MDPI-ZINC04268166 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 68 0 0 1 0 0 0 0 0999 V2000 -0.4080 2.0560 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 0.5410 -1.2810 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4270 0.1590 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 0.2230 0.1840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0200 1.1000 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -0.9720 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -2.0690 -0.2200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0680 -3.0120 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.2060 -1.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5150 -1.9010 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -3.6280 -1.6990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7510 -4.4920 -0.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2320 -4.8750 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -5.7150 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -5.4690 -1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -5.0080 -3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -3.6540 -2.8860 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7640 -3.4880 -3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -2.5310 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -1.9320 -1.4970 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4610 -2.7740 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -1.1880 -1.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4530 -0.2380 -0.1140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0140 0.6220 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -0.9300 0.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -0.9780 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 -1.1020 -1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -2.1740 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 0.3070 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -0.1410 -2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 0.0970 -3.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -4.9300 -4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -6.0660 -3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -3.7210 0.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -4.1700 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -1.8120 -0.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 2.4380 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 2.2710 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 2.5360 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -1.3850 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -0.6300 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -5.9920 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -6.5690 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -4.7040 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -6.3920 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -2.8530 -3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -1.7570 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -3.0950 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 -2.2030 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 -2.0740 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 0.4040 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 0.2660 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 1.1660 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -5.9340 -4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -4.4760 -5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -4.3240 -3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -6.3150 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -5.6730 -4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -6.9620 -3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -4.2410 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -3.5070 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -5.1700 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -4.2130 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -1.7830 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 M END