MDPI-ZINC04268245 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 67 0 0 1 0 0 0 0 0999 V2000 1.0630 1.4500 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.0560 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -0.6770 0.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -0.7090 -1.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -2.1590 -1.5260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4100 -2.4780 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -2.7050 -2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -2.2210 -3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -2.5720 -4.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -2.2400 -3.7650 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6240 -1.1210 -3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -2.7000 -2.3190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9890 -2.1110 -1.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8010 -1.0060 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -2.5150 -0.2850 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2610 -2.8060 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -3.6620 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -3.5770 -1.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1460 -4.3530 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -3.6640 -2.4710 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1290 -4.4720 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -2.2580 -2.5930 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9820 -1.8680 -4.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7160 -0.8020 -4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -2.6720 -4.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -2.0750 -4.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 -1.3650 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -0.2110 -2.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -2.1810 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 -1.7710 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 -3.8690 -3.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -1.3540 0.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -1.3000 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -2.1900 2.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -0.1290 2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -4.1970 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -4.7240 -1.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -1.6970 -5.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -4.0290 -4.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7880 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 1.8400 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 1.8120 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -2.3210 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -3.7880 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -1.1370 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -2.6820 -3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -4.6150 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -3.6460 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -2.4300 -5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -3.7310 -4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -1.8360 -5.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 -2.4610 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 -0.7500 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -4.6900 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 0.5660 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -0.4850 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 0.3780 3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -4.8020 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.9260 -6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -1.9050 -6.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.6440 -5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -4.6810 -4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -4.2680 -5.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -4.1760 -5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 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 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 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 47 1 0 0 0 0 17 48 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 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 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 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 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 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 36 37 2 0 0 0 0 36 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 M END