MDPI-ZINC01719188 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.3790 1.3490 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -0.0670 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -0.5930 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 0.1230 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -0.5490 2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -1.9530 2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -2.6700 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -1.9860 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.7110 -0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 0.2480 4.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4290 1.3200 3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -0.0050 5.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 0.0000 6.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 -0.0740 5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 0.0170 4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 -0.0310 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 -0.2240 3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 -0.3470 4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -0.2740 5.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1600 -0.5410 4.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0700 -0.3090 1.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -0.2460 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 1.8350 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.6040 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 1.7180 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.2070 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.5020 3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -3.7530 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -2.0530 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 0.4440 5.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -1.0700 5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -1.0040 7.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 0.6170 7.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 0.0820 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 -0.3700 6.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -0.5660 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -1.0670 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 0.7250 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 -0.3560 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 0.6180 6.5340 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6750 1.6280 6.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 0.5250 7.4110 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 40 1 M END