PUBCHEM-ZINC06425981 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.5800 0.7250 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -0.7480 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.9130 -1.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -1.0520 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -1.1850 -2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -1.1560 -3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -1.1900 -4.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -1.0400 -3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -0.9140 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.7930 -2.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.7910 -3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -0.9000 -4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -1.0350 -4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.8870 -5.9690 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8540 -1.7900 -6.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 0.0250 -6.1800 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6570 -0.6700 -3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 -1.3610 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 -0.4570 -1.1180 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3600 1.2720 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 1.2020 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 0.8350 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.1830 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -1.2970 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -1.0510 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -1.1300 -5.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 0.3180 -3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -1.4460 -4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -0.7930 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.4190 -2.2860 O 0 0 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 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 2 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 19 -1 M END