MMs01250327 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 1.5000 0.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 -1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5204 -2.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7600 -1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0202 -2.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 -2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7804 -3.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2804 -3.8322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1715 -5.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7192 -6.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5944 -4.5640 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5944 -5.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5827 -3.0641 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1525 -2.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6778 -1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8149 -5.4361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6988 -6.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1803 -4.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3254 -3.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6909 -2.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9113 -3.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7662 -5.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4008 -5.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9867 -5.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3521 -5.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0094 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 1.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5916 1.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 -1.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -3.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6560 -4.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9981 -5.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3491 -2.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8069 -1.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0037 -3.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2847 -6.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8416 -7.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8179 -8.1293 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 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 43 44 1 0 0 0 0 M END