MMs02477747 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 42 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 0.7545 1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 2.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 1.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -1.2913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5089 -2.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 -3.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 -5.1910 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5089 -2.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0089 -2.5774 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 1.3120 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4910 2.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0155 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7634 3.8945 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0179 5.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2634 3.8893 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2545 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 2.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 -1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 3.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -1.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 -3.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7217 -3.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 -4.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -0.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8807 -0.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 -2.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7214 -3.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 -1.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2957 1.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 0.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1165 -1.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4498 -2.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4910 -2.6239 0.0000 O 0 5 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 42 -1 M END