PUBCHEM-ZINC05381293 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -0.0430 -2.7580 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -2.2660 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -2.3230 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -0.9200 -1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -0.7440 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -0.1250 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 0.1720 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 0.7950 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 1.0690 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 0.7300 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 0.1130 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -0.1630 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 0.2570 1.2460 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3100 -0.0530 1.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 0.8800 2.2350 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1040 -1.2300 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -1.9890 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 -2.4400 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -2.1410 -3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 -1.3880 -4.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 -0.9360 -3.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.7180 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -2.1210 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -3.7850 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -2.9020 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -1.6860 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -1.9720 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -3.3500 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.0600 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 1.5500 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6340 0.9470 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -0.1490 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -0.6400 2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -2.2230 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -3.0280 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -2.4960 -4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -1.1580 -5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -0.3530 -3.5790 H 0 0 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 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 13 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 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END