MMs00945554 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 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 -0.7416 -1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 -2.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7415 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 2.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2414 1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4830 2.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 2.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7413 1.3814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4829 2.6852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1791 3.4268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7868 1.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2245 3.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6056 5.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7138 6.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0176 5.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7153 4.1555 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 -3.8825 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 -1.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5765 -3.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0932 1.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5576 -2.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 -1.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3696 0.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7006 1.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6066 -0.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4065 -0.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1065 -0.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0763 3.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3763 3.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3480 0.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4302 5.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5807 7.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1107 6.1199 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 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 38 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M END