MDPI-ZINC03844782 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 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 -0.6890 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0540 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7290 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.1320 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.7480 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -4.0040 -2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.6440 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -1.9710 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6360 -1.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -4.7180 -3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -4.9790 -4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -5.6930 -5.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -5.9660 -6.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -6.0670 -6.2080 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 0.0250 -0.1400 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6010 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.7190 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -5.8260 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -2.0830 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -4.1000 -4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -5.6670 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -5.5970 -3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -4.0290 -4.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -5.2520 -6.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -6.9690 -6.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -6.2500 -5.4380 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 11 2 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 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 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 M END