IFLAB-ZINC04504858 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 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 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 -0.0060 -0.6460 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.0130 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -0.8610 1.0970 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -1.7800 2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.1470 -0.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 0.6060 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 0.8760 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 2.0220 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 2.9110 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 2.6330 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 1.4800 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 4.1420 2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 4.3820 3.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7270 4.9980 1.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 6.2180 1.7560 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1570 6.5930 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2070 7.2840 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 8.4010 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7930 7.4460 1.2150 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4970 8.0380 2.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4630 7.2010 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 5.9100 1.7820 C 0 0 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.5750 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 0.1400 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -2.1290 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.0840 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.7980 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 0.1880 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 2.2320 4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 3.3160 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 1.2620 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 4.8060 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 6.8490 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 7.6920 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3680 9.0100 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 9.0190 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3020 5.6680 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 5.0880 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END