PUBCHEM-ZINC04556677 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 43 0 0 1 0 0 0 0 0999 V2000 -1.8470 1.4010 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.2540 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.1580 2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -0.9190 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -2.1070 0.1000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4050 -2.5580 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -3.2500 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -3.7520 -1.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -1.7030 -1.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -2.4670 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -3.0280 -0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -2.7870 -2.8810 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5310 -1.9280 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -3.2080 -3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -3.3450 -4.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -3.6760 -5.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -3.7660 -6.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 2.2600 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 1.7370 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 1.0940 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 0.6330 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.8820 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 0.7080 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -0.6060 3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -1.2620 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -0.5450 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -0.9330 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -2.4590 -3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -4.1540 -2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -4.1330 -5.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -2.4070 -5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 -2.9070 -4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -4.6270 -4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -4.5610 -7.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 -2.8150 -7.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -3.5470 0.4210 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4880 -4.0950 -7.0840 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6650 -4.1730 -8.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 -4.9910 -6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 -3.3750 -6.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -3.9050 -3.0960 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4940 -3.9610 -4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -3.7920 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -4.8190 -2.8000 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 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 M CHG 1 36 -1 M CHG 1 37 1 M CHG 1 41 1 M END