PUBCHEM-ZINC04533711 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 35 0 0 1 0 0 0 0 0999 V2000 1.0550 2.0990 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 0.6710 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 0.3570 0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -0.2350 -1.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -1.6730 -1.1070 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4220 -1.9470 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -1.9960 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -1.1960 0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -2.5010 -2.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4030 -3.5410 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -2.5060 -3.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7610 -2.9170 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -3.3500 -4.3110 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8600 -2.8240 -5.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -3.6250 -4.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 -4.2320 -5.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -4.5590 -6.2580 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4230 -5.2540 -7.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 -3.2450 -6.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -4.5970 -4.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -4.4270 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -1.1790 -3.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.6220 -2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -1.9470 -3.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -2.9020 -3.8610 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -2.0210 -4.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -3.9670 -4.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 2.3500 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 2.2520 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 2.7580 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 0.0790 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -3.0570 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 -2.6880 -4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 -4.3030 -3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -5.3940 -5.1750 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1510 -3.3240 -2.6240 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 36 1 0 0 0 0 M CHG 1 35 -1 M CHG 1 36 -1 M END