MDPI-ZINC03847098 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 59 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3880 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 1.1800 -0.6890 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.0040 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4170 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 2.0950 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 2.1170 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 1.4660 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 0.0880 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -0.6620 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -2.0400 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -2.7280 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -2.0600 -2.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -2.7620 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -4.1480 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -4.8400 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -4.1440 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -4.8210 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -4.1320 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -2.7450 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 -2.0100 -0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 -0.5740 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2610 0.1210 -0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4490 -0.4900 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 0.2390 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 -0.3990 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0670 0.3120 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2550 -0.3350 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3160 -1.6970 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1940 -2.4400 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9260 -1.8320 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7540 -2.5640 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5120 -1.9300 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 -2.6260 -0.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9120 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -0.5420 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.7680 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 3.1740 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 3.1820 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 2.0170 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -0.9950 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -2.2360 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -4.6850 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -5.9140 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -5.8950 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9150 -4.6610 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5800 1.2960 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0490 1.3640 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1730 0.2160 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2820 -2.1680 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 -3.4900 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 -3.6210 -0.7770 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 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 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 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 34 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 33 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 M END