PUBCHEM-ZINC02158573 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 0.2810 1.8240 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 0.3140 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.3160 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -1.6490 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -2.2680 -0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -2.3730 -2.6760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7060 -2.0900 -2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -3.8860 -2.4500 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0230 -4.4100 -3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -4.2790 -2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -3.8520 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -2.7680 -4.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -2.0070 -3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -1.0430 -4.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -4.5900 -4.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -5.3050 -5.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -5.9290 -5.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -5.7370 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -4.7480 -3.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -4.2520 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -5.0980 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -5.4340 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 -4.9230 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -4.0770 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -3.7450 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 -5.2820 2.4060 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7880 -6.0270 3.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -4.8320 2.6290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2730 2.2300 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 2.0200 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 2.2980 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 0.1190 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -0.0920 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -5.3590 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -3.7860 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -2.4870 -5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -5.3700 -5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -6.5310 -6.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -6.1570 -4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -5.4970 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -6.0950 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -3.6780 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 -3.0870 -1.6440 H 0 0 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 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 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END