MDPI-ZINC04264766 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1390 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1460 -2.4380 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -2.7350 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -2.2440 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -2.7170 1.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8380 -2.0920 2.0780 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7080 -2.6830 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 -0.6730 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 -0.0240 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 -0.0520 3.7220 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0180 -1.5200 4.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9230 -2.0660 3.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -2.2160 3.5990 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9330 -3.3020 3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -1.7780 4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -1.3150 5.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -1.9600 3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -2.4160 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -2.6660 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 -1.4000 5.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2500 -0.3170 5.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3480 0.4090 4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1950 1.1820 4.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 0.8130 4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 -4.2370 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -2.4050 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -3.8200 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -1.1530 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 -2.6250 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 -0.0680 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -0.7060 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3920 1.0100 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 -0.5770 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -1.7140 3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -3.7360 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -2.1540 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4850 -2.3480 6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -1.0840 6.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2020 -0.7890 6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9730 0.3840 6.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 1.8380 3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 0.7960 5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 0.4240 3.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -4.7140 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -4.5970 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -4.4800 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END