IFLAB-ZINC04505178 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.1360 -2.0320 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.5550 0.1260 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3000 0.0950 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 1.2670 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 1.8140 1.3060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 2.3130 2.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 2.5870 0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 0.1170 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -0.4590 -1.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 0.1960 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -1.0910 -2.5220 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -1.5490 -3.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -1.9320 -2.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 0.2440 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 0.9500 -4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 1.9860 -5.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 2.3520 -4.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 3.4160 -5.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 3.7420 -5.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 3.0360 -4.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 2.0000 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 1.6340 -3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 0.5660 -3.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -2.4730 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -2.5570 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -2.1190 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 0.4660 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.6550 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 2.0670 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 0.9250 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.3960 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 0.1460 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -0.5190 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 0.5600 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 1.0340 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 0.6700 -4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 2.5250 -5.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 3.9730 -6.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 4.5600 -5.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 3.3150 -4.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 1.4620 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 0.0070 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 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 22 23 1 0 0 0 0 23 42 1 0 0 0 0 M END