MDPI-ZINC03845871 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 1.5490 -0.5350 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -0.1040 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -0.3800 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -0.7950 1.8440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9460 -0.5880 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.3300 3.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7540 -0.9640 4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -1.3610 5.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -1.9950 4.9570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1580 -2.1530 5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -1.0840 3.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -0.7110 2.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 0.1790 4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -1.8030 3.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -3.3870 4.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -3.4010 3.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 1.2020 3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -2.2180 1.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -2.6450 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -1.6020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 0.0240 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -0.3390 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 0.9800 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -1.4520 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 0.1110 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 0.0170 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -1.8610 4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -0.2920 4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -2.0480 6.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -0.4760 6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 0.7510 5.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 0.8600 3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -0.0730 5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -2.1760 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -1.1240 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -2.6410 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.6890 2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 1.5390 4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 1.5760 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -4.3550 5.1420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 27 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 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 M CHG 1 40 -1 M END