PUBCHEM-ZINC00985383 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.2000 1.2240 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -0.2480 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -1.0390 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -2.3360 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -2.2910 -0.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -1.0060 -0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -3.3500 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -4.6530 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -5.6620 -2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -5.3640 -3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -4.0640 -3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -3.0610 -2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -6.4200 -4.4450 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2000 -7.5620 -4.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -6.1080 -5.5960 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3520 -3.5310 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -0.4640 2.8970 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -1.6440 3.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.1880 3.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 0.7970 2.8180 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.3100 0.4560 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 1.7340 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 1.5460 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 1.5580 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -4.9170 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -6.6620 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -3.8060 -4.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -2.0540 -3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -4.0680 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -4.2120 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -3.2410 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 20 -1 M END