MDPI-ZINC03850640 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.3970 1.3700 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -0.0580 -0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -0.6340 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 0.1540 -2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -0.4430 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -1.8380 -3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -2.6170 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -2.0240 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -2.7980 -0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -4.2130 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -2.4740 -4.0930 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4590 -3.3010 -4.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -2.1720 -4.1570 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8380 0.3900 -3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -0.1200 -4.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 1.8800 -3.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 2.4970 -4.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 2.9320 -5.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 3.4990 -6.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 3.6300 -6.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 3.1950 -5.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 2.6330 -4.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 1.7170 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 1.7820 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 1.6990 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 1.2300 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -3.6930 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -4.5320 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -4.7120 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -4.4740 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 2.3080 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 2.0820 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 2.8300 -6.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 3.8380 -7.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 4.0710 -7.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 3.2970 -5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 2.2960 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 28 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 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END