PUBCHEM-ZINC05419775 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 0.1510 1.8450 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 0.3630 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.3300 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -1.7150 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -2.4100 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.7330 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -0.3470 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 0.3460 -2.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 0.0500 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 0.7280 -4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 0.4890 -5.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -0.4450 -5.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -1.1360 -4.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -0.8950 -3.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -1.6450 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -1.1690 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -2.4510 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -4.2180 -0.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -4.7200 -0.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -4.5320 1.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -4.4480 -0.6570 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.1180 -5.4370 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 2.3820 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 2.0570 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 2.2410 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 0.1970 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -2.2450 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 1.2280 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 1.4510 -4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 1.0290 -6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 -0.6390 -6.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -1.8660 -4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -3.2290 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -1.7760 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -2.8980 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -2.9640 -2.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -3.4700 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 21 -1 M END