MDPI-ZINC01728051 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3920 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 1.2240 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.5740 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0900 4.1700 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 4.1960 0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7000 -0.6790 -0.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7240 -1.8960 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 -0.0490 -0.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.7640 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -0.1730 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.1110 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -2.8640 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -4.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -5.1500 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -6.5860 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -7.3890 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -8.6090 -0.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -8.6660 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -7.3670 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -7.1510 2.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -8.1360 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -9.3720 2.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -9.6860 1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -10.9830 1.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9200 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -1.7590 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 1.9740 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -2.5830 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -2.6150 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -2.6050 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -4.6130 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -4.6230 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -4.9010 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -4.8910 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -7.0620 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -7.9260 4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -11.1970 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -11.6780 1.7370 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END