IBS-ZINC02290456 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8220 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.6720 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.0410 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.5740 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -3.7440 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.3580 2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -1.4630 3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -2.0120 4.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -2.9760 4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -1.2170 5.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -1.6960 6.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 0.1840 5.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 0.6900 4.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.1660 3.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 2.0950 4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 2.4220 5.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 1.2600 6.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 1.2070 7.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 3.0600 3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 2.8150 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 4.4940 3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 2.8510 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -6.3220 1.7790 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -6.5710 3.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -6.8840 1.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -6.7860 1.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -6.8400 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -8.2090 1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 -8.4480 0.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -8.5100 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -7.1620 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.2630 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -4.6980 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -4.1640 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 1.2080 7.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 2.0760 7.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 0.2970 7.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 2.9640 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 3.5140 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 1.7940 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 4.6690 3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 5.1930 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 4.6430 4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 1.8300 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 3.5500 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 3.0260 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -6.0520 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -6.7110 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -8.2200 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 -8.9860 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -8.7380 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -9.2880 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -7.2460 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 -6.4070 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END