MDPI-ZINC03850375 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 0.0890 1.4120 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.0940 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -0.7100 0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -0.7590 0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -2.2240 0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2690 -2.5940 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -2.7230 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -2.3240 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -1.1130 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -0.7430 3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -1.5860 4.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -2.8050 4.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -3.1720 3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -3.6360 5.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -4.8700 4.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -1.2230 6.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.6990 6.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -0.4780 5.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -0.3870 8.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -2.7270 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -1.9420 -2.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 1.7670 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 1.7800 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 1.7800 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -0.2670 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -2.2810 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -3.8090 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.4550 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 0.2040 4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -4.1200 2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -4.6670 4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -5.4360 5.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -5.4490 4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -1.2580 8.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 0.4560 8.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -0.1330 8.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -4.0460 -1.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -4.3210 -2.5660 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 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 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 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 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 37 38 1 0 0 0 0 M END