MMs02491788 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 -0.0081 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3111 -2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2869 -2.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 -3.7569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3181 -3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0242 -4.4999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0323 -5.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 -6.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 -6.7569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 -6.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8607 -6.7709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5738 -4.5139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8769 -3.7709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1874 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 -4.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 -3.2791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1021 -2.4306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5106 -1.9760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6620 -1.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 -0.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7445 -3.4439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 -4.8175 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9499 -6.1911 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.5242 -4.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7672 -3.1969 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0065 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9055 -1.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 -2.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 -2.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2562 -7.9569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6383 -5.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2109 -5.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1193 -1.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9663 0.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7469 1.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 -3.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 -4.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5307 -5.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 25 26 2 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 25 1 M CHG 1 26 -1 M END