PUBCHEM-ZINC06067683 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.3190 1.7270 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.1990 0.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7190 -0.2680 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -0.5350 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 0.3410 -0.3140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3910 1.3510 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 0.0060 -1.5890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7620 0.9240 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.4590 -1.2010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4790 -1.5400 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -0.3380 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.7230 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -0.3780 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -0.5220 0.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -1.0950 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -1.1440 -2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.4640 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 0.4660 -0.5930 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0530 0.2290 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 0.2300 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 -0.8110 -0.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7330 -1.8100 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 -0.5730 -1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3840 -0.6810 -0.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3080 -2.0290 -0.7420 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6360 -1.5300 -1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 -2.5370 0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 1.9200 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 2.2670 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 2.0350 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 2.0990 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 0.4840 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -1.1840 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 -0.3440 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -1.5950 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 0.6840 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -1.0070 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -0.1500 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -1.7970 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -2.0920 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -0.9670 -3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 -1.7940 -3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 0.9830 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 -0.7510 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 1.2250 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0650 0.0080 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5200 -1.3750 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 0.3430 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 2.6510 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 2.1130 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 2.1390 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 -2.8760 -1.7630 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M CHG 1 52 -1 M END