MDPI-ZINC04265914 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 4.6870 -6.0960 3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -5.3420 3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -4.0130 2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 -3.4340 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -4.1950 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 -5.5230 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -2.0930 2.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8920 -1.4820 1.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.2270 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 0.3900 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3280 -0.3280 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4890 0.2630 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4480 1.5720 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 2.2770 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 1.6960 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 2.4580 0.2860 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7850 3.5500 -0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 1.9940 0.8180 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6810 2.2020 -0.7210 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6770 3.3800 -1.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6980 1.5440 -0.8420 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7580 -0.4880 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7450 -1.7840 0.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 -2.4560 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5030 -3.8500 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3260 -4.5200 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 -5.9000 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4240 -6.6160 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5980 -5.9520 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6430 -4.5730 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -7.1330 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -5.7920 3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -3.4260 3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -3.7490 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 -6.1150 2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 -1.5830 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 0.3650 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3540 -1.3380 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2360 3.2880 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6980 0.0380 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7380 -1.9520 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4390 -3.9620 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3760 -6.4220 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3940 -7.6950 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4820 -6.5140 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5610 -4.0560 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 19 1 M CHG 1 21 -1 M END