PUBCHEM-ZINC05167328 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.2830 1.4590 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.0200 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.4650 1.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -0.7750 -0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -0.3470 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -2.2440 -0.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0530 -2.6680 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -2.7420 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -2.4910 2.4220 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -2.8090 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 -2.6040 4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -2.8070 4.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5350 -3.1270 3.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 -2.6010 5.9410 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 -2.7160 6.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -2.3410 6.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -2.7860 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -1.9350 -2.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 2.0040 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 1.7570 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 1.7140 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -2.2100 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -3.8130 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 -2.1210 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -3.8330 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -3.3130 4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -1.5870 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -3.9880 -1.7080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 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 17 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 M CHG 1 28 -1 M END