IFLAB-ZINC04519108 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.9980 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.6880 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -2.0960 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -4.1820 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -4.7750 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -4.8720 0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 -6.3370 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -6.8670 0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6350 -6.5150 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 -8.3740 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6300 -9.1730 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 -10.5040 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -10.4400 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 -9.1460 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -6.2660 -1.4560 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 -4.8610 -1.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -6.8650 -2.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6210 -6.9460 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6080 -6.2440 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8780 -6.7770 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1610 -8.0140 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1720 -8.7170 -1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 -8.1800 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7560 -8.6850 -0.9380 Cl 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 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -2.4720 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 -4.3990 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -6.6890 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -6.6980 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 -8.8570 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -11.4020 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 -11.2840 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3880 -5.2780 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6500 -6.2280 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3920 -9.6830 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -8.7270 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 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 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 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 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 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 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 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