MDPI-ZINC04268239 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 1 0 0 0 0 0999 V2000 0.1650 1.4160 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.0870 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -0.7530 0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.6870 -1.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -2.1390 -1.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1780 -2.5470 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -2.5370 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -1.8540 -2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -2.2060 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.0950 -3.7970 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1860 -1.0030 -3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -2.6860 -2.5970 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8260 -2.4000 -2.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3270 -3.3990 -2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -1.6630 -1.4560 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8360 -0.7280 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -1.3490 -1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -0.6830 -2.9470 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1670 -0.3220 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -1.7210 -4.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1160 -1.3920 -5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -1.6670 -3.9550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6530 -2.2620 -5.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7600 -1.5280 -6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -2.6400 -5.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -3.4290 -5.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -0.1860 -3.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 0.4290 -4.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 0.4200 -3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 1.7010 -2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -3.0170 -3.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 -2.5080 -0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -1.8880 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -0.6820 0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -2.6970 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -4.2220 -2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -3.5790 -4.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -1.1710 -4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 1.8220 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 1.8090 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 1.7030 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -2.1760 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -3.6100 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -0.7690 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -2.1630 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 -2.2740 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -0.6740 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -2.2110 -5.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -3.7230 -5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -3.8640 -6.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 2.0400 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 2.3990 -3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -3.0570 -3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -3.7580 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -2.4900 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -2.4270 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -4.6320 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -4.6250 -3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -4.4940 -2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -4.3110 -3.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -3.8740 -5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -3.5310 -4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -1.2430 -4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -1.3760 -5.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -0.1680 -4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 M END