MMs02867431 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 39 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 -0.0041 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -2.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 -1.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -2.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 -3.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5857 -4.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2887 -3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0124 -4.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0165 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 -3.7464 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1838 -4.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4849 -3.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8535 -4.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1613 -5.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8603 -3.2698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1138 -1.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7277 -0.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -2.2765 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3516 -3.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9579 -4.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4493 -4.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3343 -3.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7280 -2.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2366 -2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6130 -1.1693 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0033 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5972 -0.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9318 -1.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5824 -5.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 -5.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2499 -5.7715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9343 -6.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5274 -3.8811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7515 -1.1220 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 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 30 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 12 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 37 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END