PUBCHEM-ZINC03657057 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.4490 -0.6370 3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -0.3670 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 0.9000 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 1.9060 1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 1.6560 3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 0.3790 3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 0.0990 4.9340 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6220 -0.9090 5.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 0.8860 5.2930 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1880 3.2390 1.2740 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7050 3.3920 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 4.1270 1.9120 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8280 -1.4390 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -1.8130 1.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -1.9530 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -1.6100 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -2.8490 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -3.3500 -1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -3.0110 -0.7440 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1250 -3.8630 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -2.5190 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -1.3950 -1.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 -3.4770 -1.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 -3.2630 -1.4600 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8570 -2.5160 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 -2.8480 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4590 -1.3600 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 -0.5760 -0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -0.9290 0.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 0.0550 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 -1.5320 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 -4.5970 -1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 -5.6340 -1.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -1.6300 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 1.0820 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 2.4390 3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -0.7460 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.3630 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -2.6380 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -3.6020 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -2.8260 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -4.4220 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -4.4440 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5920 -3.0990 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1390 -3.3750 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4980 -4.4880 -2.5610 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 32 33 2 0 0 0 0 32 46 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M CHG 1 46 -1 M END