IFLAB-ZINC05153607 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.1980 -0.7030 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -0.0140 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 1.3590 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0730 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 3.5720 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 4.0590 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 3.2670 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 3.8170 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 1.9320 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 0.8770 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -0.4420 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.8910 0.0190 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -2.1760 0.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -0.0170 0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -1.1300 -1.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -2.3300 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -1.8970 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.9900 -4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 0.2630 -3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -0.1480 -2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -0.5900 -5.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.9900 -5.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 0.2130 -6.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9150 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -1.7830 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 3.8910 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 4.0120 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 5.1050 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 3.9820 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 0.9900 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 0.8970 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -1.0540 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -0.9890 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -2.8940 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -2.9510 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -1.3530 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -2.7780 -4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 -1.5270 -4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 0.7860 -3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 0.9190 -4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -0.5950 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 0.7270 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 0.5330 -6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 0.4710 -7.3730 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END