IFLAB-ZINC04248795 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 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 -5.4000 -2.8640 1.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -4.0130 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 -3.8030 3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 -2.5630 3.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 -1.9860 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 -0.3540 1.7880 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 0.1640 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8500 1.5730 3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7010 2.1680 2.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4750 2.1720 4.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9500 3.4710 4.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5640 4.1360 5.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9480 5.3630 4.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6450 5.7530 3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8040 4.4270 2.6790 S 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 -4.7060 -4.9120 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -4.5100 4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1650 -0.5040 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6040 0.1260 4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5940 1.6950 5.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4660 6.0000 5.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8710 6.7150 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 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 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 M END