PUBCHEM-ZINC03814214 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 69 0 0 0 0 0 0 0 0999 V2000 -0.3990 -0.4040 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -1.8160 0.5390 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4850 -2.0220 1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -2.1850 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -2.6550 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -2.3530 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -2.9140 0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -2.7340 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -2.0330 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 -1.8500 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 -2.3640 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 -3.0670 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -3.2490 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -3.9330 1.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -5.3460 1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -5.9380 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -5.4380 3.3400 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1630 -5.7070 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -6.1160 4.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -3.9900 3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 -3.5730 1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1550 -3.3430 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 -3.9820 2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8620 -5.4440 2.4390 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4050 -5.8980 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -6.0570 3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4520 -5.8410 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -0.1300 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -0.2510 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 0.2190 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -1.5320 2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -3.0890 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -1.5960 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -2.0330 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -3.2340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -1.5630 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -3.7060 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -2.4410 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -2.7890 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -1.2740 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -1.6300 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 -1.3030 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4380 -2.2190 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -5.5530 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -5.7960 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -7.0250 3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -5.6430 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -6.7810 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -5.3360 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -5.2040 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -5.9170 5.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -5.7450 4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -7.1900 4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -3.4730 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -3.6480 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -3.7760 4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 -3.7860 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3470 -2.2700 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0130 -3.6860 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5800 -3.6470 3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4520 -5.6040 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3270 -6.9830 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8390 -5.4430 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2220 -5.7200 4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -7.1420 3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 -5.7630 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9270 -5.5610 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 -6.9200 2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9940 -5.3360 3.3930 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 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 M CHG 1 2 1 M CHG 1 17 1 M CHG 1 24 1 M END