PUBCHEM-ZINC04543632 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 51 0 0 1 0 0 0 0 0999 V2000 1.5820 1.4200 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 0.2790 -0.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4460 0.6440 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -0.7620 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -1.8550 0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -0.2940 2.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -1.1360 3.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4650 -1.7710 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -2.0140 3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -0.2110 4.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 0.4170 4.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.4070 -1.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 0.1010 -2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 1.1920 -2.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.7270 -3.9520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4410 -0.2030 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -2.1860 -3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.9540 -5.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -4.3490 -4.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -5.1660 -6.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -6.4860 -5.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -6.8650 -5.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -6.1660 -6.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -8.2730 -5.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -0.5800 -4.8830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -1.1830 -4.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -1.8920 -3.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -0.8620 -5.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 1.0530 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 2.1680 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 1.9230 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -2.6460 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -1.4070 3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -2.6610 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -1.3050 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -2.1950 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -2.7240 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -3.0470 -5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 -2.3990 -5.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -4.2640 -4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -4.8810 -4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -5.3090 -6.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -4.6530 -6.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -7.1540 -5.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -8.9740 -6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2190 -8.4020 -5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -8.4860 -4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 0.0160 -5.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -0.9160 -6.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -1.5830 -5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 0.1450 -5.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.1940 5.3760 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 52 1 0 0 0 0 12 13 1 0 0 0 0 12 35 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 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M CHG 1 52 -1 M END