PUBCHEM-ZINC05503529 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 0.0200 1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -0.6000 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -0.2970 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -1.0990 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -1.1270 2.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 -2.2060 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -1.7950 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2780 -0.5000 1.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -0.0920 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 1.2770 2.6840 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5700 1.5460 2.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 2.1360 2.7590 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 -1.9330 -0.2470 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -0.2720 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.7310 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -0.4340 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -2.1040 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 -3.1970 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 -2.4020 1.2610 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 6 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 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 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