IFLAB-ZINC04518889 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 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 0.6520 -0.5700 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -2.0970 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -2.5560 -1.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -3.8730 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -4.6780 -0.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -4.3410 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -3.5360 -1.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -5.6580 -1.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -6.1180 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -7.6440 -1.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6070 -8.0750 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6070 -8.1160 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1120 -8.9410 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4810 -9.1170 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7320 -8.3890 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 -7.7900 -0.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -8.1680 0.5290 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -7.9060 0.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -7.7820 1.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -9.9260 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -10.6760 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -12.0560 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -12.6850 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -11.9360 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -10.5560 1.0090 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 0.1380 -0.2510 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.2340 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -2.5280 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -2.4120 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -1.9120 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -6.3020 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -5.6870 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -5.8020 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -9.3840 -2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1900 -9.7200 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6860 -8.3040 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -10.1840 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -12.6410 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -13.7630 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -12.4280 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -9.9710 1.4230 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 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 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 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 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 27 46 1 0 0 0 0 M END