IBS-ZINC00173784 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8140 -1.5830 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -0.0860 -2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -0.5500 -3.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -0.3190 -3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -0.4070 -4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -0.1780 -4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 0.1380 -3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 0.2280 -2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 0.0020 -2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 0.0990 -1.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.1230 3.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -1.4370 3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -1.8940 4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -2.0410 5.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -1.7320 5.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -1.2680 4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -1.8930 7.1600 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6330 -2.2970 8.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -1.6210 7.2320 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -0.5370 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.0000 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.6540 -5.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -0.2470 -5.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 0.3150 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 0.4740 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -1.3240 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -2.1370 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -2.3990 6.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -1.0230 4.8290 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 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 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 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 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END