PUBCHEM-ZINC00452583 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 4.1880 1.7240 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 5.9910 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 6.6430 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 5.9580 3.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 7.9870 2.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 8.6200 4.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 10.0270 4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 9.8240 4.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 3.9710 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 3.9460 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 6.3090 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 6.2850 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 8.5340 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 7.9470 5.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 10.4810 3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.2790 5.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 9.9430 5.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 10.1450 3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 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