MDPI-ZINC03845546 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 70 0 0 0 0 0 0 0 0999 V2000 0.1350 1.4640 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.0010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -0.7400 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -0.6920 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 0.0120 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -0.6660 -3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.0650 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -2.7690 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -2.0830 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.7940 -4.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.1400 -4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.8680 -6.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -6.2770 -6.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -6.9820 -7.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -6.2660 -8.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -6.9310 -9.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -6.1960 -10.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -6.8420 -12.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -6.0710 -13.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -4.6660 -13.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -4.0440 -12.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -4.7300 -10.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -4.0650 -9.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -4.8000 -8.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -4.1810 -7.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -3.8650 -14.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -2.5210 -14.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -1.7200 -15.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -0.3220 -15.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 0.4240 -16.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -0.2100 -17.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -1.5990 -18.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -2.3530 -16.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 0.5490 -19.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 2.0060 -19.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -0.1100 -20.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.8310 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 1.8300 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 1.8200 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -0.9280 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -1.6900 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -0.1540 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 1.0920 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.1190 -4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -3.8490 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -2.6260 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -2.2490 -5.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -4.6850 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -6.8000 -5.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -8.0620 -7.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -8.0110 -9.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -7.9200 -12.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -6.5390 -14.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.9860 -9.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -4.3550 -15.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -2.0310 -13.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 0.1700 -14.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 1.5020 -16.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -2.0880 -18.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -3.4310 -16.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 2.4580 -18.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 2.3710 -19.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 2.2740 -18.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -1.1920 -20.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 0.1770 -21.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 0.1930 -20.9030 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 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 25 2 0 0 0 0 13 14 2 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 2 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 36 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 36 65 1 0 0 0 0 36 66 1 0 0 0 0 M END