MDPI-ZINC03845570 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 0 0 0 0 0 0999 V2000 -0.5900 1.4960 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -0.0110 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -0.6290 0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6720 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -2.0660 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -2.7260 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -4.1020 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -4.8220 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -4.1680 -2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -2.7920 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -2.0800 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -1.6120 -3.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -0.9200 -5.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -0.4180 -5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -0.5400 -5.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 0.2800 -7.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 0.8020 -7.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 1.4520 -8.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 1.5880 -9.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 1.0740 -9.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 0.4160 -7.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -4.8190 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -5.1790 1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -5.8760 3.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -6.2920 3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -6.0880 3.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -6.9960 5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -7.4270 5.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -8.0840 6.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 -8.3140 7.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -7.8890 6.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -7.2370 5.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.8600 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.8690 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 1.8490 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -0.1810 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.1640 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -5.8980 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -4.7330 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -2.7610 -4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -1.2180 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -0.9310 -3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -2.4750 -4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.8230 -5.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 0.6960 -7.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 1.8560 -9.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 2.0990 -10.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 1.1840 -9.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 0.0120 -7.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -5.7300 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -4.1710 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -4.2680 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -5.8270 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -6.0390 3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 -7.2470 5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -8.4180 7.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -8.8280 8.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -8.0720 7.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -6.9090 5.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 M END