MDPI-ZINC04273478 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 0.0820 1.4960 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.0100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -0.6940 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 0.0040 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 0.5570 3.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -2.1650 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -3.0060 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -4.3740 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -4.9110 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -4.0820 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -2.7120 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -1.8260 1.6500 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7710 -2.3060 1.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -0.6170 1.6620 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0420 -0.6770 -1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -0.5860 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.8140 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.8860 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 1.8750 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -2.5870 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -5.0260 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -5.9830 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -4.5070 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 0.4430 -2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -0.8970 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -1.2370 -2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 3 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END