PUBCHEM-ZINC05976974 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.6720 1.2240 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.0560 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.1270 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.1430 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.3420 2.7630 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -0.3940 4.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -0.5420 5.4840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5800 -1.2990 5.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -0.9050 6.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3920 -1.9780 6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -0.4050 7.8630 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3750 -1.1350 8.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 0.8640 7.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3070 0.9050 7.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 0.6980 5.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 2.1780 7.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 2.8160 6.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 4.0210 7.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 4.1610 8.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 3.0180 8.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 2.8990 9.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 4.0100 10.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 5.2480 9.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 6.4100 9.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -0.1570 8.8160 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4190 -0.2100 6.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.0050 7.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 2.1160 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 1.2780 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 1.2640 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -0.9190 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 0.7120 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -1.0570 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.0990 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -1.0070 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 0.7570 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -1.2450 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 0.5340 4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 2.3570 5.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 2.0090 9.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 4.0120 11.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 6.4820 8.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 7.1460 9.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 5.1490 10.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 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 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 44 2 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 25 -1 M END