MMs02678756 MOE2007 2D CORINA 3.40 0006 02.08.2006 33 35 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 0.7599 -1.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2597 -1.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5197 -2.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -2.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7597 -1.2476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6506 -2.4544 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4991 -3.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0736 -1.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -0.4800 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6321 -0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0437 1.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9346 0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4345 0.7516 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1979 -3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2101 -4.9915 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0346 0.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6079 1.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0346 -0.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 1.0575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0919 1.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1276 -3.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 -3.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3320 -3.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2660 -1.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4058 3.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6445 2.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1341 -3.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4664 -4.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6207 1.4726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 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 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 30 33 1 0 0 0 0 M CHG 1 13 1 M CHG 1 17 -1 M END