PUBCHEM-ZINC02604794 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 0.3160 0.9660 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 1.1200 2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 3.1100 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 3.6030 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 5.0360 -0.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 5.6320 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 5.0670 -0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 7.1430 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 7.6750 -0.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 7.6730 -1.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 8.9850 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 9.3740 -1.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 10.7340 -1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 11.3620 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 10.2090 -1.6070 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.1170 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 1.3690 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 1.1990 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 1.4770 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 0.0280 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 1.5260 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 3.4880 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 3.4390 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 3.3810 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 3.1080 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 5.6570 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 7.0420 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 11.2230 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 12.4060 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 1.5890 0.9620 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6800 1.2430 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 30 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 30 1 M END