MDPI-ZINC03845287 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 0.0140 1.4300 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 0.0480 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -0.6780 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -0.0230 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 1.3580 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 2.0850 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 3.5920 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 4.1070 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -0.8010 0.0550 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6910 -0.2280 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -2.0150 -0.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1030 -2.1850 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -2.6970 1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 1.9980 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -0.4640 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 1.8700 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 3.9260 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 3.9790 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 3.7730 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 3.7200 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 5.9410 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.5200 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -2.5740 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -2.3620 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -2.3080 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -4.5490 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 5.5760 1.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 5.9120 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -4.1650 1.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -4.5280 2.3550 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 29 1 0 0 0 0 21 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END