IFLAB-ZINC04166766 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 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 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -2.6680 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5410 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1020 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -2.5820 0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -2.1720 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -3.1430 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2920 -2.9640 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5180 -1.8910 1.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5650 -1.0070 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -1.1310 1.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5730 -4.1350 0.6380 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.9240 -3.3750 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1600 -4.2290 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1310 -5.2500 0.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2980 -3.8570 2.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.5000 -4.6860 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6250 -4.0540 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4690 -3.1500 2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5010 -2.5700 2.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6880 -2.8930 4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8440 -3.7980 4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8150 -4.3810 4.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 -4.0800 -0.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 -3.7810 -0.6200 N 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 -0.3400 -2.6000 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -3.7470 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 0.0350 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 1.1810 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7920 -0.1500 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6390 -3.2940 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1280 -2.3820 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3220 -3.0400 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7850 -4.7680 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2960 -5.6800 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3230 -2.8970 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1600 -1.8630 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4940 -2.4390 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9900 -4.0500 5.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1580 -5.0910 4.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 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 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 M END