PUBCHEM-ZINC01286543 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7090 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.1050 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.6990 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9860 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6690 -1.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -3.0620 2.6100 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -4.7290 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -5.7450 3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -6.2270 3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -7.1590 4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -7.6080 5.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -7.1270 4.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -6.1980 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -8.6060 6.1540 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8650 -9.0290 6.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -9.0020 6.5930 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1940 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.4960 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -4.8760 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -4.8520 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -5.8760 3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -7.5350 4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -7.4780 4.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -5.8250 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 8 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END