PUBCHEM-ZINC04096306 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 0.5130 -0.2890 1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.0880 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -0.7060 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.6020 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 1.9780 1.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 2.0030 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -0.3060 -1.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0470 -1.3900 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 0.3950 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.4480 -1.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -0.2550 -0.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 0.2940 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 -0.3550 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 0.2900 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 1.0830 0.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2560 -0.0940 2.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 0.4000 2.8660 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2510 0.4860 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4170 1.7180 3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1280 3.1800 2.5810 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6130 2.5190 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1220 -0.5780 3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 -1.3920 4.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 0.0150 -2.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -1.3340 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 0.3420 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -0.1720 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -0.5180 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -0.4390 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -1.7850 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 2.2130 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 1.8780 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.1450 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 0.1350 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 1.3770 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -0.2630 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 -1.4240 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8390 -0.7960 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5790 1.6610 4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3150 1.9410 4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 0.8770 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3480 -0.4510 4.1960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 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 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 24 41 1 0 0 0 0 M CHG 1 42 -1 M END