MMs02776927 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 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 1.4999 0.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 3.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 3.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 2.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 3.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 5.2332 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9783 2.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7390 1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2320 1.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2265 2.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5560 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2633 -1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1188 -2.5079 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1403 -0.0205 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9314 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1376 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5129 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6820 -2.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4758 -2.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1005 -2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6450 -4.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4388 -5.3242 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0099 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3477 0.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6091 4.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 4.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3908 4.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8165 3.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5697 3.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0022 1.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4778 0.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7823 -2.5294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1356 -3.0567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0203 -5.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 11 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 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 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 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 2 0 0 0 0 M CHG 1 27 -1 M END