MDPI-ZINC04197990 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.5080 1.2000 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 0.0030 0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -0.6120 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -1.7800 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -2.4080 2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -1.8690 3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -0.6940 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -0.0760 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.5370 4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -3.8270 4.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -4.6040 3.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -1.7180 5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -2.6490 6.3450 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6110 -1.8470 7.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 -0.9360 7.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -0.3470 8.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 -0.6770 9.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 -1.5900 9.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -2.1860 8.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -3.1220 8.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -3.4460 7.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -4.2310 6.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 -3.5200 5.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 0.9820 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 1.5880 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 1.9430 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -2.1960 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -3.3160 3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -0.2740 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 0.8300 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -5.5570 3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -1.1490 4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -1.0330 5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -0.6810 6.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 0.3670 8.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 -0.2180 10.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -1.8430 10.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -3.4960 9.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 -4.0800 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 23 39 1 0 0 0 0 M END