PUBCHEM-ZINC05976181 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.2420 1.7460 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 2.0630 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 2.4980 -2.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 1.9570 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 2.3280 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 2.2080 -1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 2.4430 -2.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 1.7890 -0.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 1.5160 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7440 2.1770 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 0.0600 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -0.9720 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -2.3080 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -2.6370 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -1.6210 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -0.2860 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -1.8920 3.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 1.6340 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2700 0.3570 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1790 -1.0680 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3360 -0.9730 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8220 0.3710 1.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6420 0.3900 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 2.6790 -3.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 0.8790 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 2.5970 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 1.5250 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -0.7530 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -3.0940 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -3.6800 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 0.4780 2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -2.8360 3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 1.6680 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 2.5010 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 0.4200 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 -0.5320 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5640 -1.9600 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5490 -1.0190 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1410 -1.6610 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0010 -1.1930 2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 2.6930 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 0.1490 1.1700 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.0000 0.9340 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8990 0.1100 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 24 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 1 42 1 M END