MMs01755611 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 1.4825 -0.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4216 0.9411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 2.2714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 3.2106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 2.3884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7421 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0666 -1.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 -2.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3864 -2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 -1.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2397 -0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5594 -1.4709 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6442 -2.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4747 0.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0570 -1.3862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7325 -0.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2301 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9055 1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0834 2.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5857 2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9103 1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7588 3.9711 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 -4.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5331 -5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1828 1.1860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 0.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1828 -1.1860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 -1.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5344 -0.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 -1.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3484 -4.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7800 0.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7148 -2.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8878 -0.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1036 1.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 3.5507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7122 1.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -4.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9928 -6.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6046 -6.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 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 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 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 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 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 38 1 0 0 0 0 23 39 1 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END