 3.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2412 1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7412 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4996 0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7582 -1.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2242 3.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7242 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 -0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 -3.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4075 -6.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6007 -7.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8822 -4.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9412 -3.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9311 -1.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8696 0.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 -1.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6302 -0.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 2.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9066 -0.9941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6066 -0.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5760 3.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8761 3.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3760 3.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1163 0.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4573 0.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5251 2.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8661 1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9996 0.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4657 5.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0589 6.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6064 -0.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 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 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 58 61 1 0 0 0 0 59 60 1 0 0 0 0 M END