MMs03418485 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 44 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 1.3009 0.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 2.2468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 2.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 4.4936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 5.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2072 4.4872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 2.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9027 2.2404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5007 2.2340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 2.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0988 2.2276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1380 1.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0951 0.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 2.9744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4374 2.3718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4034 4.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1062 5.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7043 5.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 6.7404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 7.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 6.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6203 8.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 -0.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5974 -1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7085 -0.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2668 2.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 3.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5752 3.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3017 4.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7450 5.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1068 6.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9545 7.3378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5773 8.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7183 7.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 6.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9131 5.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 8.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6232 10.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 8.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0192 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 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 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M CHG 1 44 -1 M END