PUBCHEM-ZINC05573495 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.2830 1.6980 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 0.1800 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -0.3680 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -0.6970 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -0.6080 -2.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -1.1040 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -1.3340 1.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2750 -0.9240 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -0.5930 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -0.2540 2.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -3.1160 1.3800 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -3.6190 0.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -2.9760 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -4.3130 3.8830 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9640 -4.7900 3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -5.2470 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -4.0230 5.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -2.9510 5.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -4.9960 6.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -6.2560 5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 -6.5890 7.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -6.0850 8.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -4.8250 7.6650 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2260 -3.9270 7.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -4.7320 8.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -5.5170 7.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 2.0920 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 2.0340 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 2.1320 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.2270 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -0.1300 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.2630 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 -1.9780 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -2.5960 3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -2.2360 3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -4.7780 3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -6.1770 4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -5.5190 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 -6.1790 4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -7.0020 5.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -6.0320 6.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -7.6550 7.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 -5.8670 9.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -6.8540 8.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -3.9060 9.2910 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 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 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 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 23 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 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 45 -1 M END