MMs00657417 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 0.7388 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5223 2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2834 3.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5447 5.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0447 5.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 3.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2164 3.9163 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5222 2.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 -0.0387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9998 -0.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7609 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2609 1.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9997 -0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2385 -1.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7386 -1.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4996 -0.0903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2384 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4773 -2.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7384 -1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6304 -0.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0530 -0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0401 -2.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6096 -2.6298 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 -1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9388 1.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4834 3.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 6.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5463 6.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -1.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8909 -1.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1699 2.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8698 2.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8296 -2.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1297 -2.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1085 0.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2695 0.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0298 0.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0048 -2.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 34 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 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M END