IFLAB-ZINC00944847 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8250 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.6760 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -4.0370 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.5960 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -3.7320 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -2.3510 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -4.7020 3.8120 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -6.1770 2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -5.8960 1.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -7.4580 3.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -8.5240 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -8.3600 1.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -9.8920 3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -10.9970 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -12.2720 2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -12.4560 4.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -11.3640 4.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -10.0830 4.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -11.6040 6.2770 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -13.6490 1.9570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -2.2620 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -4.6850 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -1.6920 3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -7.5890 4.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -10.8550 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -13.4560 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -9.2320 4.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 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 32 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 35 1 0 0 0 0 M END