MMs01140163 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 53 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 1.2942 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8922 -0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4903 -0.7916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 1.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0883 -0.8082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2398 -1.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2355 -2.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7007 -2.6222 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4590 -1.3280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0590 -2.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4625 -0.2069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7837 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2133 1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 2.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9967 3.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8884 4.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9518 -1.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5706 0.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0634 0.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9373 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3184 -2.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8257 -2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1923 -3.4718 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6066 1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -1.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 -1.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 0.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 0.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -1.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 -1.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4306 0.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9733 0.8810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4826 -1.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0355 -2.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1024 -3.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0331 1.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5657 2.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1064 3.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6391 4.7479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 5.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0018 5.5538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0798 3.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8715 1.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5585 1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1315 -0.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3306 -3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 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 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 52 1 0 0 0 0 M END