MMs03498526 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 52 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 -1.5000 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -1.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 -2.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0147 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 -1.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2426 -1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9853 -2.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4761 -2.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4861 -1.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7797 -4.2492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4765 -4.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3112 -6.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 -3.9818 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1466 -4.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3650 -3.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -2.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7319 -4.6101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9504 -3.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8020 -2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0205 -1.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3874 -1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5357 -3.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3172 -4.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6059 -1.1108 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.4807 -2.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7310 0.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8243 -0.2360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1912 -0.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4948 -2.3228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9856 -2.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6035 -1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4944 -0.1112 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7573 -1.2778 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6059 1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 1.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -3.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5794 -3.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8485 -0.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4699 -5.8581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 -5.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8506 -5.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7085 -1.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9018 -0.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6292 -3.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 -5.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7057 0.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5797 -3.5307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7786 -0.8783 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 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 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 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 48 1 0 0 0 0 32 33 1 0 0 0 0 32 49 1 0 0 0 0 M END