MDPI-ZINC04262792 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.5040 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0020 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.5930 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -0.7520 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -2.1290 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -2.9380 -0.0670 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7000 -2.1040 -0.5210 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6150 -2.6890 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -1.6550 -1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -2.8180 -2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -2.6930 -4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -3.7500 -5.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -3.6270 -6.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -4.6590 -7.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -5.8450 -6.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -6.0070 -5.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -4.9560 -4.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -5.0840 -3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -4.0180 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -4.1520 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -5.2340 -0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -6.2280 -2.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -7.1670 -5.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -0.8590 0.3810 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8220 -1.1600 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -0.0400 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 1.1680 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 -0.0940 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 0.6310 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -3.3830 1.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -2.7580 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 1.8820 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.8410 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8790 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -1.1490 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -0.9570 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -1.7730 -4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 -2.7140 -6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -4.5540 -8.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -6.6480 -7.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -6.2360 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -7.1780 -5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 -0.0670 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 1.3270 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3730 1.1850 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -3.9340 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -2.2160 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 26 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 20 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 M END