IFLAB-ZINC04115458 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4290 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -0.6850 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 -0.1250 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 -0.9250 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 -2.2340 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -2.4360 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -0.3990 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 0.5600 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8760 1.0710 -1.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 1.8270 -2.6080 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7930 2.2300 -2.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1520 0.9860 -3.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 3.3060 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 4.4820 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2300 5.6440 -2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 5.6340 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 4.4520 -3.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 3.2900 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 4.4210 -4.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 5.5140 -4.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 6.8200 -4.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3610 6.7840 -3.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9870 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -3.0310 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5230 0.1300 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0220 -1.2310 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3050 0.0310 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 1.3920 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 0.9670 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 4.4920 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5610 6.5610 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 2.3720 -4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 5.5110 -5.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 5.4220 -3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 6.9080 -5.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 7.6680 -4.2670 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 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 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END