PUBCHEM-ZINC05729245 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3420 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.3820 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 0.7470 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -1.7560 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -2.2260 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -3.6600 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -4.1110 -2.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -4.3760 -3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -4.8280 -4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -5.1190 -5.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4380 -5.5490 -6.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -5.6850 -7.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -5.4000 -6.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -4.9800 -5.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -5.5520 -7.7320 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9980 -5.9260 -8.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -5.3030 -7.2950 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7550 -5.7500 -6.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4720 -5.4800 -5.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 -5.0890 -4.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 -4.7060 -3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5240 -5.2160 -3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3910 -4.7940 -4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9730 -5.5830 -5.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.9650 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.6600 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 0.7930 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -1.7890 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -2.4090 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -2.1920 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -1.5730 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -3.6940 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -4.3140 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 -4.2660 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -6.0160 -8.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0710 -3.6210 -3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 -5.1600 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9320 -4.7900 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 -6.3030 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2590 -3.7270 -4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4380 -4.9960 -4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2580 -6.6280 -5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 -5.1630 -6.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -4.7100 -5.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -3.7920 -5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 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 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END