MMs02463768 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 60 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 -1.5000 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 1.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 2.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 2.5924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6049 3.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 3.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0098 5.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 2.5896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2524 1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 1.2864 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9524 1.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7475 -1.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2475 -1.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9951 -2.6206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4951 -2.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2475 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7475 -1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4951 -2.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7426 -3.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2427 -3.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4902 -5.2215 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.9902 -5.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2378 -6.5220 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.9951 -2.6319 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.7475 -1.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7426 -3.9323 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7476 1.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -1.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 -1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0932 3.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3059 3.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3793 0.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 3.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3716 -0.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7061 -1.1963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7938 1.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1284 0.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6191 -1.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9537 -2.4995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0414 -0.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3759 -0.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3931 -3.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6495 -0.2855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3495 -0.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3407 -4.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7049 2.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3495 0.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 3.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5049 2.5840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9068 3.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 4.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 56 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 57 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 31 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 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 34 55 1 0 0 0 0 54 57 1 0 0 0 0 56 59 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M CHG 1 31 1 M CHG 1 33 -1 M END