IBS-ZINC04795177 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 0.6240 -0.6170 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -2.0030 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -2.5880 2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -1.8050 3.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -0.4880 3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 0.1010 2.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 0.2780 3.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 1.6940 3.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -3.9680 2.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -4.6510 3.5870 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -6.0580 3.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -3.9810 3.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -4.2400 5.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -5.0780 5.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -4.7620 6.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -3.5940 7.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -2.7540 6.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -3.0850 5.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -3.2750 8.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -2.8630 9.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -2.5190 10.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -2.0760 11.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -1.7550 12.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -1.8720 12.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -2.3100 11.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -2.6290 10.6810 C 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 0.2390 -2.6130 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 1.9760 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 2.1880 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 2.0010 2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -4.5320 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -5.9800 4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -5.4160 6.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -1.8500 7.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -2.4380 5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -2.7730 9.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.9850 11.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -1.4130 13.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -1.6190 13.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -2.3980 11.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -2.9660 9.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 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 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END