IFLAB-ZINC04087017 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 1.9000 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 1.9010 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 1.5620 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 1.6690 2.8560 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 2.1740 4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 2.2570 4.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 2.6660 6.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 3.8410 6.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 1.7400 6.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 2.4620 5.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 2.3480 4.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 1.9930 3.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5860 2.6550 5.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 2.5380 5.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9250 2.8260 6.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6080 3.2310 7.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2840 3.3490 8.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2720 3.0580 7.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8750 3.5920 8.8860 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.1470 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.2250 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 0.0350 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.4420 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 2.9240 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 0.8040 6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 2.0100 7.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 2.7450 6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1720 2.2240 4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9600 2.7360 6.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 3.6660 9.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 3.1450 7.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 0.0650 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 1.6320 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 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 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 30 1 0 0 0 0 11 31 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 15 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 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END