IFLAB-ZINC04518953 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -1.7340 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -2.4150 -0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -2.2520 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -1.5700 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -3.4740 -0.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -3.9820 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 -5.3810 -1.5780 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3600 -5.3340 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -5.9030 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8520 -6.2590 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1160 -6.6860 -2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0970 -6.5670 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8940 -6.0970 -0.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -6.4920 -0.6130 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -6.1320 -0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 -6.7220 0.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -8.0470 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -8.3720 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -9.5920 -3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -10.4880 -2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -10.1640 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7740 -8.9450 -1.0500 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.0330 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -4.0190 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -4.0290 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 -3.3140 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 -6.2240 -3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9380 -7.0410 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9100 -6.8100 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -7.6720 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -9.8460 -3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -11.4410 -3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 -10.8640 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -8.6930 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 7 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 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END