IFLAB-ZINC04583734 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 0.1120 1.2040 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.0270 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -0.5420 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -0.0720 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 -0.5430 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -1.4890 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -1.9600 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -1.4880 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -1.9670 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -2.3020 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 -2.1000 2.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2630 -2.9230 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8390 -3.1250 0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8490 -3.2580 2.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1810 -3.8670 2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6110 -4.1470 3.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9820 -4.7740 3.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1140 -6.1480 3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3720 -6.7220 3.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4970 -5.9220 3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3650 -4.5480 3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1070 -3.9740 3.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1000 -6.6540 3.8290 S 0 0 0 0 0 0 0 0 0 0 0 0 -15.9960 -5.6600 3.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9590 -7.9300 3.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5090 -6.9340 5.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.5770 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.9800 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 0.9320 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 0.2460 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.8030 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 0.6630 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -0.1750 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -2.6950 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -1.8560 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -2.0570 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3880 -3.0970 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8930 -3.1850 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1540 -4.8020 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9000 -4.8290 4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6380 -3.2120 4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2350 -6.7730 3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4750 -7.7960 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2440 -3.9220 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0040 -2.9000 3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4400 -6.9130 5.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8180 -7.1200 6.0640 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 2 30 1 0 0 0 0 2 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 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 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 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 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END