MDPI-ZINC03847704 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 0 0 0 0 0 0999 V2000 2.0830 0.7140 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 2.1800 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 2.5180 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 2.9390 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 3.5690 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 4.8610 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 5.9970 2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 7.1330 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 7.8370 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 6.7720 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 5.6560 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 4.3890 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 3.7440 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 9.4310 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 7.5210 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -0.0600 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 1.2750 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 0.1850 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 2.8160 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.4030 4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 2.7780 4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 1.9570 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 2.0440 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 3.5820 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 2.8700 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 5.1080 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 6.4370 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 5.6250 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 7.6670 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 6.5530 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 5.9200 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 3.7290 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 4.4630 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 3.4290 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 9.6140 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 9.7420 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 9.9550 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 8.0470 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 6.4480 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 7.7990 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 1.5680 2.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 7.9490 0.4840 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8810 7.8440 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 41 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 42 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 42 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 42 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END