PUBCHEM-ZINC04517578 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 1.9590 -2.6580 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -2.1300 -2.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -2.0950 -3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -2.8690 -2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -4.2180 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -4.9640 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -4.3870 -2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -3.0150 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -2.2450 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -0.8770 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.3080 -1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -1.0660 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -2.3930 -1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 -3.3300 -2.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3380 -2.4420 -1.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 -4.0440 -3.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -4.4660 -0.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -4.0460 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 -5.2370 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 -4.7980 2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 -5.9890 3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 -5.5500 5.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6970 -5.1020 5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8690 -6.7480 6.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -6.9570 6.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6390 -4.9540 5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -2.0630 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -2.6080 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -3.6940 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -3.1040 -3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -1.7010 -4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -1.4550 -3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -4.7000 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -6.0200 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -4.9830 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -0.2780 -1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 0.7450 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7870 -0.5910 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -5.4100 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -3.6800 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 -3.2500 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4690 -5.6020 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -6.0320 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -4.4320 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -4.0020 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 -6.3540 3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 -6.7840 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -7.5820 6.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 -4.5640 5.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 -4.2100 6.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -8.3360 7.0100 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 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 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 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 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 26 49 1 0 0 0 0 48 51 1 0 0 0 0 49 50 1 0 0 0 0 M END