IFLAB-ZINC04393918 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 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 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -2.0040 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -2.6310 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8710 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4790 3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1420 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -2.5410 4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -1.8540 5.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -3.0070 6.4320 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -4.3400 5.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -3.8670 4.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -6.0500 5.7840 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 -5.9260 7.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 -7.3100 7.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -8.2830 7.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 -7.4650 8.9980 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 -8.8090 9.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 -8.7060 10.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8240 -8.6760 11.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -8.5830 13.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9110 -8.5180 13.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5960 -8.5490 11.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 -8.6480 10.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6580 -8.4170 14.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 -8.3900 15.4930 O 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 0.2270 -2.5930 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -3.7090 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.1130 3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 1.2200 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -0.7780 5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 -5.3760 7.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -5.4020 8.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 -6.6860 9.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 -9.3590 9.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 -9.3340 8.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -8.7260 11.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 -8.5590 14.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 -8.4990 11.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4210 -8.6760 9.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0040 -8.3550 14.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4490 -8.2900 15.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 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 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 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 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 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 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 45 46 1 0 0 0 0 M END