IFLAB-ZINC04148346 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 0.0420 -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 2.3360 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 3.6100 0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 1.4740 0.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 2.5990 -1.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 3.3960 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 4.6040 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 5.3960 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 4.9920 -4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 3.7760 -4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 2.9820 -3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 3.3400 -5.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 4.0350 -6.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 5.7720 -4.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1590 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -2.7470 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 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 3.3640 -0.4770 -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 5.0970 2.2020 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 4.9240 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 6.3330 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 2.0450 -4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 6.4140 -5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 2.1700 -6.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.8550 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -3.8190 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 1.9260 -7.2390 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 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 26 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 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 M END