PUBCHEM-ZINC00001557 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -5.0940 -3.8940 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -2.7420 1.6650 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9500 -3.2180 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -1.9040 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 -1.4080 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -0.5350 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -0.1480 -2.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -1.0260 -3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -1.3330 -4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 -2.2270 -5.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -2.8030 -5.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -2.4860 -5.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 -1.5840 -3.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6430 -1.1980 -3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0490 0.2210 -3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 1.2720 -3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 1.0760 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 2.1620 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 3.4310 -1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 3.6320 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6380 2.5710 -3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -1.9570 2.0680 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7640 -4.5160 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -3.5410 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -4.4790 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -3.8030 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -2.3640 3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -3.8400 3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -1.0500 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -2.4890 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 -2.2630 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -0.8230 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 0.3590 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -1.0960 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -0.8790 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -2.4740 -5.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -3.5050 -6.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -2.9390 -5.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4300 -1.8730 -3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 -1.3040 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0890 0.3380 -4.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0480 0.3910 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 2.0010 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 4.2620 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 4.6260 -2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6080 2.7420 -3.5270 H 0 0 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 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 M CHG 1 2 1 M CHG 1 22 -1 M END