IFLAB-ZINC02457110 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5280 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 -1.3760 -0.4910 0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 0.0410 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.5720 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 3.4580 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 3.8820 2.7350 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1120 3.5060 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 5.4090 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 5.9130 4.4660 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 5.6030 4.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 5.5570 5.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 3.3460 3.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -1.4000 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -1.8280 -1.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -1.8850 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -2.9050 -1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -3.3980 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -4.4020 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 -4.6940 -3.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9060 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.8900 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.3600 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.3660 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -0.2840 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -0.3170 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 1.9320 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 1.9810 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 3.9390 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 3.7570 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 5.7860 2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 5.8190 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 3.6390 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -2.3540 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -1.0410 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -2.4360 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -3.7500 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -3.8670 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 -2.5530 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.9990 1.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 7.4340 4.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 -4.9730 -2.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 -5.6110 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 7.8530 5.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 41 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 M END