IBS-ZINC06660890 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.9890 1.6780 -4.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 0.2610 -4.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -0.4750 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 0.1570 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -0.5850 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -1.9590 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -2.6060 -2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.8530 -3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -4.0710 -2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -4.6660 -3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 -6.1010 -3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -6.9510 -2.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -6.3980 -4.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -5.4150 -5.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -5.5420 -6.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -3.8910 -4.8140 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -7.7950 -5.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -8.1840 -6.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -7.3740 -6.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -9.4320 -6.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -9.8100 -7.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -11.2680 -7.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -11.6570 -8.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -12.1730 -9.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -12.3790 -10.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -12.7420 -10.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -11.9820 -9.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -11.5560 -8.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 1.9200 -3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 2.0530 -3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 2.1440 -5.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 1.2330 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -0.0860 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -2.5350 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -2.3460 -4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -4.6720 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -7.9110 -5.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -8.4370 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -10.0790 -6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -9.6940 -6.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -9.1680 -8.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -11.3840 -8.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -11.9100 -6.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -12.3830 -10.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -12.0150 -9.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 16 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 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 M END