PUBCHEM-ZINC05631634 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 35 0 0 1 0 0 0 0 0999 V2000 0.0010 1.9990 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 0.6290 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.3760 -1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 0.4460 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 1.3860 -2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 2.7110 -2.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 1.0800 -3.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 1.9380 -3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2610 1.0830 -3.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 -0.1390 -4.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3940 1.8150 -4.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6820 1.2800 -4.6660 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.8460 0.3050 -4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7380 1.1670 -6.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 0.0610 -6.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0480 -0.1470 -8.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5940 0.6550 -8.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5340 -1.3250 -8.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6330 -1.5380 -9.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0600 -1.9910 -8.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8370 2.2510 -4.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4320 3.4070 -3.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 1.9010 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 2.5010 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 2.5870 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -0.5970 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 3.1760 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 0.0840 -3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 2.5780 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7640 2.5630 -4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4370 2.8230 -4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7700 0.9700 -6.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4570 2.1250 -6.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7860 0.3090 -6.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0480 -0.8830 -6.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0040 1.7750 -4.3180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 36 -1 M END