MDPI-ZINC04292914 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0610 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -0.7520 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -2.0710 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -2.9570 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -2.1720 0.4220 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7120 -0.8750 -0.3920 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6480 -1.1000 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.0200 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 -0.1400 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -1.0160 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -2.3720 -0.9700 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1220 -2.2220 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 -3.0360 0.1140 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4660 -3.1760 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 -4.3900 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 -5.2770 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 -4.6440 -1.6690 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9450 -3.2320 -1.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6950 -3.2200 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 -2.7020 -2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 -3.3070 -3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -4.5260 -3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -5.2690 -3.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8180 -5.5040 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -1.8490 1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -2.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -3.3520 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -3.7840 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 0.3950 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 0.8620 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 0.1030 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 0.7820 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8360 -1.1680 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 -0.5240 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -4.2430 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -4.8620 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 -6.2440 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1490 -5.4260 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 -3.0600 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 -1.6130 -2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 -3.5870 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -2.5860 -3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3100 -5.5500 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4980 -5.0640 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5460 -6.5110 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -1.2490 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -1.2920 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -2.7770 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END