MMs00958993 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 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 -1.5000 0.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2397 1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4794 2.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0205 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7602 1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 0.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 2.0130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 2.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6004 -1.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 0.2210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3506 -0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7257 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9322 -0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3073 -0.3629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6004 -1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7230 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1237 1.2468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6308 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7396 1.3286 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 -1.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1081 -1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0712 3.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6287 3.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 -1.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2789 1.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 -1.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0138 -1.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 0.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5955 0.7558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0625 -1.7889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5954 -1.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7164 -2.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8948 -0.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8349 1.9999 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 22 38 1 0 0 0 0 M END