MDPI-ZINC04273441 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 73 0 0 1 0 0 0 0 0999 V2000 -0.9720 1.6800 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.3110 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.2710 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 0.5200 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.9070 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 2.4670 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 3.9420 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 4.7300 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 6.0980 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 6.6800 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 5.8900 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 4.5020 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 6.7450 -1.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 6.4770 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 8.0380 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 8.0600 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 9.3020 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 10.4730 -1.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3240 10.3620 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 10.4370 -0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 9.2830 -1.2520 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0790 9.3250 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 9.3720 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 10.8950 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 11.3770 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 12.4580 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 11.7770 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 12.1140 0.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -0.3360 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -0.0680 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -1.6290 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -1.6500 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -2.8910 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -4.1010 -0.5850 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0800 -4.0710 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -4.0170 0.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -2.8760 0.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6250 -2.9900 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -2.8730 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -4.3700 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -4.8940 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -5.9550 1.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -5.3780 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -5.6330 0.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 2.1630 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -0.2910 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 2.5220 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 4.2460 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 6.7000 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 3.8860 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 9.5410 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 9.1320 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 9.0220 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 8.8190 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 11.3770 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 11.0860 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -3.0520 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -2.7680 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -2.5420 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 -2.2570 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -4.8880 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -4.4800 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 12.5640 -1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -6.2310 -1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -7.0370 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 13.3900 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 45 1 0 0 0 0 2 3 2 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 9 10 2 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 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 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 63 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 43 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 59 1 0 0 0 0 39 60 1 0 0 0 0 40 41 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 41 42 2 0 0 0 0 43 44 2 0 0 0 0 43 64 1 0 0 0 0 63 66 1 0 0 0 0 64 65 1 0 0 0 0 M END