PUBCHEM-ZINC00538706 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.7620 1.9810 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 0.4930 -0.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0240 0.2860 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 0.0930 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.0670 2.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.7460 2.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -0.3180 1.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5920 0.6910 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.3250 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -1.2680 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 0.7790 3.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 1.5280 3.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.6040 4.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -0.1020 4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 1.3470 5.7360 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4910 1.6360 5.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 2.6010 5.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 3.4090 7.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 3.5390 4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 0.4120 6.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -0.4120 6.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 2.5880 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 2.2100 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 2.2960 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -0.9300 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 0.7470 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -1.7860 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -0.6840 3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 -1.2960 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -0.9560 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -2.2840 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 2.2800 6.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 3.6890 7.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 4.3290 7.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 2.8460 8.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 3.0650 3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 4.4440 4.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 3.8480 4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 0.5660 7.9120 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 39 -1 M END