MMs00485455 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 44 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 -0.8589 1.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0452 2.4266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 0.4369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 -0.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3586 1.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0843 2.5705 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6843 3.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 3.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8105 3.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0359 5.1681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 2.5985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3581 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6325 0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8579 1.3416 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0579 1.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6319 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1317 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9058 -1.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4055 -1.1722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1796 -2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6793 -2.4290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -1.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 2.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1723 0.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4937 0.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 6.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2357 5.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1646 3.6487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5122 -0.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8623 -1.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9013 1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2515 0.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7860 -1.6315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1361 -2.3778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9860 -0.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2599 -1.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2986 -3.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9643 3.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4539 -3.7698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0732 -4.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5835 2.6544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7833 2.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 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 18 1 0 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 41 2 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 M END