PUBCHEM-ZINC06425533 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.1420 1.1110 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 0.0240 0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -0.6100 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -0.1930 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -0.8360 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -1.9010 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -2.3220 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -1.6740 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -2.0800 -1.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -3.1780 -2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 -2.5510 0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 -1.8340 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -0.1230 0.1300 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 -2.4640 0.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4880 -1.7010 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3870 -2.2600 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4480 -3.7220 -0.7300 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.6080 -4.3380 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8020 -3.5900 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9880 -4.2440 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0110 -5.6490 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8630 -6.3500 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6650 -5.7110 -0.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8490 -6.2270 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1920 -4.4850 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 -3.9260 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 1.5260 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 1.8830 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.7530 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 0.6350 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -0.5090 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -3.1500 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -2.9190 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -3.4000 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -4.0540 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 -3.5170 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9900 -1.8020 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2760 -0.6500 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3890 -1.8420 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9710 -2.0020 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7720 -2.5100 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9090 -3.6870 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9520 -6.1720 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8950 -7.4300 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4050 -5.5360 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6900 -4.3850 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 -4.3450 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7080 -4.1890 1.3640 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 17 1 M END