IFLAB-ZINC05264648 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 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 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -0.7510 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -0.5740 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -0.8660 -3.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -1.3440 -3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -1.5270 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -1.2320 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -1.3340 0.7710 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -0.7630 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.5990 2.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -0.8910 3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -1.3080 3.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -0.7080 4.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -0.2300 5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -0.0620 6.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -0.3650 7.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -0.8390 7.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -1.0060 5.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 -1.6020 5.7330 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -2.6830 4.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -1.8160 7.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -0.2220 4.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 -1.7150 -4.7190 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -1.3140 -6.1440 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 -0.6060 -0.2040 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -0.7220 -4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 -1.8970 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 0.0060 4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 0.3080 6.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.2310 8.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -1.0740 8.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 0.0230 4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -0.5060 4.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 0.6470 5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 -0.2610 -6.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -1.9310 -6.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -1.5070 -7.0660 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END