MMs01265275 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 52 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 1.5000 0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -1.2808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5209 -2.5859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6724 -1.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 -3.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 -4.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -4.2244 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 -4.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1626 -5.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 -2.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7604 -1.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 -2.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8717 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 2.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3019 0.8171 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3140 -0.6829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4393 -2.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8465 2.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7931 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3981 2.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 2.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7755 1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1705 -0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0743 -1.6034 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 -0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 1.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 0.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1764 -3.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 -4.9163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 -5.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -5.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 -2.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -2.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3689 0.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6987 1.2198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2905 -1.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9646 1.7791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0643 2.7738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7284 2.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0437 2.8361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3733 3.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9685 1.4339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8794 -1.0367 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 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 39 1 0 0 0 0 11 40 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 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 M END