MDPI-ZINC03845559 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 0 0 0 0 0 0999 V2000 -0.0870 0.9060 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.5930 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.8140 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -2.0850 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -2.9850 -0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -2.3920 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -3.8810 -2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -4.4830 -2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -5.8490 -3.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -6.6140 -2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -6.0130 -1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -4.6460 -1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -6.8320 -1.4950 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4190 -7.9430 -1.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 -6.3950 -1.5410 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4550 -8.1040 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -8.7960 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -8.1450 -0.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -10.1340 -1.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -10.7320 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -12.2540 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 1.2970 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 1.4190 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 1.0720 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -1.1060 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -0.9840 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -1.9030 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -2.0240 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -3.8850 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -6.3190 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -4.1750 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -8.3390 -3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -8.4470 -3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -10.4680 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -10.3610 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -12.5170 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -12.6250 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -12.7020 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END