PUBCHEM-ZINC05919615 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 -0.0030 1.1770 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -0.2590 -0.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1000 -0.9190 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.5690 1.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7430 -0.1260 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -2.1160 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -2.6980 2.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.0820 2.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 1.2120 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 2.0630 2.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 1.5880 4.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 2.8140 4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 3.2670 5.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 2.5080 6.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 1.2800 5.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 0.8230 4.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 3.0970 7.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 4.2750 7.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 2.2890 8.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 2.7580 9.5630 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4100 3.4510 10.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 3.4220 9.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0700 3.4250 9.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 4.8650 8.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 2.6980 8.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 2.3790 7.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 1.5750 10.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 0.4320 9.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -0.4700 0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -0.1940 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 1.4380 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 1.3040 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 1.8920 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -0.8300 2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 3.4400 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 4.2310 6.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 0.6600 6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -0.1240 4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 1.2850 8.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 4.9250 7.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1820 5.3180 8.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 5.4660 9.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -2.5920 0.2460 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8080 1.8900 11.6520 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 8 9 1 0 0 0 0 8 34 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 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 -1 M END