MMs01308777 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 54 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 1.2845 0.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5976 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6262 -1.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9392 -2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 -1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8821 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5368 -2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8953 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9200 -2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1949 -3.8984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7220 -3.6145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8310 -5.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9726 -6.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6086 -7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1031 -7.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9615 -6.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3255 -5.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5967 0.4736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7303 -0.5087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1478 -0.0181 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6572 1.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6384 -1.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5653 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6989 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1164 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4003 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2667 2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8492 1.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8178 1.9443 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6197 1.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0276 -0.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6197 -1.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5985 -2.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9621 -3.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 0.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8593 2.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1109 -2.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7770 -6.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9219 -8.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6120 -9.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1571 -6.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0122 -4.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2723 0.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5032 -1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4718 -1.6881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0233 -0.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4938 3.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9423 2.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 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 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M END