PUBCHEM-ZINC05592402 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.1310 1.3460 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.1570 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.5230 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.9460 1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -2.5050 2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -1.7760 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -2.4370 4.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -3.8380 4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -4.5630 3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -3.9110 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -4.5560 1.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -5.9820 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -6.4490 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -4.4710 5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -3.7890 6.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 -4.6410 7.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -5.9790 7.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -6.1790 5.7780 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -7.0930 8.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5100 -6.8240 9.1150 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1840 -4.0150 8.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 1.8000 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 1.5790 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 1.8110 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.5960 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -0.6080 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -0.1190 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -0.1070 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.6910 3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -1.8420 5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -5.6460 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -6.3610 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -6.3650 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -7.5410 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -6.0700 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -6.0650 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 -4.3310 9.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -4.2760 8.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 -2.9230 8.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 -8.2710 7.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 20 -1 M END