MDPI-ZINC03847520 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 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 0.7320 -0.5080 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -1.5160 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -1.7160 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 -2.6040 3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -2.5100 4.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.5770 5.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -0.6890 4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -0.7650 3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.0540 2.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 0.6650 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -1.5350 6.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 -3.3520 5.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -2.2470 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -1.9330 -1.1430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0050 -2.4360 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.4190 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -1.6390 -3.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -0.5300 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -0.8310 1.0450 O 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 3.5670 -3.3290 2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.0290 5.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -0.9380 6.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 -3.0110 5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -1.9080 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -3.3200 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4820 -1.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.2240 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -3.7170 -2.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -0.6620 -1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -1.0040 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -3.9810 -3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 15 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 25 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 31 32 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 M END