IFLAB-ZINC04166879 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2430 -0.6500 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.1220 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 1.4370 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.0730 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.1270 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.8250 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -4.1330 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -4.6000 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -3.2240 -0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -5.0490 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 -4.6960 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -5.5870 -1.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 -5.6940 -2.6200 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5440 -6.6010 -2.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 -5.8800 -3.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -4.1200 -2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6220 -3.9900 -2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2160 -2.7530 -2.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4350 -1.6470 -3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 -1.7770 -3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4700 -3.0150 -3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -3.1440 -3.2560 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5570 -2.6250 -2.8380 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9130 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.5700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -0.3630 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.1530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -5.6410 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -4.9300 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -6.0820 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -4.8150 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -3.6630 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -6.1150 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 -4.8520 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 -0.6820 -3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 -0.9140 -3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 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 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 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 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 M END