MMs02230896 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 56 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 -1.2967 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -2.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3061 -2.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3014 -0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 -0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 1.5081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 2.2622 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8508 2.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1914 1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4881 2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7895 1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8853 3.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5839 4.5081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5886 -3.0081 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1867 -3.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4881 -2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4928 -0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.0245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0909 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0862 -2.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7848 -3.0244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3828 -3.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6842 -2.2867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6889 -0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3923 -0.0326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9903 -0.0408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3781 -4.5326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3378 -0.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0132 -4.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3472 -2.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5522 2.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9656 0.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 3.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 3.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1216 -1.3406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6643 -1.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 -3.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9552 -3.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4555 -0.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9941 1.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0277 -0.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4155 -5.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3370 -5.1293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0862 2.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 4.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1782 5.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1273 1.6818 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 51 1 0 0 0 0 16 17 2 0 0 0 0 16 52 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 30 2 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 M END