PUBCHEM-ZINC03138916 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 0.8020 1.2080 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -0.2870 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -1.0030 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -2.3730 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -3.0320 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -2.3090 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -0.9390 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -4.4170 -0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -5.0840 -0.9620 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -6.4900 -0.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -4.3300 -0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -4.7870 -2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -4.0160 -3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -3.7840 -4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.3210 -5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -5.0900 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -5.3200 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -6.1400 -2.2680 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3810 -6.7150 -2.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -6.2400 -1.0800 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4740 -4.0720 -6.6740 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2420 -3.3940 -7.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -4.5450 -7.1170 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8660 1.4400 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 1.6560 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 1.6080 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.4910 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.9320 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -2.8180 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.3760 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -4.9890 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -3.5970 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -3.1820 -5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -5.5100 -4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 21 1 M CHG 1 23 -1 M END