MDPI-ZINC04265781 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 66 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3900 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -0.7020 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -0.0080 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -0.6930 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 0.0210 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 1.4870 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 2.1810 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 1.5120 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 0.1120 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 -0.6600 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4470 -2.0340 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 -3.0020 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 -2.0110 -0.4600 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0960 -1.9510 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3530 -0.7350 0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5650 -0.6900 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1110 0.3830 0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2150 -1.8910 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9770 -0.7930 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3870 -2.0730 1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -1.0950 2.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5820 -3.4640 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5240 -4.1140 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4550 -5.5140 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3890 -6.2970 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4930 -5.7310 2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6120 -4.2710 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6710 -3.6810 3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6340 -4.4860 3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7210 -3.9200 4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6420 -4.7330 5.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5430 -6.1220 5.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5190 -6.7310 4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5250 -5.9460 3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4540 -6.5370 3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 -3.1410 0.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5620 -3.2780 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -4.3620 -0.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 2.1740 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4570 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 2.1190 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.5430 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -1.7820 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -1.7730 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 3.2610 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 2.0810 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 -5.9850 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2900 -7.3710 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7530 -2.6050 3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8220 -2.8470 4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4720 -4.2920 5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3000 -6.7300 5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4660 -7.8090 4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3710 -7.6120 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 3.2530 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 3.1980 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 2 0 0 0 0 1 43 1 0 0 0 0 2 3 2 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 41 2 0 0 0 0 5 6 2 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 40 2 0 0 0 0 8 9 2 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 36 2 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 34 35 1 0 0 0 0 34 55 1 0 0 0 0 35 36 1 0 0 0 0 36 56 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 40 41 1 0 0 0 0 40 57 1 0 0 0 0 41 42 1 0 0 0 0 42 58 1 0 0 0 0 M END