MMs03205256 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 41 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 1.4952 0.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0714 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9323 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3479 -1.4591 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7328 -2.0353 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8843 -2.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -1.2535 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0522 -0.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1521 -2.2295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0006 -3.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5759 -3.6144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9759 -4.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0807 -3.4944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3577 -4.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6399 -6.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2653 -7.2358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6112 -1.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9538 -0.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 0.2417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2079 -3.7153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 -4.4961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6227 -4.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7618 -3.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4861 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8983 -5.6883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 2.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 3.9975 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7808 0.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2576 -4.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2956 -5.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9871 -6.4690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0301 -6.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1769 0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 2.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6212 1.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 3.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 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 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 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 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 34 1 0 0 0 0 27 35 1 0 0 0 0 28 29 1 0 0 0 0 28 36 1 0 0 0 0 28 37 1 0 0 0 0 29 30 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 M CHG 1 5 1 M CHG 1 20 -1 M END