IBS-ZINC02127952 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.2990 1.7410 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 0.2730 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -0.1790 -1.4490 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0890 0.4930 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -1.5760 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -0.2230 -1.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0500 -0.8360 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -0.8850 -2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -0.4650 -3.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -1.9430 -2.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 -2.7570 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -3.9300 -3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -4.8610 -4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -6.0770 -4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -6.1030 -4.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 1.0810 -1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 2.1390 -1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 3.3140 -1.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 3.5370 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 4.8040 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 5.0620 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 4.0500 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 2.7810 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 2.5340 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 1.2060 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 0.2930 0.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 1.9590 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 2.3870 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 2.0070 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -0.3440 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 0.0910 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -1.5660 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -1.9110 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.3200 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -2.1790 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 -2.1340 -3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 -3.1170 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 -4.4940 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -3.5480 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 -4.3030 -5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 -5.2320 -3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 1.9290 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 5.5950 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 6.0520 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 4.2520 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 1.9940 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 -6.9110 -5.5620 O 0 5 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 5 1 0 0 0 0 3 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 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 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 47 -1 M END