PUBCHEM-ZINC04530267 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 30 0 0 1 0 0 0 0 0999 V2000 0.2310 1.4020 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.1090 -0.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6870 -0.5880 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.5550 0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7300 -0.3100 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -2.0610 -0.2620 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8090 -2.6150 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -2.6310 0.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7080 -2.2290 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -4.1630 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -4.8490 0.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -4.6570 -1.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -6.0680 -1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -6.3290 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -5.2900 -2.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -2.3130 1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -2.2550 -1.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -1.7940 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 0.1650 -0.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -0.2390 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.5690 -1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -0.0450 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 1.6410 -0.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 2.6060 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 1.9120 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 1.8110 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -4.0090 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -6.6150 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -6.4210 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -3.0180 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -7.5480 -2.7590 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 31 -1 M END