MMs01629645 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.3003 0.7479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3027 2.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3502 1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -1.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8959 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 -2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1913 -3.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 -2.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -0.7606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7893 -3.0127 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0896 -2.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3874 -3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3850 -4.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6877 -2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8469 -0.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3146 -0.4680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8045 0.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0625 -1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0570 -2.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5182 -4.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9849 -4.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9904 -3.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5292 -2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 1.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 -0.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 -1.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5027 2.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 3.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 2.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8532 -2.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1893 -4.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1981 1.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3197 -1.3443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8624 -1.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9564 0.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7138 -5.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3539 -5.7648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1638 -3.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3336 -1.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END