MMs02559801 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 40 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 -0.7549 1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2549 1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2451 -1.3188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7450 -1.3245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6221 -2.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1532 -3.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0505 -2.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2607 -2.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6890 -2.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3043 -1.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7966 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6737 -2.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0584 -3.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5661 -3.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6798 -4.9384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2550 -4.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0381 -5.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4119 0.3758 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -9.0561 -0.5832 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6313 -0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1732 1.3140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1588 2.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 2.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8412 -2.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 -2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6411 -2.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6026 -0.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8676 -2.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7601 -4.5505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0463 -6.0810 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 22 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 34 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M END