MDPI-ZINC03850637 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 3.6040 1.0170 -2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -0.4600 -3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 -1.3180 -3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -2.6760 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 -3.1850 -3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -2.3260 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -0.9560 -2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -2.8630 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -2.1120 -2.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -4.3120 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -5.0990 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -6.4540 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -7.0350 -2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -6.2540 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -4.9000 -3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -4.0690 -5.0740 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0130 -4.5960 -6.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -2.8590 -4.9860 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4890 -8.3680 -2.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -8.8970 -4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -7.2220 -0.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -6.5600 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 1.5030 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 1.4420 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 1.1750 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 -0.9250 -3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -3.3390 -3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -4.2450 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -0.2870 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -4.6470 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -6.7080 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -8.7150 -4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -9.9700 -4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -8.4110 -4.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -6.0980 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -5.7930 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -7.2860 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 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 30 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END