MDPI-ZINC03850238 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 73 0 0 1 0 0 0 0 0999 V2000 -0.4310 1.6470 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 0.1220 0.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3000 -0.2990 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.2390 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 0.3700 -2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -0.1000 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -0.5830 -3.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -0.4660 1.3850 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5280 -0.0340 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.0410 2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -1.1350 3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.1740 2.9740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9400 -3.1650 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -2.0130 1.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6350 -2.6590 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -3.4940 -0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -2.2610 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -2.5520 2.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5520 -1.9650 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -1.9100 3.1410 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8630 -0.8240 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -2.2710 4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -1.4410 5.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -3.7000 4.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -4.1840 3.7990 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7670 -5.2490 4.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -4.0490 2.3340 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2070 -4.4970 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -3.7690 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 -3.9010 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 -3.4630 4.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 -5.2750 3.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6620 -5.2240 3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2710 -3.9920 3.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1790 -3.0760 3.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -5.0680 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7200 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 2.1420 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 2.0620 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 1.9270 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 0.0590 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -1.3250 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 0.1250 -2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 1.4610 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 0.9230 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.0660 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.7150 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -1.6060 4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -2.7650 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 -1.1920 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -3.7650 5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -4.3160 4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 -5.5730 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 -4.3920 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 -4.1980 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4470 -2.7140 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8240 -2.3730 3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 -3.6720 5.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5400 -5.1210 4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2220 -6.1370 3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0970 -3.5810 3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6090 -4.1720 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -5.1580 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -6.0700 2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -4.8250 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -2.6570 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -3.7860 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -2.2970 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 0.0780 -4.7390 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 69 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 36 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 M CHG 1 69 -1 M END