MDPI-ZINC03847560 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.1400 1.1370 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.2270 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.8240 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -0.0570 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 1.3080 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 1.9050 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6060 -1.7500 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.6360 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 -1.3350 1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 -2.4090 2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -2.6130 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -1.2560 2.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 0.8040 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 1.5050 2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 2.8260 2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 3.4470 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 2.7460 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 1.4230 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 -0.0060 -1.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.3330 -2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -1.2100 -2.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3740 0.3820 -3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 1.2590 -2.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 0.0550 -4.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 1.6030 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -0.8270 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -1.8900 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 1.9070 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 2.9710 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -3.3120 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 -2.1160 3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -3.2400 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 -3.0320 3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 1.0200 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 3.3740 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 4.4790 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 3.2300 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 0.8740 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 0.6950 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 -0.6460 -4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 0.5190 -5.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END