MMs00767986 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 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 -0.7540 1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 1.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7462 1.4351 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.9053 1.7457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0626 2.9013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7659 3.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6137 5.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6481 2.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1818 2.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4348 3.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7512 4.9735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2434 5.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8493 3.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7315 2.7532 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7465 0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2786 -1.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2788 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7470 -1.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2149 -0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2147 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7473 -3.0361 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.2154 -2.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2794 -4.4613 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2460 -1.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1572 2.3378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8572 2.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8428 -2.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 -2.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8466 6.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0223 3.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -1.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9045 -3.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3895 -0.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5890 1.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6428 -2.3526 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 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 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 42 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END