MDPI-ZINC03848604 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.5650 0.6670 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 0.8440 2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 1.5870 3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 2.8780 3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 3.4760 4.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 2.8540 6.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 1.6070 6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 0.9890 5.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -0.2520 5.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.8790 7.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 1.4850 8.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 3.5790 2.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8460 3.5040 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 2.8750 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 5.0690 2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 5.8550 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 6.3170 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 7.0600 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 7.3620 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 6.9180 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 6.1670 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 5.7340 1.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 7.1390 -0.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 7.9860 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -0.3990 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 0.8490 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 1.0540 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 0.9180 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -0.2090 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 4.4400 4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 3.3730 6.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -0.4710 6.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 2.4200 8.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 1.6450 8.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 0.7960 9.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 3.1980 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 3.0620 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 5.5950 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 5.1300 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 6.1140 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 7.4160 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 7.9450 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 6.0910 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 8.9820 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 7.5340 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 8.0990 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 1.3840 1.3490 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1660 1.2040 1.3400 H 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 23 1 0 0 0 0 21 22 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END