PUBCHEM-ZINC04557174 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2840 -2.5140 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -2.6920 0.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4930 -2.3840 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -4.2210 0.5330 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3780 -4.6060 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -4.6440 -0.9290 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1170 -4.2790 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -4.0890 -1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -2.6610 -1.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8500 -2.2700 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -2.2140 -2.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -2.3930 -3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -2.9860 -4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -3.1670 -5.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -2.7570 -6.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -2.1650 -5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -1.9770 -3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -1.3380 -3.1510 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6560 -0.9740 -3.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -1.1780 -1.9530 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2110 -6.1700 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -6.5680 -2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -4.7440 1.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.1700 -0.0990 O 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 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -3.3080 -3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -3.6290 -6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.8990 -7.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -1.8460 -5.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -6.5280 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -6.5950 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -7.5260 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -5.7090 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -2.4670 0.2380 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END