PUBCHEM-ZINC00983386 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.8310 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1460 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1040 -0.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7610 -1.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.2120 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -3.1700 -2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -4.2630 -3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -5.4000 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -5.4450 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -4.3520 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.3590 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -3.4360 2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -4.5720 3.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -5.6330 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -5.5640 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -4.4310 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -6.7040 1.7240 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6170 -7.7030 2.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -6.6440 0.7730 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0310 -0.3810 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -0.1860 3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 0.2320 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.4580 5.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 0.2680 4.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.1570 3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -0.3500 2.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -0.1010 3.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -2.2820 -2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -4.2310 -4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -6.2540 -3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -6.3340 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -4.3870 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -2.6090 2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -4.6330 4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -6.5200 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -4.3760 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.3610 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 0.3830 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.7860 6.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 0.4460 5.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 0.9380 3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -0.7580 4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -0.2920 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 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 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END