MDPI-ZINC03844308 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 0.0640 1.4770 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.0260 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.6320 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.0070 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -2.7890 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.1710 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.7940 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -3.0060 -2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -4.2630 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -4.8810 0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -4.9860 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -6.3860 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -7.0140 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -6.2470 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -4.9290 0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -4.2850 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.6650 2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 1.8240 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 1.7880 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 1.9080 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.0260 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.3150 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -3.1310 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -2.5070 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -3.9830 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -6.9610 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -8.0920 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 -6.7350 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -3.2050 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -2.7420 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -3.6620 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -2.0670 3.2530 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 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 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 M END