MMs00055027 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 42 0 0 1 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 1.4099 -0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8978 -1.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 -1.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 0.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 1.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 0.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9111 2.5691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 2.8306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5396 3.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 1.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8301 1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7951 0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2721 1.0567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2371 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7141 0.1698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6790 -0.9787 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.1561 -0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1670 -2.3885 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9002 4.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9353 5.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 1.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 0.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 -0.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 -1.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 -3.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4618 -2.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6149 -1.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 -1.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2294 0.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1391 3.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 1.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7643 0.5548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4189 3.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8689 2.5444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7562 0.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2062 -0.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6818 2.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1238 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -1.5016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5433 -1.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3772 4.5020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7869 5.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 40 2 0 0 0 0 16 17 1 0 0 0 0 16 39 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 42 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END