MMs03778698 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 53 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 1.2961 -0.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 -2.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0118 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5862 -3.0102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 -4.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8882 -2.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 -3.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 -0.7654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 1.4897 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 2.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0059 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2902 2.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 3.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 3.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 -0.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0902 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6883 -0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7001 2.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3981 1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6041 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0369 0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6041 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 1.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3211 4.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 5.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 4.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4284 0.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9711 0.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0265 0.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5691 0.8855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3153 -1.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 -1.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4560 -1.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9133 -1.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3963 -1.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1729 0.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9324 3.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4751 3.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9922 2.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2156 1.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0410 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.3922 -1.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9962 1.4488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0378 2.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 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 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 18 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 48 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 50 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 48 1 M END