PUBCHEM-ZINC05113219 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 47 0 0 1 0 0 0 0 0999 V2000 -0.1860 1.6550 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 0.1280 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -0.3140 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -2.4150 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -3.9290 0.1510 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4410 -4.3340 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -4.6740 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9720 -4.4830 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 -6.1920 -0.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5330 -6.5500 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -6.9980 -0.2370 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0670 -6.6580 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -8.5030 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -9.1570 -0.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 -10.1110 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 -6.8060 0.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8610 -7.5130 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -6.3690 -1.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -6.6000 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 -4.1500 -1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -4.2320 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -4.1090 -1.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -5.0670 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 2.0670 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 3.5690 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9380 3.9960 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 3.9330 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 4.8110 -0.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 2.0450 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 2.0920 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -0.3090 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.2580 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 0.0990 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -0.0430 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -1.9810 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -2.1430 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -8.7410 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -8.8860 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 1.5570 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 1.6980 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -1.8000 0.1710 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4260 -2.2630 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -2.1110 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 3.3620 1.0880 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0610 4.3020 -1.2470 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2890 4.9580 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 3.7230 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 4.8780 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 41 1 M CHG 1 44 -1 M CHG 1 45 1 M END