PUBCHEM-ZINC05557904 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 1.3790 1.6510 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 1.2400 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 1.1870 3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 2.4570 3.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 2.9750 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 3.0180 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 3.5040 5.1620 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 4.5330 5.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 2.7040 6.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 4.2820 4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 5.4380 4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 6.0590 3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 5.5480 4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 4.4060 5.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 3.7720 5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 6.1200 4.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 7.2100 3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 7.9080 2.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 7.5580 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 8.9110 3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8260 9.2810 3.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 8.2860 3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4610 6.9300 3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1120 6.5670 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 8.6690 3.3700 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4960 9.8780 3.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0680 7.7610 3.3430 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7910 0.6400 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 2.3760 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 1.9130 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 1.9620 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 0.2510 2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 0.3840 3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.9310 4.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 2.3170 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 3.9720 2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 3.2490 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 3.7510 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 5.8720 3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 6.9560 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 3.9980 5.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 2.8970 6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 5.6800 4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7150 9.6870 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0810 10.3380 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2190 6.1480 3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 5.5110 3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 1.6660 1.4110 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4090 0.9760 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 48 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 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 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 48 1 M END