MMs01020169 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2478 1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 2.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 5.1961 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2434 3.9009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7434 3.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 2.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4911 5.2038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0911 4.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7389 6.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4867 7.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9867 7.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7389 6.5067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9911 5.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2389 6.5092 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.2415 5.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2364 8.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7389 6.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6185 7.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0459 7.2657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0155 7.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0485 5.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6227 5.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -1.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1018 -1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 1.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 1.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6416 4.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 5.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 7.2713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3584 8.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6931 8.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7763 8.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1136 8.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7848 4.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1195 4.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2458 8.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0205 5.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 3.8933 0.0000 O 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 43 2 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 8 -1 M END