IFLAB-ZINC04306850 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2220 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0410 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 2.3350 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 3.6090 0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 1.4730 0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 2.5980 -1.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 3.7560 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 3.5600 -3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 2.0270 -3.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 1.7140 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -2.1600 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -2.7480 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8560 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -4.3210 -0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9710 -4.6680 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -4.8590 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -6.3750 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -6.4290 1.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -7.5010 1.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -6.3200 2.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -4.8440 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.4780 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 3.8020 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 4.6730 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 3.8740 -4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 4.1000 -3.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 1.5020 -4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 1.7860 -4.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 1.9420 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 0.6700 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -2.3870 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -4.3540 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -4.7080 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -6.7570 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -6.9300 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -5.0100 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -4.1400 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 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 38 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 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 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 43 1 0 0 0 0 25 44 1 0 0 0 0 M END