IFLAB-ZINC04942254 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6950 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1010 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8220 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.0920 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.7150 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.0620 2.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -4.5830 2.3780 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -4.8890 4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -6.3740 4.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -7.1490 3.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -6.8400 5.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -8.2840 5.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -8.5380 7.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -8.9760 8.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -9.2080 9.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -9.0040 10.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -8.5670 9.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -8.3400 8.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -7.7980 7.3330 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7700 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.9840 -0.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0020 -1.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6620 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0160 -2.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.6420 -2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.6030 4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.1550 4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -4.4320 4.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -4.4560 4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -6.2200 6.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -8.7410 5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -8.7170 5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -9.1350 7.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -9.5500 9.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -9.1860 11.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -8.4070 10.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -2.8140 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -1.9930 -3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -3.5940 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 25 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 22 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 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 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END