MDPI-ZINC04293361 MOE2007 3D Structure written by MMmdl. 76 80 0 0 1 0 0 0 0 0999 V2000 1.6580 3.5570 6.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 3.7060 5.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 3.0930 4.3200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5430 3.3120 3.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 2.4880 2.6680 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8140 2.7480 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 2.7610 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 3.3460 1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 3.5680 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 3.2090 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 2.6130 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 2.3920 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 1.8160 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 2.2320 -2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 1.5010 -2.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 2.7500 -3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 3.3460 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 3.8350 -3.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 3.7350 -5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 3.1520 -5.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 2.6560 -4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 2.0840 -4.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 3.4470 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 3.7210 -1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 3.7710 3.2800 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8490 3.4970 3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 5.2660 3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 5.7510 3.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 6.0600 3.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 7.4900 3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 1.0990 3.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 0.5890 3.4560 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4620 1.2460 4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -0.8150 4.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -1.3780 4.4630 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0950 -2.3990 4.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 -1.3740 3.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1520 -1.7220 3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 0.0520 2.7100 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7060 0.7020 3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 0.5260 2.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 0.0540 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -2.2370 2.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 -1.0950 6.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -0.3890 6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 1.6930 4.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 4.0710 5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 3.9940 7.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 2.5000 6.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 4.7640 5.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 3.1930 6.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 4.3690 3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 2.9880 4.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 4.0250 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 0.8580 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 4.2920 -3.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 4.1160 -6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 3.0810 -6.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 2.7050 -4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 8.0140 3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 7.8200 2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 7.7090 4.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.7630 4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -1.4620 3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1560 -0.3300 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 1.0730 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 -0.5770 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 -2.2830 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 -2.0720 6.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4890 -0.4230 6.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 -1.2000 5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 0.1820 6.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 0.1380 7.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -1.3720 6.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.1970 4.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 -0.5190 5.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 50 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 52 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 54 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 55 1 0 0 0 0 14 15 2 0 0 0 0 14 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 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 19 20 2 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 41 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 76 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 43 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 42 65 1 0 0 0 0 42 66 1 0 0 0 0 42 67 1 0 0 0 0 43 68 1 0 0 0 0 44 69 1 0 0 0 0 44 70 1 0 0 0 0 44 71 1 0 0 0 0 44 76 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 45 74 1 0 0 0 0 45 76 1 0 0 0 0 46 75 1 0 0 0 0 M END