MMs00947580 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 0.3235 -1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 -2.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2134 -2.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4596 -3.9419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -4.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 -6.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 -6.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4544 -5.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9544 -5.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -6.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9337 -7.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 -7.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6734 -8.9795 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7147 -3.7835 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4217 -3.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0077 -4.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -2.4904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9750 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7353 -1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2352 -1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9749 -2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4748 -2.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2351 -1.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4955 0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9955 0.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2558 1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5161 2.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7351 -1.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4747 -2.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 0.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2588 1.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1718 -0.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -1.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9675 -2.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 -3.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0912 -4.7813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 -6.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9055 -7.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 -6.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8255 -8.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 -1.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7572 -3.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0993 -2.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6109 -0.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9530 -0.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3666 -3.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0665 -3.5821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4038 1.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4722 2.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9244 3.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5601 3.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5187 -1.9703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0664 -3.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4308 -3.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 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 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END