MMs01845817 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 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 0.7609 1.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0218 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7826 3.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0435 5.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4564 5.2085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2173 3.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 2.6106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 3.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 2.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 6.4887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3043 6.4761 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2918 4.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 7.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8043 6.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5651 7.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0651 7.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 6.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0433 5.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5434 5.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3041 6.4259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0650 7.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3259 9.0238 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5649 7.7060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3258 8.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5867 10.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8257 8.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5866 10.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0865 10.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9783 11.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4010 10.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3884 9.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9580 9.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 0.6087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6087 -1.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0342 -0.6087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 3.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5122 3.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0868 1.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4439 2.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 7.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 8.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6738 8.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6346 4.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9347 4.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8954 5.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1562 6.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4170 7.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9953 11.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6171 12.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3777 11.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3533 8.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 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 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 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 33 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 M END