MDPI-ZINC03846552 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.0660 1.4470 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.0100 -0.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.5560 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 0.2730 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.2780 3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -1.6550 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.4870 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.9500 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8290 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -2.2390 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.7790 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.2550 -2.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -3.0430 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -4.2510 -2.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -2.3980 -3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -3.4820 -4.7570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9240 -4.1990 -4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -2.8470 -6.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -2.5130 -6.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -1.9310 -8.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -1.6820 -8.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -2.0140 -7.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -2.5930 -6.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -2.9160 -5.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -5.5300 -5.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -6.2060 -5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -6.1060 -6.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 -6.7400 -6.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -7.4330 -5.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -7.5500 -4.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -6.9490 -4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -4.1700 0.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 1.8380 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 1.7030 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.8830 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 1.3460 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.3680 4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -2.0700 4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -3.5580 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.7310 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -1.8270 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 -2.7060 -6.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -1.6710 -8.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -1.2270 -9.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -1.8200 -8.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -3.8100 -5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -6.1020 -4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -5.4760 -6.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -5.5380 -7.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 -6.6660 -7.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -8.1260 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -7.0520 -3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -4.6980 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -4.1730 -4.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -4.1920 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 11 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 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 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 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 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 54 55 1 0 0 0 0 M END