MDPI-ZINC03847150 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 -0.1260 1.5440 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 0.0380 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.6590 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0690 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -2.7970 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -2.1020 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -0.6950 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.0100 -2.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 0.2270 -2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -2.8610 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -4.2960 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -4.9110 0.4090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1040 -2.7510 2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -3.0300 2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 0.0820 2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.9630 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.9220 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 1.9250 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 0.7750 -3.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 0.8430 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -0.7110 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -3.7420 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -2.2560 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -3.1770 -2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -3.9810 3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -2.2480 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -3.1080 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.3690 2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -0.5200 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 0.9800 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -4.8230 -0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 31 2 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 M CHG 1 12 -1 M END