MMs00169566 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 -0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5176 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0177 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7411 1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2765 3.8817 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0765 3.8817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7764 3.8715 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1764 4.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5353 5.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0352 5.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5176 2.5674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0175 2.5572 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0073 1.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0278 4.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5175 2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2763 3.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7763 3.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5174 2.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0174 2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7585 1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9997 -0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4998 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7586 1.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2587 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5353 5.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 -1.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0929 -1.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4588 1.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5752 3.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 1.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9105 1.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6834 4.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3834 4.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6245 3.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9585 1.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5926 -1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8927 -1.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6516 0.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3354 5.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7941 6.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4012 7.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 42 43 1 0 0 0 0 M END