PUBCHEM-ZINC06862860 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3720 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 1.2160 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0230 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 1.3990 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 3.5180 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 4.6540 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -0.7050 -0.0350 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7530 -0.0860 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -1.9230 -0.0400 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2360 -2.4470 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -2.8750 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -4.3970 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -4.8250 0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -6.5870 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -7.2680 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -8.6440 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -9.3580 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -8.6710 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 -7.2950 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -6.5670 0.0260 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9620 -7.1860 0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -5.3490 0.0320 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3790 -10.7900 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -11.9260 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9000 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 1.9480 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -2.4660 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -2.4570 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -4.8060 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -4.8150 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -6.7160 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -9.1720 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -9.2200 -0.0010 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 3 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 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 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 3 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 22 1 M CHG 1 24 -1 M END