PUBCHEM-ZINC05503389 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -1.2230 -0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -0.2170 1.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -0.7240 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -0.2300 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 1.1920 2.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -0.2250 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -0.8440 -3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -1.4570 -2.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -1.2360 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -1.7380 -0.0690 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1650 -1.4710 1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -2.4190 -0.2260 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 0.3410 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -0.3630 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -1.8140 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 -0.6790 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -0.5160 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 1.5750 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 0.3570 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -0.8470 -4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END