PUBCHEM-ZINC06292520 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 -0.1290 1.2760 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -0.2160 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -0.5140 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 0.3490 0.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -1.8570 0.5650 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -2.4280 0.8690 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1640 -1.8320 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -2.5580 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -1.0780 3.0990 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -0.1760 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -3.8370 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -4.4820 0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 -4.3040 -0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -5.6170 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -5.5610 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 -6.9090 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -7.8570 -2.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 1.5760 -0.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5960 0.9460 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 3.0600 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 3.4730 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 1.6280 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.8460 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.7760 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -0.5910 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -2.5260 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -3.3950 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -2.7490 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4250 -3.7320 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -6.3200 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 -5.9370 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -4.8340 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -5.2200 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 -6.9070 -4.1870 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7820 3.5990 -1.7290 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2720 1.2810 0.6150 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9240 0.5160 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 1.2350 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 2.2040 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 35 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 M CHG 1 34 -1 M CHG 1 35 -1 M CHG 1 36 1 M END