IFLAB-ZINC02720099 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 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 1.1820 -0.6590 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.0440 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -2.0700 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.7250 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -4.1650 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -5.3090 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -6.5460 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -6.6730 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -5.5580 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -4.2870 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -3.0210 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -2.8240 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -2.0120 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -0.6980 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 0.1880 0.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -1.1940 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 -0.6600 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 0.5370 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3160 -1.5130 0.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 -0.9690 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1090 -0.7650 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3600 -2.0640 2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1300 -2.9610 2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9630 -3.7350 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -2.9640 0.0670 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 -1.6390 -5.2180 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -7.4300 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -7.6570 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -5.6680 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -1.7980 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -1.8080 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6670 -0.0120 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3360 -1.6600 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3290 -0.2360 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0230 -0.1720 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7460 -1.8850 3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1240 -2.5910 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -2.3470 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2590 -3.6570 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5230 -4.7080 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 -3.8780 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1970 -3.3400 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 -3.1330 0.3520 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 16 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END