PUBCHEM-ZINC05028143 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 2.3120 -0.0240 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 3.5890 0.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 1.4420 0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 2.5710 -1.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 3.4120 -2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 3.7940 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 4.8350 -4.7730 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 5.1690 -6.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 5.9570 -7.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 6.2180 -8.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 5.6950 -8.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 4.9100 -7.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 4.6500 -6.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 6.0250 -9.7100 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7530 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4980 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 2.1650 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 2.8610 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 4.3150 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 4.3440 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 2.8910 -4.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 6.3650 -7.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 6.8300 -9.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2840 4.5030 -7.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 4.0420 -5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END