MDPI-ZINC03844895 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.3430 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.6470 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 0.9950 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0230 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -0.2780 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 0.3840 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -0.6770 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 0.0190 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 -0.7040 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 -1.3130 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 -1.9850 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 -2.0540 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1710 -1.4510 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 -0.7720 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 -0.1230 2.1680 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2880 -0.1840 3.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 0.4720 2.2320 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8340 1.4890 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 2.0820 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.8610 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 2.3970 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 1.2320 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -1.0260 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 0.1530 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -1.7450 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 -1.2600 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0490 -2.4570 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4990 -2.5810 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 -1.5090 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 2.1800 -0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 3.1450 -0.3350 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 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 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 18 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 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END