MMs00767987 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 0.7460 1.3013 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 3.0000 0.0092 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 0.7540 -1.2967 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 10.2794 4.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2154 2.7288 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 0.1428 2.3387 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 2.8572 -2.3295 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 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