IFLAB-ZINC05145806 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8430 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5700 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -2.3750 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -3.7140 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -4.4420 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -4.2920 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -4.6140 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1920 -5.1300 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4850 -5.2400 -0.7350 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -4.5770 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 -4.3600 -2.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 -4.6760 -3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3830 -5.1540 -3.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -4.4460 -4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4770 -4.7240 -5.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -4.4080 -7.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -3.8890 -6.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -3.7600 -5.2440 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 -5.5600 2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4170 -5.7020 3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -4.4340 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 -4.3910 2.6380 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -1.7950 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -3.9790 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4690 -5.1510 -5.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -4.5680 -8.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -3.5870 -7.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9540 -4.8090 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6150 -6.5180 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1300 -5.8330 4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -6.5650 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 -3.5560 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 -4.4450 4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -5.1760 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -3.4180 2.6880 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END