PUBCHEM-ZINC04189165 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 0 0 0 0 0 0999 V2000 0.2160 -1.0320 -14.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.2750 -13.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 0.3060 -12.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 1.4090 -11.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 2.4370 -11.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 3.5570 -11.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 3.6550 -9.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 2.6340 -9.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 1.5040 -10.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 0.4660 -9.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -0.0940 -8.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -1.3370 -8.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -0.9740 -7.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -0.2840 -9.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 0.9180 -9.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -1.2660 -6.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -1.7200 -5.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -1.0350 -6.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 -1.0080 -7.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5440 -0.7550 -7.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 -0.6480 -6.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -0.8000 -5.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -0.7380 -4.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 -1.3640 -3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 -1.3000 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -0.6150 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 0.0100 -2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -0.0450 -4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 -0.5490 -0.4190 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0130 -1.0990 0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 0.0540 -0.1540 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7960 -0.6320 -8.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7520 -0.6650 -9.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 -0.5500 -10.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1300 -0.4030 -9.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1830 -0.3690 -8.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0180 -0.4770 -7.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3780 -0.2250 -7.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5390 -0.1130 -8.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -1.0960 -14.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -1.8760 -13.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -1.0570 -15.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 1.1190 -14.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 0.3380 -13.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 2.3630 -12.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 4.3580 -11.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 4.5320 -9.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 2.7140 -8.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 0.6500 -7.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -0.3690 -8.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -1.6900 -7.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -2.1200 -8.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 0.0600 -8.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -0.9660 -9.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 1.3770 -10.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 1.6470 -8.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 -1.1510 -8.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 -1.9000 -3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 -1.7870 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 0.5450 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 0.4470 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 -0.7810 -10.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8810 -0.5770 -11.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0400 -0.3130 -10.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0560 -0.4470 -6.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6370 -1.0100 -9.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4420 0.7590 -9.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4230 -0.0030 -7.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 43 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 7 8 2 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 36 2 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END