PUBCHEM-ZINC03870084 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 0.0580 1.4290 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -0.0260 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -0.4880 -1.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -0.7450 0.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -2.1800 0.1530 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2370 -2.6880 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -2.4550 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -2.1250 -2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -2.6420 -2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 -1.9450 -3.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -2.7760 1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -1.9060 2.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 1.8440 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 1.9660 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 1.5590 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -0.3200 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -3.5120 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -1.8840 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -1.0450 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -2.6030 -2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -3.7200 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -4.0330 1.6610 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 M CHG 1 22 -1 M END