MDPI-ZINC03850635 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -4.9820 -4.6030 6.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 -4.7460 5.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -4.2260 4.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -4.3310 3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -3.8050 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -3.1640 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 -3.0600 2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -3.5940 4.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -2.5980 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -2.6960 -0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 -1.9130 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 -0.5170 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5260 0.1200 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6870 -0.6300 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6400 -2.0160 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 -2.6580 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 -4.1360 0.1200 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.4270 -4.7820 0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 -4.7080 0.2230 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.8670 -0.0030 -0.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0170 -0.8310 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 1.4770 -0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3490 2.1810 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 -5.0620 7.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -3.5450 6.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -5.0940 6.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -4.8260 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -3.8870 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 -2.5660 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 -3.5190 4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 0.0630 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5410 -2.5930 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8900 -0.2050 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8570 -1.4920 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1810 -1.4280 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 3.2540 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9530 1.9460 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 1.8810 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END