MMs01465592 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 47 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 1.2966 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 -0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8897 -2.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 -3.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -3.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4927 -0.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4877 -2.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0907 -0.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 1.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6888 -0.7886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6496 -1.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6839 -2.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3586 -0.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6656 -2.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3660 0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8660 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6203 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8745 3.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3746 3.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6203 1.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1520 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0406 2.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 -1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 1.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9269 -2.8663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 -4.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 1.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0259 0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5686 0.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4839 -2.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6799 -3.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8838 -2.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4625 -0.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8202 1.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4780 4.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7780 4.0932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 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 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 28 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 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 M END