MMs01042639 MOE2007 2D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 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 1.2369 -0.8486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6504 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5645 -1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -2.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 -2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -3.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2851 -4.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 -2.6893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -3.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2905 -5.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4798 -6.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -5.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0631 -3.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8738 -3.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4493 -3.3717 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0640 -1.4955 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0235 0.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1045 -2.9950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5635 -1.4550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -2.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8911 -2.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8506 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4121 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0607 1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1479 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5865 1.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9379 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6789 0.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 0.6789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 -0.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9903 0.8041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 -3.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4558 -1.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1814 -5.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3222 -7.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8175 -6.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 -1.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4549 -3.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9951 -3.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1722 -3.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0807 -1.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9098 1.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8668 3.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 2.6754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0887 0.0505 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 6 1 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 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 34 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 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 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 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END