IFLAB-ZINC04314877 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 1.7530 0.3560 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.6460 0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -1.4040 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -2.3480 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -2.6450 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -3.5060 -0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -1.8480 -1.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -0.8500 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.1960 -2.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -2.0460 -2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -2.8840 2.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -3.6180 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.2330 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -1.3270 2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -2.5120 4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -1.4780 6.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -0.7920 7.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 -1.6950 6.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -2.1640 5.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.8490 4.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 -0.9730 7.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 0.2310 7.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 -1.7780 7.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 -1.3490 7.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -2.7770 7.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -0.1330 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 0.8750 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 1.0930 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -1.1030 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -2.3210 -3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -2.8240 -2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -2.0250 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -3.5820 4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -2.3610 7.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.7780 6.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 0.1390 6.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -0.5020 8.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.5720 7.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -1.3080 4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -2.8600 5.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -3.0890 3.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -3.7650 5.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -1.9300 5.1350 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5650 -1.0980 4.5430 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 8 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END