PUBCHEM-ZINC05985540 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 60 0 0 1 0 0 0 0 0999 V2000 -0.8060 2.6780 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 1.2660 -0.9240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2830 1.1850 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 0.9120 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 0.1380 1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 1.5450 0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 1.3330 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 2.3080 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 2.0720 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 3.2320 2.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 4.3540 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 0.2780 -0.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 0.0580 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 0.6520 -3.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -1.0130 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 -1.0540 -2.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -1.8410 -3.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 -2.5980 -2.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 -1.7370 -4.3190 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3530 -1.9600 -5.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6890 -0.3500 -4.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3430 -0.1520 -5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 1.2430 -5.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9530 1.5290 -4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3340 1.3190 -3.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 -0.0710 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5770 -3.5980 -5.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 -3.4070 -6.4420 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7850 -3.9760 -7.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -2.6920 -6.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 -4.5870 -4.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6440 -4.7610 -3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8750 -5.1760 -5.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 3.4180 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 2.9380 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 2.7780 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 2.1610 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 1.4420 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 0.2970 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 2.1880 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 3.3360 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 2.2060 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 1.0530 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -0.2550 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -1.9910 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -0.7830 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -0.4610 -3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 0.4080 -4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6010 -0.3010 -6.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 -0.8920 -5.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1520 1.9950 -5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4470 1.3330 -6.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3190 2.5580 -4.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8220 0.8700 -4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5630 2.0800 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0990 1.4600 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5150 -0.8210 -3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 -0.1460 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0030 -2.8480 -4.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0970 -3.1760 -3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 59 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 28 1 M END