MDPI-ZINC03848599 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.1120 1.0660 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 1.0250 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 1.3910 3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 1.7520 3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 2.0760 4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 2.0450 5.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 1.6860 5.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 1.3590 4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 1.0060 4.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 1.6550 7.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 2.0050 8.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 1.8120 2.3070 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9600 2.8520 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 1.0400 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 1.1890 2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 1.3700 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 2.4800 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 2.6500 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 1.7090 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 0.5950 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 0.4280 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -0.6610 0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -1.8230 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -0.3300 -1.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -0.0220 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 1.4060 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.4910 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 1.4790 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -0.0590 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 2.3560 4.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 2.2990 6.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 1.7500 4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 3.0230 8.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 1.3180 8.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 1.9390 9.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -0.0270 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 1.2260 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 0.1260 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 1.6780 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 3.2160 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 3.5180 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3110 1.8440 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 -2.1570 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -2.6170 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 -1.5830 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -0.1560 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 1.5010 1.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 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 12 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M END