PUBCHEM-ZINC05724166 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 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 3.5370 0.8090 -0.0270 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1900 -0.2190 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 1.8890 -0.0270 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8270 -1.7560 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -2.1970 1.4080 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8190 -1.4840 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -3.5840 1.3860 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7310 -3.5350 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -4.0440 2.8260 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7390 -3.3670 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -4.0340 3.5920 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8860 -4.3080 4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -2.6300 3.5280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7720 -1.9220 4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -2.2510 2.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -2.6260 4.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -2.7890 3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -2.7190 4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -2.5190 5.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -2.4680 5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -2.2670 6.5560 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8210 -2.2340 6.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -2.1350 7.7270 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8070 -4.9720 2.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -5.3680 2.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -4.5080 0.7330 O 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 1.0760 -2.4180 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 -1.8000 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -2.9430 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -2.8070 4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -5.8830 3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -5.7240 3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -5.4090 0.6830 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 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 M CHG 1 6 1 M CHG 1 8 -1 M CHG 1 26 1 M CHG 1 28 -1 M END