MDPI-ZINC03844717 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.0060 1.9950 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 0.6080 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.2870 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -1.7000 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -2.5480 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -2.0330 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -0.6500 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 0.2600 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.6840 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 2.5430 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 2.3530 -0.1440 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9480 2.4410 1.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 2.8480 -1.1190 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6800 -0.2050 -0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 -0.3640 -1.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 0.0570 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5550 -0.6840 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8770 -0.2700 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 0.8840 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4550 1.6320 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 1.2090 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0130 1.4520 -0.4980 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 2.8960 -0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4490 0.7580 0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -2.3010 -0.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 2.6360 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 0.2350 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -3.6270 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -2.7090 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 3.6230 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 -1.5860 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5540 -0.8440 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8090 2.5330 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4640 1.7860 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -1.7720 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -3.3090 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6320 1.0020 -1.7410 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 37 -1 M END