IFLAB-ZINC04120078 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.6650 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5450 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1010 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -2.6290 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -2.8710 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7060 -2.5090 2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5820 -3.4900 1.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1270 -3.7910 3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4640 -4.4920 2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5260 -4.5090 1.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4750 -3.9440 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 -3.7740 -0.9630 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.7140 -4.5560 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7050 -4.5260 -3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 -5.5710 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1350 -5.5440 -5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6880 -4.4700 -5.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 -3.4240 -5.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2630 -3.4550 -3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6770 -4.4350 -7.5980 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.6010 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -3.7440 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -2.0080 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -3.5830 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -4.4590 3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 -2.8720 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4630 -5.5080 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2980 -3.9230 3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7570 -5.5900 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 -4.0150 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7110 -6.4100 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6960 -6.3610 -5.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6820 -2.5850 -5.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7060 -2.6400 -3.2170 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 M END