IFLAB-ZINC05144785 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.4370 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 0.0580 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -0.6420 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 0.0530 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4380 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.1280 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 2.1400 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 3.3630 -1.1140 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 4.2350 -0.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 3.7920 -0.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 2.6540 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 2.6230 -3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 2.0120 -4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 1.5470 -4.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 1.8850 -3.5990 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -2.1240 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -2.8280 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -4.2080 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -4.8140 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -4.0670 0.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -2.7860 0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -6.1980 0.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -6.6210 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -7.4670 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -7.9490 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -6.7220 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9770 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -0.4790 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -0.4860 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.2060 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 1.9100 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 3.0430 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 1.9190 -5.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 1.0430 -5.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -2.3090 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -4.8000 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -7.2220 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -5.7460 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -8.3150 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -6.8540 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -8.8260 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -8.1520 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -5.9710 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -7.0270 1.2150 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END