IBS-ZINC04075023 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.1410 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4790 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.8710 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -2.6350 2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -2.0090 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.7520 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -4.1720 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -2.5370 4.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -1.7670 5.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -2.3890 6.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 -3.7840 6.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -4.4960 5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -3.8580 4.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -6.2500 5.2280 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -6.5870 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -8.0700 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -8.8230 4.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -4.4740 7.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 -5.0220 8.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 -1.5870 7.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -0.2290 7.3520 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -1.9990 8.7500 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6220 -1.7890 7.6710 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 1.2190 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 0.1140 3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -3.7130 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -4.4880 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -4.6430 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -4.4700 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -0.6940 5.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -6.2350 3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -6.0700 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -8.5560 2.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -9.5140 2.1320 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 21 22 3 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 39 40 1 0 0 0 0 M END