PUBCHEM-ZINC02049819 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.6170 1.3150 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -0.1520 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -0.6570 0.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -0.8300 -1.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -2.2470 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -2.8630 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -4.3780 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -4.7880 -4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -6.4740 -3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -7.0230 -5.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -8.3890 -5.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -8.7150 -5.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -10.1610 -5.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -10.9310 -4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -12.2930 -4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -12.9130 -5.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -12.1670 -6.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -10.7850 -6.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -10.1060 -8.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -8.6210 -8.5780 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -7.4770 -7.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -7.6470 -6.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -6.7770 -5.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -5.7290 -5.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -5.5430 -6.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -6.4150 -7.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 1.6900 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 1.4940 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 1.8470 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -2.4620 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -2.6500 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -2.5900 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -2.4110 -2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -4.6880 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -4.7910 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -5.3300 -3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -3.7180 -4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -5.1520 -5.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -6.5340 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -7.0180 -3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -6.3120 -5.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -7.1260 -5.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -9.1870 -4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -10.4670 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -12.8660 -3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 -13.9730 -5.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -12.6770 -7.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -10.8210 -8.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -9.8830 -8.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -6.9150 -4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 -5.0560 -4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -4.7260 -7.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -6.2670 -8.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -5.0010 -3.7170 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1050 -4.5250 -4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 54 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 54 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END