MMs03631717 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 48 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 0.7518 -1.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 -1.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 -1.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5036 -2.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 -2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 -1.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0611 -2.0366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6318 -0.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 1.0657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2713 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3248 2.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6959 2.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8548 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6425 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2259 0.0137 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.4383 0.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3848 -1.4779 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.9083 2.9968 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 -3.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7068 -4.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 -5.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2504 -6.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7172 -6.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1788 -5.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 0.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 -0.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3986 1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8043 -3.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -3.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0156 2.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1977 3.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7696 -1.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3047 -3.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0718 -5.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 -7.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 -7.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3522 -4.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 29 2 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END