PUBCHEM-ZINC05514596 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3810 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0130 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 2.1690 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 1.5370 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0400 2.2870 -0.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8260 3.3560 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 1.9350 -1.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2190 2.1120 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 2.7950 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 3.9660 -2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 4.7550 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3370 4.3740 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 3.2040 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2160 2.4170 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 5.2190 -1.5690 N 0 3 0 0 0 0 0 0 0 0 0 0 11.5380 6.2490 -2.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5600 4.8830 -0.9780 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2160 0.5580 -1.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 1.9270 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 1.1260 1.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -0.6560 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -1.7660 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 3.2490 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1610 4.2630 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1790 5.6690 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2460 2.9060 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 1.5050 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 0.3280 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -0.8460 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 2.4960 1.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 2.2340 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 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 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 25 36 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END