PUBCHEM-ZINC05502067 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 40 0 0 1 0 0 0 0 0999 V2000 -0.6930 2.0470 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 0.8480 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -0.0860 -0.5810 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3750 0.2140 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -1.5450 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -2.3830 -1.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -0.0460 -1.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 1.0470 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 2.1400 -1.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 0.8200 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 2.1280 -3.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5390 2.3340 -4.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0150 1.4570 -4.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 3.7910 -4.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 3.0800 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 4.4060 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 3.3760 1.4960 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7030 3.4730 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 2.4570 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 5.6020 1.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 6.4010 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 5.7340 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 2.5250 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 1.7030 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 1.2150 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.3190 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -0.9540 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 0.3390 -3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 0.2130 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 2.8930 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2850 4.2380 -3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 4.3490 -4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 2.6710 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 3.4230 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -1.6980 0.3330 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.0250 3.8990 -5.2630 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7830 3.3380 -6.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2190 4.8650 -5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8900 3.4820 -4.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 4.2780 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 5.0940 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 36 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 35 -1 M CHG 1 36 1 M END