MMs00959658 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 -0.0070 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1251 1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 0.4659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6962 1.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0683 -0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4668 0.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6361 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4101 -1.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0129 -2.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -0.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 0.0611 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -1.1525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1705 -2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 -3.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 -1.5456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 -2.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -3.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1872 -4.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3293 -3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7425 -3.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0137 -5.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8716 -6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 -5.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5253 1.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4242 2.3637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6485 1.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3471 -2.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8331 -3.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 -1.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7026 -0.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7028 -2.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -3.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5742 -4.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1123 -1.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6561 -2.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1442 -5.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0886 -7.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5448 -6.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END