MDPI-ZINC03851244 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 -0.8230 1.5460 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 0.0190 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -0.4740 1.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -1.8080 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -2.5390 1.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -2.3320 2.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -3.7100 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -4.6030 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -5.9620 1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -6.4340 3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -5.5480 4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -4.1870 3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -3.3210 4.7000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -6.9140 0.9680 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0210 -6.5000 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -8.1130 1.1800 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0790 1.8500 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 1.9170 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.9600 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -0.2840 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -0.3940 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -1.7540 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -4.2360 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -7.4970 3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -5.9200 4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END