PUBCHEM-ZINC04226164 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 1 0 0 0 0 0999 V2000 -0.0250 1.0790 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -0.3020 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -0.8790 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -0.0200 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.3670 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 1.9220 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 1.9190 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 0.8540 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -0.3020 0.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -1.2320 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 3.3720 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 3.9770 1.6300 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3220 3.4150 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 5.3880 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 6.3410 1.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 4.2220 2.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 3.2900 3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 3.4160 3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 4.4800 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 4.5150 4.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 3.4900 4.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 2.4380 5.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 2.3810 4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 1.3330 5.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 1.3090 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 2.2300 3.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 1.5090 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -0.9410 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -1.9530 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 2.9990 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 0.8280 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 3.4650 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 3.9360 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 5.1930 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 5.2880 2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 5.3380 3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 3.5030 5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.6370 5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 0.4580 4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 5.4140 0.7130 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 26 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 M CHG 1 40 -1 M END