MMs00552758 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 1.4621 0.3353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5927 -0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4597 -2.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 0.1202 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8796 -1.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 1.5822 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0502 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2795 3.0020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2203 2.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9494 1.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4492 1.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2199 2.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 4.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9909 4.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2594 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4587 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8386 -0.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0379 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8573 2.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0566 3.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4365 2.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6171 1.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4178 0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5984 -1.3314 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.9783 -1.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3991 -2.2324 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2682 1.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 -0.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 -1.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3329 0.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0326 0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4197 2.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1073 5.2705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4076 5.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6044 -1.4734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 -1.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9831 -1.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7534 2.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9121 4.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3959 3.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7210 0.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 8 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 7 1 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 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 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END