MMs02272045 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 0.3479 1.4591 0.0000 N 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 -2.0714 1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4952 -0.1200 0.0000 N 0 3 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 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -5.0512 0.0000 H 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 -3.7618 3.2379 0.0000 N 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 -1.2079 3.7153 0.0000 N 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 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 0.7808 -0.9113 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 -1.9871 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 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 -4.8936 3.6367 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 16 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 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 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 5 1 M CHG 1 30 -1 M END