PUBCHEM-ZINC03204393 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -2.3520 1.8840 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 0.4140 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.5050 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -0.0510 -0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -1.8570 0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -2.7850 0.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7990 -3.4990 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -3.5880 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -4.1300 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -5.1590 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -6.0220 -3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -6.9480 -4.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -7.0240 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -6.1780 -3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -5.2560 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -4.3150 -1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -4.1650 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -3.6300 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -2.5180 0.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8220 -1.8280 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -2.9760 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -4.2320 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -4.6230 3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -3.7690 4.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -2.5250 3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -2.1260 2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 -1.6310 4.4000 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6750 -1.9040 5.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 -0.6610 3.8350 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7980 -2.2210 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -2.4600 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 2.5120 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 2.1690 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 2.1020 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 0.2550 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 0.1710 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -2.9420 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -4.4100 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -5.9690 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -7.6130 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -7.7510 -4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -6.2360 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -4.9270 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -5.5950 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -4.0900 5.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -1.1550 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -1.6730 1.8690 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 47 -1 M END