MDPI-ZINC03845869 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.7130 1.5360 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 0.0320 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -0.3920 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -1.9200 -1.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4060 -2.3860 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -2.4020 -2.6090 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4240 -3.9370 -2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -4.5470 -3.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.0950 -4.9150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3270 -4.4800 -4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -2.5590 -4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -1.9890 -3.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -2.1380 -5.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 -1.8860 -5.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -4.7330 -6.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -4.8800 -6.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -1.7360 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -2.3680 -0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -2.2940 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 2.0780 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 1.8610 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 1.8180 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.2570 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.4790 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -0.0210 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 0.0960 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -4.2380 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -4.3740 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -4.2750 -4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -5.6410 -3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -2.5680 -5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -1.0500 -5.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -2.4400 -6.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -2.0360 -6.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -0.8070 -5.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -2.2760 -5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -1.7870 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -2.2170 -3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -0.6850 -3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -5.0390 -6.9040 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 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 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