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 -0.7030 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -0.0090 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -0.6930 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 0.0250 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 1.4960 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 2.2020 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 1.5810 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 0.1750 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1140 -0.6160 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 -1.9790 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -2.9350 -0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9630 -1.9950 -0.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2410 -2.1990 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 -0.6310 0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6230 -0.3230 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1130 0.7570 0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3820 -1.3330 1.3710 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3120 -1.0900 2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 -1.4590 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5820 -0.5920 0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1150 -2.8260 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9070 -3.5370 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9090 -4.9060 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0850 -5.5840 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3390 -4.9660 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4000 -3.5280 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6090 -2.8920 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7940 -3.6250 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0470 -3.0060 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1810 -3.7470 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1380 -5.1110 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9640 -5.7680 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7470 -5.0590 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5210 -5.6980 1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8550 -2.6880 1.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6260 -2.9890 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0760 -4.0260 0.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 2.1770 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4560 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 2.1200 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 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -1.7830 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -1.7720 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 3.2820 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1220 2.1650 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9760 -5.4220 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0590 -6.6390 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6380 -1.8360 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1050 -1.9510 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1380 -3.2680 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0640 -5.6610 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9610 -6.8260 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4890 -6.7550 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 3.2560 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 3.1990 0.0080 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 20 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 21 22 2 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