MDPI-ZINC02005067 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0220 -0.3780 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.4980 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 0.1290 2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.2920 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -1.3520 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -1.9730 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -1.5460 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 -2.2490 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -1.9310 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -0.0770 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -1.7740 4.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 0.3270 4.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 1.4070 4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 0.9510 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -2.7960 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -1.9140 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -3.3250 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.2940 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.4120 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 1.0100 -2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -0.5110 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.4370 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -2.4640 5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 2.1890 4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 1.0450 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 1.8110 5.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -0.4720 -1.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 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 19 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 32 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 32 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END