MMs03181129 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 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 1.2976 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 2.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 -1.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 -2.2426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9014 -1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -3.7341 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3716 -4.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 -4.0432 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6879 -4.3537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2763 -2.7427 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5869 -1.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2705 -1.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7678 -2.5831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7736 -3.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1428 -3.0832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9832 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5154 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9027 0.0865 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4106 0.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 1.3017 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.0960 -0.5859 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.1415 -5.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 -6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7701 -6.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8749 -7.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9482 -4.7399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 -4.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 -5.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 -2.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0381 -0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4188 -1.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 -2.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5264 -4.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7795 -8.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -9.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9702 -7.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7927 -2.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 -1.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -3.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 31 43 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END