PUBCHEM-ZINC03870136 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.1830 1.0370 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.2660 -0.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -0.4550 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 0.7620 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 1.7020 -0.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 3.1350 -0.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9170 3.3230 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 3.7060 1.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5660 2.9930 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 4.9380 1.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3450 5.8100 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 5.1880 -0.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9420 5.6460 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 3.8410 -0.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 5.9770 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 6.7010 -1.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 8.2640 -1.2020 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 8.1430 -0.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 4.6050 2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 3.9540 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 4.0220 1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 4.5870 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 1.0820 0.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.7660 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -1.9100 0.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.7860 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -4.2100 0.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2210 -4.3000 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -5.0010 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -4.7470 2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -4.8520 2.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -4.8110 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -4.8560 -2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 1.5470 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 5.3090 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 6.6740 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 0.3440 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 2.0420 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.5260 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -4.7790 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -6.0790 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 8.7240 -2.6510 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6790 8.9660 -0.2640 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2690 -4.5100 2.4420 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9200 -5.1910 -1.4440 O 0 5 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 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 30 31 2 0 0 0 0 30 44 1 0 0 0 0 32 33 2 0 0 0 0 32 45 1 0 0 0 0 M CHG 1 42 -1 M CHG 1 43 -1 M CHG 1 44 -1 M CHG 1 45 -1 M END