PUBCHEM-ZINC04684490 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.0590 1.0570 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.2760 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -0.6340 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 0.3490 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 1.6820 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 2.0390 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 3.3950 0.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 4.0530 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 3.4690 -1.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 5.5050 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 6.1910 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 5.4270 1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 3.9780 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 3.3280 2.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -0.0320 -1.4760 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1710 -1.0280 -1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 0.6510 -2.4140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7820 -1.9840 -0.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -3.0220 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -4.4010 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -5.4690 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -5.9740 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -7.0340 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -7.7160 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -6.6300 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -5.8850 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 1.3360 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -1.0400 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 2.4460 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 5.9880 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 5.5810 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 6.1780 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 7.2200 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 5.8540 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 5.5010 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -2.2330 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -2.9130 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -2.9200 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -4.5100 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -4.5030 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -5.6080 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -6.5790 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -7.7770 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -8.3430 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -8.3260 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -5.9340 2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -7.0900 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -6.5370 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -5.0000 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 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 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END