MMs02217471 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 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 -0.7418 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5163 2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7581 1.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5163 2.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 1.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -1.3415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9835 -2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4834 -2.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2416 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2579 1.2282 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.7416 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4834 -2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7252 -3.9772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4670 -5.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9670 -5.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7252 -3.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9834 -2.6924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7088 -6.5941 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 3.8829 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7744 3.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5327 5.1866 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6065 -1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9418 1.3113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 3.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0934 -1.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 -1.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1352 -2.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3770 -3.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0769 -3.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 0.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -6.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9251 -4.0037 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 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 36 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 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 17 19 1 0 0 0 0 18 39 1 0 0 0 0 20 21 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 23 24 1 0 0 0 0 23 40 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 41 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END