MDPI-ZINC03843367 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -0.7120 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -0.4770 -2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -1.2210 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 -1.4910 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 -1.9600 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 -2.1860 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2660 -2.6720 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8630 -2.8800 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1860 -2.6210 -3.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 -2.1500 -3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 -1.9220 -2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -1.4280 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -1.1400 -3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -2.1450 -4.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -3.4320 -3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -4.3770 -4.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -4.0840 -5.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -2.8440 -6.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -1.8440 -5.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -0.5540 -6.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 0.4030 -5.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 0.1300 -4.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 1.1870 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 0.9550 -2.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -1.3240 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -2.1620 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8030 -2.8780 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8760 -3.2530 -2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6810 -2.7960 -4.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -1.9530 -4.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -3.6730 -2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -5.3680 -4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -4.8500 -6.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -2.6310 -7.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -0.3250 -7.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 1.3880 -5.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 2.4100 -4.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 3.0690 -3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 2 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 25 2 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 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 48 49 1 0 0 0 0 M END