PUBCHEM-ZINC00422580 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.5410 0.7190 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.6470 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -0.7870 -1.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -0.6440 -1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -0.9010 -2.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -1.1790 -3.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -1.1080 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -1.3850 -2.6470 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -1.6760 -4.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -1.9200 -4.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 -1.8620 -6.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -1.8380 -8.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -3.0840 -9.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -3.2830 -8.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -3.3010 -6.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -0.3060 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -1.2850 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -0.9700 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 0.3250 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 1.3130 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 0.9960 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 0.5890 2.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 1.5270 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 1.5200 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 0.9190 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 0.7750 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -0.8390 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -1.4380 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -0.8030 -4.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -2.5420 -4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -2.8430 -4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -1.0740 -4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -0.9160 -6.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.6940 -6.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4250 -1.7580 -8.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -0.9460 -8.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -3.9620 -8.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 -3.0020 -10.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -4.2230 -8.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -2.4780 -8.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -4.1440 -6.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -3.3490 -6.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 -2.2970 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -1.7290 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 2.3280 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 1.7770 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -2.0260 -6.4530 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4070 -1.2330 -6.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 47 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 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END