MMs00142639 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 1.3011 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3052 -2.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 -2.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9032 -2.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 -4.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -6.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -6.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 -5.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 -5.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2994 -6.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8398 -7.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 -7.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 -8.7072 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 -5.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 -3.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2254 -4.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6783 -1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9883 -8.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0286 -4.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1406 -5.9250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5684 -5.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 -3.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3121 -3.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4241 -4.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1082 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6804 -6.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8520 -4.0865 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 0.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7084 0.3823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4834 -0.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0057 -9.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5711 -6.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5635 -3.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 -2.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3358 -5.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0308 -5.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 -3.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8205 -2.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 -0.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 -1.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 -7.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2856 -8.9919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9611 -8.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5319 -3.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9762 -4.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9947 -3.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5648 -2.3663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9978 -6.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4277 -7.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2186 -3.3116 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3778 -3.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 54 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 54 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 54 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END