PUBCHEM-ZINC04648741 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 -0.0250 1.5190 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0110 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -0.5370 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -1.2960 0.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.7590 -0.5710 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6940 0.1730 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -1.7610 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -1.7060 -2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 -2.6240 -3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -3.5970 -2.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 -3.6510 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -2.7300 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 -4.5810 -3.7540 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9590 -4.5340 -4.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 -5.4380 -3.2130 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.5680 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.9000 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.8740 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.8720 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 0.2960 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -1.1780 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -0.9460 -3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -2.5820 -4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 -4.4120 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -2.7700 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -0.2100 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -1.6580 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -0.2340 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.5120 -1.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -1.3640 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 29 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END