MDPI-ZINC04273469 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 0.3400 1.2940 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -0.2320 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -0.6230 -0.9850 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -0.8090 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -0.6260 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -0.8150 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 -1.1860 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 -1.3710 -2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -1.1860 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -1.3800 -3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.1820 -3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -0.7960 -2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -0.6260 -1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -1.3630 -4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -1.8050 -5.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -1.0120 -4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -1.2860 -5.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -0.9330 -5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -0.3140 -4.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 0.0150 -4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 -0.2650 -5.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 -0.8820 -6.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 -1.2100 -6.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9630 -1.0440 -7.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0040 -0.1540 -6.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 -0.0430 -5.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.7400 -4.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 1.6870 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 1.6970 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 1.5850 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -0.6360 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -0.6250 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -0.3370 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 -0.6720 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 -1.3280 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -1.6590 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -0.5350 -3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -1.7630 -6.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -0.0960 -3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 0.4920 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -1.6840 -7.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9070 0.8190 -7.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9860 -0.5840 -7.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -1.9200 -5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 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 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 44 1 0 0 0 0 M END