MMs03089927 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 38 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 0.0092 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2759 -3.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5888 -1.5160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8832 -2.2740 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8832 -1.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8739 -3.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1683 -4.5319 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1609 -5.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1868 -1.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -0.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4812 -2.2900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7848 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0792 -2.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3829 -1.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6773 -2.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 0.7580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3336 1.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5795 3.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 -0.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 1.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1897 -1.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 -2.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5962 -0.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6935 -3.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4566 -4.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4738 -3.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0192 -0.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5618 -0.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3022 -3.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8449 -3.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3921 -0.0640 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0185 2.9999 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5980 0.0160 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0044 -1.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6409 -0.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1916 1.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 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 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 34 -1 M CHG 1 35 -1 M CHG 1 36 1 M END