MDPI-ZINC03844601 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0340 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.6840 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -0.3760 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 -1.3380 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 -1.5310 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8770 -2.5450 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3710 -3.3860 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -3.2140 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -2.1880 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -1.7690 0.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -2.1760 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2180 -4.4850 1.0330 N 0 3 0 0 0 0 0 0 0 0 0 0 9.3500 -4.6440 0.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 -5.2270 1.8950 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8200 0.6330 -1.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9890 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5150 -0.8810 -1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8820 -2.6940 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 -3.8740 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 1.4680 -1.3790 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 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 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 29 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END