PUBCHEM-ZINC04533594 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.0450 1.3640 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 2.0900 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 0.0060 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -0.3140 0.7580 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6290 -1.2470 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 0.7690 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 0.8060 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 1.7980 0.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 2.7550 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -1.0020 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -1.1840 -1.1480 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9800 -0.2300 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -2.1680 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -3.3720 -1.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -1.6100 -0.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 -2.4110 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4060 -1.5000 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2590 -0.3070 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6320 -2.1080 -0.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4480 -1.5500 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 -3.0890 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -1.7810 -2.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -1.0500 -2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 0.1690 -2.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -1.8950 -3.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2000 -2.9200 -3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -1.8500 -5.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -0.6750 -5.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -0.6330 -5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -0.0480 -5.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -1.3530 -3.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -1.9590 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -0.6930 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 -0.6120 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -2.9290 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -3.1450 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -2.7900 -2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -2.7740 -5.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -1.7370 -5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -0.8390 -6.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 0.2690 -5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -1.4500 -3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 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 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 28 29 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 42 1 0 0 0 0 M CHG 1 4 1 M END