IBS-ZINC04646210 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.8220 1.2270 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.0090 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -0.3100 1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -1.5300 1.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -1.7950 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -0.9760 3.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -3.1080 2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -3.1620 4.6210 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -4.7560 4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 -5.2860 5.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -6.5170 5.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 -7.3030 6.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 -8.5470 6.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6830 -9.0520 4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -8.3030 3.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -7.0380 4.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -5.8480 3.2640 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -0.8780 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 -1.4610 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -2.2720 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -2.5100 -3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -1.9320 -3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.1160 -2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -3.3100 -4.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 0.9770 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 1.6150 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 1.9830 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -2.1850 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -3.2050 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -3.9270 2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 -6.9220 7.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 -9.1390 6.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 -10.0330 4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 -8.6980 2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -1.2770 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -2.7230 -2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -2.1200 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -0.6640 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -2.8390 -5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END