IFLAB-ZINC04517405 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 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 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3570 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.5130 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -2.0180 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -2.6920 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -2.0330 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -3.1340 -0.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -4.4870 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -4.1170 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -5.0650 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -5.3080 2.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -5.6680 0.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -5.7850 0.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -6.0450 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -5.1400 -0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -7.4250 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -8.4690 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -9.7570 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -10.0270 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -9.0080 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 -7.7000 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 -6.3960 -0.8510 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.9910 -7.2550 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.5360 0.0170 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 1.6950 0.0010 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.3220 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -2.2000 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -2.4190 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -5.4740 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -6.2950 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -6.5070 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -8.2660 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -10.5620 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 -11.0400 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8820 -9.2270 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7220 -6.5340 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7980 -8.0000 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3810 -7.7480 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -0.0500 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -0.3330 -0.9420 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 4 1 0 0 0 0 2 25 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END