MMs01676961 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 1.4999 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2389 -1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 -2.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -3.8906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -5.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4559 -5.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2169 -3.9160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1949 -6.5140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5732 -7.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -8.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 -8.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6853 -6.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -6.4886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -6.4759 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2923 -4.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3177 -7.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8049 -6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5439 -5.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0438 -5.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8048 -6.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0658 -7.7431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5659 -7.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3047 -6.4250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 1.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 -1.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9609 -1.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 -7.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 -8.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -9.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 -9.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4635 -9.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1291 -7.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 -5.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 -6.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -7.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9351 -4.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 -4.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9747 -8.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 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 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 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 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 26 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 M END