MMs03080859 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 58 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 0.7521 -1.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 -1.2953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0043 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 -3.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7557 -6.2682 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 -5.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 -4.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 -6.1328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5043 -2.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 -3.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2521 -1.2904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7521 -1.2879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1521 -0.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 -0.2255 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9625 0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8735 -1.2844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8145 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8170 -3.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3217 -0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7075 0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6451 1.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1969 1.2241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1558 0.9464 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.2182 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6664 0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0523 1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9899 2.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5416 2.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7226 3.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6646 4.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0659 4.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3841 -1.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8324 -1.5620 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0382 0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 -0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -5.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8858 -5.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 -7.3264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6504 -0.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6270 2.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1362 2.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0639 -0.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5164 -0.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2109 2.0401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7913 2.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8726 4.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6571 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2077 5.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2514 4.0989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3746 5.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9983 -3.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 40 1 0 0 0 0 10 41 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 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 34 54 2 0 0 0 0 M CHG 1 25 1 M CHG 1 35 -1 M END