MDPI-ZINC03848626 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 0.0760 1.4140 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 0.0170 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -0.6630 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.1080 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 1.5100 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 2.1680 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 2.3020 0.4940 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5230 1.6920 0.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 3.5340 0.3770 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3140 -2.1370 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -2.8590 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -4.2590 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -4.9890 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -4.2720 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -2.8710 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -6.5040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -7.0750 0.6360 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8330 1.9090 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -0.5470 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -0.3970 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 3.2530 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -2.3360 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -4.7870 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -4.8110 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -2.3610 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -7.0910 -0.6060 O 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 2 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 17 -1 M END