MDPI-ZINC03848171 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 1 0 0 0 0 0999 V2000 0.0490 1.4460 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.0780 -0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7150 -0.7530 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -1.2100 1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -0.6580 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -0.7690 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -1.4670 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -2.0300 2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -1.9030 2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -0.6510 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -1.0390 -1.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 1.8100 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 1.8510 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 1.8700 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -1.5560 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -0.0520 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -0.3360 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -1.5820 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -2.5720 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -2.3390 3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -0.6690 -2.3200 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 M CHG 1 21 -1 M END