PUBCHEM-ZINC04818915 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -1.0420 0.4840 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 0.4700 2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 2.6530 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 3.5330 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 4.9380 2.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 5.9830 1.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6460 5.9090 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 7.3290 1.8840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7970 6.8970 2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 5.4100 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 4.7840 3.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 7.6110 3.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 8.3780 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 8.5220 0.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 9.1650 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 10.1130 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 10.7000 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 10.1870 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 9.0080 0.9240 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 5.7430 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 5.6920 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 5.4700 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 5.2880 -2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 5.3320 -2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 5.5570 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 5.1310 -2.9310 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9880 4.8310 -4.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 5.2610 -2.2880 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4970 -0.5030 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.4010 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 1.0380 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 0.4440 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.5410 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 0.9640 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 3.0560 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 2.5870 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 3.4550 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 3.2030 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 7.7330 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 10.3680 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 11.4610 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 10.4500 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 5.8390 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 5.4480 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 5.1200 -3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 5.5920 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 1.2380 1.1000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7970 1.2980 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 47 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 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 19 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 47 1 M END