IFLAB-ZINC04166873 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 -2.7450 0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -4.0410 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -1.8270 0.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 -2.9640 -1.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 -3.8410 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6840 -4.1680 -3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -5.0700 -4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -6.2480 -4.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 -6.9920 -6.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -5.6000 -5.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -4.7460 -4.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -5.4280 -6.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -6.4170 -7.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -6.2500 -7.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -5.1060 -7.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -4.1220 -6.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -4.2740 -6.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.6370 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 -2.5120 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 -3.3380 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 -4.7640 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6090 -4.6700 -3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 -3.2450 -4.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 -6.6710 -4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -7.3100 -7.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -7.0140 -8.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -4.9810 -7.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -3.2320 -6.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -3.5040 -5.4050 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M END