PUBCHEM-ZINC05562628 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -2.0620 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -2.8230 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -4.1330 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -4.9010 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -4.5900 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -5.9030 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -6.1430 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -7.4600 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -7.2230 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 -5.8180 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 -5.2100 0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 -5.1570 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 -3.7490 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1850 -3.1230 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3560 -3.8670 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3100 -5.2540 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1070 -5.9020 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6670 -3.1760 0.0850 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.7180 -1.8600 0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7820 -3.8770 0.0910 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5500 -3.1290 0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -6.7310 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -8.4240 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -7.9690 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -3.1680 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2340 -2.0440 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2270 -5.8230 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0730 -6.9810 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 30 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 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END