MMs02828628 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 38 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 -0.0119 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3169 -2.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2811 -2.2603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5861 -1.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 -2.1416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1916 -3.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 -1.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2244 0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -0.0301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4545 -1.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8363 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7276 1.0407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2181 0.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8173 -0.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1094 2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6093 2.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0842 3.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8777 4.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6572 3.5088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5190 3.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8897 5.8807 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.5144 3.9416 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2715 -3.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 1.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 -2.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5288 -1.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2715 0.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6857 1.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4964 -1.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9106 -0.7004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2483 2.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3069 1.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 M END