MMs01463714 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 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 0.4880 -1.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3726 -2.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 -2.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4479 -4.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 -5.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 -5.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5298 -3.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 -3.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9224 -1.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 -0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 0.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5012 -1.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6993 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0799 -1.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2624 -2.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2781 -0.3228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6587 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8569 -0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4200 -2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2218 -2.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8412 -2.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8006 -2.6684 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3870 -1.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2142 -4.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1812 -3.2549 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 16.1397 -2.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9368 -4.3925 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1347 0.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3904 1.1347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 -0.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5834 -1.8709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0146 -6.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 -6.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 0.1798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 0.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1321 0.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7109 1.1843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1960 0.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3678 -4.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8827 -3.1200 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 10 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 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 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 27 -1 M END