PUBCHEM-ZINC06072976 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 0.2950 2.1860 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 0.6950 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -0.1260 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -1.6270 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -2.4290 2.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -2.8200 3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -3.6150 4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -4.0730 4.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -4.8270 4.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 -3.6020 3.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 -3.8820 2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -2.7950 2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -2.4510 1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -3.9800 5.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -4.6580 6.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -4.8920 7.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -5.6550 8.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -7.1140 10.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -7.5730 12.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -5.4520 12.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -4.9270 10.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -2.3540 3.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 2.4390 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 2.7540 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 2.5100 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 0.4810 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 0.4110 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 0.0970 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 0.1710 2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -1.8780 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -1.9100 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -3.6310 5.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -3.9350 8.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -5.4830 7.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -6.5690 8.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -5.0550 9.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -6.6440 11.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -7.9600 10.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -8.1250 11.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -8.2680 12.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -4.6100 12.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -5.8760 11.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -4.2600 10.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -4.4030 11.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -1.5050 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -6.0860 10.0550 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6880 -6.5570 9.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -6.4570 12.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -6.8050 13.6000 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 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 46 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 48 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 46 1 0 0 0 0 22 45 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 46 1 M END