PUBCHEM-ZINC06193190 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 74 0 0 0 0 0 0 0 0999 V2000 -1.9300 1.6130 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 0.4060 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 0.9580 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 1.1060 -2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -1.4060 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -2.2060 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -3.6900 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 -4.4900 -0.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -5.8750 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -6.8730 -0.6280 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -6.3580 0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -5.7570 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 -6.7240 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2310 -6.9240 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0510 -7.8050 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5620 -8.4920 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2410 -8.2910 -2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 -7.4100 -2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4690 -9.3180 -2.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0200 -10.0310 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -7.5010 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4750 -7.0950 2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 -7.5450 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3040 -7.1200 4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5810 -7.5620 4.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0980 -7.1040 5.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3970 -6.2470 6.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 -5.7950 6.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5940 -6.2410 4.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -5.8070 4.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -5.1810 5.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -6.1800 3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -5.7610 3.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0920 -5.9210 7.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3080 -6.6700 7.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3190 -7.4220 6.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 1.8250 2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 2.5110 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 1.4300 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 0.5710 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.4580 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 0.5120 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 1.9430 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 1.7720 -3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 0.1490 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 1.5390 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.7230 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -1.5160 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -2.0680 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -1.8510 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -3.8640 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -4.0410 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -4.0070 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5270 -5.3340 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 -4.9230 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6450 -6.4000 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0820 -7.9530 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8160 -8.8010 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -7.2640 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 -9.3450 -4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2020 -10.7130 -3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8560 -10.6360 -4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -8.3140 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -7.8900 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2440 -8.2270 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1560 -8.2360 3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 -5.1200 6.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4360 -7.3650 8.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1530 -5.9710 7.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 0.0740 -0.5940 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5320 0.2780 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 2 70 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 70 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 70 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 53 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 54 1 0 0 0 0 12 55 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 56 1 0 0 0 0 15 16 1 0 0 0 0 15 57 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 19 20 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 22 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 23 2 0 0 0 0 22 32 1 0 0 0 0 23 24 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 36 1 0 0 0 0 27 28 2 0 0 0 0 27 34 1 0 0 0 0 28 29 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 70 71 1 0 0 0 0 M CHG 1 70 1 M END