MMs00031659 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 -0.0096 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5884 1.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3038 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 2.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 3.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1864 1.5332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 -0.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7845 1.5499 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7845 2.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4807 2.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9507 2.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6065 3.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4156 2.1702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0741 0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5691 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4223 -0.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7805 -1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2855 -1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4323 -0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9723 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6481 -2.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6337 -2.8796 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 -0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 2.0933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2769 3.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 -0.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 -1.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 0.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 -1.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7344 -1.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2771 -1.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7034 3.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2461 3.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1577 3.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0826 2.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6184 -0.1925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7720 -2.8525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M END