MDPI-ZINC01643771 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0850 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7780 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0930 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6970 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0430 -2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 0.3620 -3.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.8500 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -4.2850 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.8270 2.4670 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9800 -3.1470 3.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -3.1180 2.9830 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0250 0.0450 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -3.0470 -2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -2.2560 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -3.7950 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -4.6630 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -4.6440 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -4.6390 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 0.2110 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -0.5410 3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 1.0050 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 0.3640 -3.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 0.8490 -3.8900 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END