MDPI-ZINC03847375 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.4230 1.1810 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -0.1970 -0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -0.6260 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 0.1400 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -0.4440 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -1.8000 3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -2.5640 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -1.9740 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.7510 -0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -2.4340 4.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -2.6320 5.5310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3370 -1.6640 5.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -3.2850 6.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -2.8070 7.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -3.3870 8.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 -4.4580 8.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -4.9180 8.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -4.3290 7.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -4.8690 7.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -3.8750 6.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 -4.9760 10.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 -6.0680 10.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -2.9790 8.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2070 -1.9150 8.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 1.8200 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 1.3670 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 1.4280 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 1.1930 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 0.1790 4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -3.6120 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -2.1450 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -3.3990 4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -1.7960 4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -1.9640 6.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -5.7390 9.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -5.7930 6.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -5.1230 7.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -4.3410 5.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -2.9900 6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -5.7800 11.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -6.9370 10.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 -6.3520 11.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -2.1780 7.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 -0.9890 8.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 -1.7450 8.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -3.4110 5.0770 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0450 -2.8240 4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -4.2220 4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 46 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 34 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 46 1 M END