MDPI-ZINC03852611 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 0.1430 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -0.4710 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 -1.8530 3.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -2.6300 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.9980 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -4.0960 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -4.8390 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -6.2540 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -6.7990 2.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -6.9950 0.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -6.5210 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -7.5150 -1.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -8.6860 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -8.3700 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -9.3550 1.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -10.6130 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -10.9590 -0.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -10.0420 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -10.4140 -2.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -2.4550 4.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 -1.6010 5.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 1.2210 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1290 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -2.5880 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -4.5790 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -4.3560 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -5.4770 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -11.3900 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -9.7360 -2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -11.3540 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -2.2080 5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 -0.9600 4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -0.9850 5.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END