PUBCHEM-ZINC05528026 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.5760 1.4760 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -0.0220 -0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1950 -0.5830 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -0.3350 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -1.8380 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -2.2600 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8330 -1.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -0.4240 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -2.9190 -2.4060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.1940 -3.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -4.0640 -2.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -3.3570 -2.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -4.2440 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -3.7920 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -4.6950 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -6.0480 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -6.5010 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -5.6020 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -6.0870 -2.6570 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5430 -7.2670 -2.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -5.3080 -3.5920 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3510 2.0360 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 1.6980 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 1.7610 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 0.2080 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -0.0280 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -2.0630 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.3820 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -1.7860 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -3.3440 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -0.2960 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 0.2000 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -2.7360 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -4.3440 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -6.7530 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -7.5580 -0.4190 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 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 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 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END