MDPI-ZINC03852440 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.8360 1.5570 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 0.0310 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -0.4560 -1.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -1.7880 -1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -2.5230 -1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.3060 -2.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -3.6940 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -4.5150 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -5.8840 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -6.4370 -2.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -5.6210 -3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -4.2520 -3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -3.3810 -4.6180 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9950 -2.9480 -4.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -3.0970 -5.6070 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2090 -6.2170 -4.7630 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3510 -7.4250 -4.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 -5.5000 -5.6200 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0740 1.8530 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 1.9830 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 1.9230 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.3950 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -0.2650 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -1.7170 -2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -4.0840 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -6.5240 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -7.5080 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 16 1 M CHG 1 18 -1 M END