PUBCHEM-ZINC00568675 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -2.6910 -0.3560 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -0.6580 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -0.5820 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -0.9590 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -1.3480 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -1.3590 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -1.0250 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -0.9460 -2.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -1.5500 -3.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -2.9870 -3.8880 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.7830 -4.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -1.0630 -6.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -2.1150 -6.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 0.0690 -7.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 1.2450 -7.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 2.3200 -7.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 2.2210 -8.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 1.0450 -8.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -0.0410 -7.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -1.1680 -7.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -1.9290 -9.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -0.0820 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 0.9170 2.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8230 0.7070 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -0.9490 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -0.6350 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -0.9250 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -1.6120 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -1.5870 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.3780 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 0.1190 -4.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 1.3300 -6.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 3.2360 -7.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 3.0630 -9.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 0.9840 -9.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -2.0920 -9.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -2.9060 -9.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -1.4460 -10.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -0.6860 3.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 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 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 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 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 2 0 0 0 0 M CHG 1 23 -1 M END