PUBCHEM-ZINC04557258 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 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 0.0230 -0.6990 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0780 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7730 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0660 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.0790 -2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 0.3580 -2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 1.1230 -4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 2.5060 -4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 3.2170 -5.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 2.5490 -6.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 1.1540 -6.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 0.4430 -5.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.0640 -5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 0.4540 -7.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.1010 -8.8990 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3130 -0.7900 -10.1290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2900 3.3250 -7.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 3.2420 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.8070 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.2050 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -5.3410 -0.0270 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0930 -6.7510 -0.0350 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0640 -2.8340 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1600 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5100 -3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.0240 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 0.9460 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -0.5870 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 4.2970 -5.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -1.4450 -5.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -1.4100 -6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -1.4270 -4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.5260 -8.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 2.7420 -8.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 4.2680 -7.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 3.4340 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 4.1900 -3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 2.6370 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -2.9990 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.2040 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -3.7540 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -3.0300 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -3.7790 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -2.2390 3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 3 0 0 0 0 24 25 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M CHG 1 18 1 M CHG 1 19 -1 M CHG 1 24 1 M CHG 1 25 -1 M END