MMs02950454 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 66 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 1.2931 0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 2.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2079 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5128 -2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8059 -1.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4891 0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1108 -2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4038 -1.4177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7088 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7206 -3.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0018 -1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3068 -2.1369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5998 -1.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9048 -2.1163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1978 -1.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1860 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2927 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6718 2.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1813 2.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8810 0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5880 0.1233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4115 3.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7623 0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5028 -2.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5146 -3.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2216 -4.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8196 -4.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8314 -5.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1364 -6.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4294 -5.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4176 -4.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1126 -3.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6082 1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 -0.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6082 -1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5145 1.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 1.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1734 -2.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5223 -3.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8284 0.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4796 2.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3467 -3.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8894 -3.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3944 -0.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2232 -0.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7659 -0.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4554 3.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0032 4.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3675 4.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5221 -0.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9381 0.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0025 2.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5372 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7970 -6.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1458 -7.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4734 -6.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4520 -3.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1031 -2.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 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 11 2 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 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 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 26 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 36 2 0 0 0 0 35 61 1 0 0 0 0 36 37 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 M END