PUBCHEM-ZINC05621402 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 0.0840 1.3090 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.0310 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -0.9240 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -0.1550 0.7820 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 1.5700 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 2.1780 0.1510 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8020 2.5180 -1.2260 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3310 3.5370 -1.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 1.7810 -1.7360 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3480 2.1950 1.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -0.6930 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -0.9870 -1.6330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9450 -0.0510 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -1.6520 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -2.9120 -1.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -1.7890 -2.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -2.0760 -3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -1.7010 -4.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 1.8820 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -1.8640 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.8330 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 3.1160 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -1.6220 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -0.0620 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -2.1250 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -2.7060 -4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -0.8390 -1.4640 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 27 -1 M END