MMs01948796 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.4996 -0.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5813 -2.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6739 -3.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7092 -1.5370 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3986 -0.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 -0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 -0.7882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7924 1.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6848 -0.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8211 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1035 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5399 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6325 -0.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2887 -1.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8523 -2.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7598 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2649 -1.4227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6424 -2.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0688 -0.0015 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.6969 2.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0262 1.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1997 0.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 -1.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3171 1.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 0.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -3.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 -2.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 -4.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3579 -4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4531 -4.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1381 -2.6648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 0.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2106 0.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5429 -1.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8149 1.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1628 -2.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5773 -3.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8928 2.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5975 3.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5010 2.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 -1.3478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 44 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M END