MDPI-ZINC03847448 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -2.4270 0.2930 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -0.8370 1.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -1.1740 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.4380 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -0.7870 3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -0.0660 4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 -0.4740 5.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 -1.5270 4.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -2.2350 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -1.9010 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -2.6370 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -2.2770 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -2.9950 0.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 0.2730 6.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 1.6550 6.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 2.3360 7.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 1.7610 8.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 0.3640 8.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 -0.4080 7.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -1.8010 7.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -2.4050 8.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 -1.6440 9.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 -0.2840 9.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -2.2710 10.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 -3.7590 8.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -4.4790 7.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 1.1780 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 0.4520 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 0.1100 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 0.4080 3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 0.7870 5.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -3.0780 3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -3.4860 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -2.6760 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 2.1890 5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 2.3660 9.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -2.3960 6.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 0.2910 10.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 -2.5100 10.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -4.1610 7.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6020 -4.2780 6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 -5.5470 7.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 12 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 36 1 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 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END