IBS-ZINC02120824 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5700 -1.6950 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -0.8530 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5100 -1.5680 1.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 -1.8130 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 -1.4410 3.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4490 -2.5350 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1120 -2.7840 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -3.4650 3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2950 -3.9040 4.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3510 -3.7960 6.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4230 -4.3250 6.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4440 -4.9650 6.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4020 -5.0800 4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3280 -4.5520 4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 -4.5230 2.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 -4.9040 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8350 -3.8760 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1030 -3.5850 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 -2.9440 1.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 0.0270 -0.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 0.1360 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -1.4130 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -1.8650 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 -2.4550 4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5580 -3.2980 6.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4670 -4.2410 7.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2800 -5.3760 6.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 -5.5800 4.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 -3.8920 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 0.9180 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 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 26 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 M END