IFLAB-ZINC04166777 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 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 -12.3980 -5.2340 2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5320 -6.0170 2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4280 -5.7950 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1910 -4.7910 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0590 -4.0030 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7650 -2.7360 -0.7230 Cl 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 -11.6980 -5.4070 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7170 -6.8020 2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3130 -6.4080 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8910 -4.6180 -0.4900 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 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 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 26 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 25 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 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 M END