PUBCHEM-ZINC05729898 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.6930 1.7370 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 0.3920 0.2720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0440 0.5510 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -0.2270 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 0.5200 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 1.1120 -0.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -0.5490 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -1.4760 1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -0.2070 -0.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -0.8070 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -1.9150 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -2.4600 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -1.9020 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 -0.7970 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.2330 -1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 0.9700 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 1.4260 -2.3700 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1380 2.4470 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 2.1930 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 1.6140 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.3220 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -1.2460 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 0.6080 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -2.3760 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -3.3210 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 -2.3250 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 -0.3650 -3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 0.4370 1.8290 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7520 1.4320 -3.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 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 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 29 2 0 0 0 0 M CHG 1 17 -1 M CHG 1 28 -1 M END