MDPI-ZINC03846649 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 -0.4270 0.9570 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -0.4610 -0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -0.8010 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 0.0650 1.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -2.2140 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -2.5630 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -3.8610 2.6800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -4.2060 3.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -5.5410 4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -5.8790 5.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -4.8890 6.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -3.5590 5.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -3.2140 4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -3.2580 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -4.4290 0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -2.9210 -0.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -4.0060 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 1.4380 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 1.0910 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.4060 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -1.7960 2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -4.5540 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -6.3150 3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 -6.9170 5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -5.1560 7.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -2.7880 6.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -2.1760 4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -4.5710 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -3.5970 -2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -4.6650 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M END