PUBCHEM-ZINC06007555 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 1.3200 1.3870 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.3340 0.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6450 0.8400 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.6240 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.4580 -2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.4430 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.6670 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -1.9880 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -2.2740 3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -1.2280 4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 0.0960 4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.3820 3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.6330 2.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 2.7310 3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 -1.5200 5.5220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.7070 5.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -0.5620 6.1890 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0900 -3.1040 1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -4.2710 1.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 0.9230 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 2.0060 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 2.0410 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -3.3060 3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 0.8880 4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 3.6430 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 2.8180 3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 2.6550 4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -2.8620 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -1.4670 -0.8180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 29 -1 M END