MMs01586668 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 1.0865 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2413 -3.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6652 -4.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1232 -4.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1574 -3.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7335 -2.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2755 -2.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5618 -0.7631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 0.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4309 -3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 -4.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 -2.4491 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7086 -3.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 -0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -3.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3057 -2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 -3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9028 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8613 -0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5419 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2642 -0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1390 -0.0201 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.4583 -0.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0975 1.4794 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8273 0.8692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8692 0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 -0.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 -5.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4623 -6.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3238 -4.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5609 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 -0.9663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6339 0.2499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8666 -0.9164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6583 -4.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9583 -2.8762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5087 1.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2087 -0.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 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 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END