MDPI-ZINC04235276 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.2130 2.7390 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 1.4010 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 0.5320 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 1.0010 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 2.3390 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 3.2080 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 0.0540 0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1000 -0.8380 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -0.3320 1.3390 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6430 0.1640 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 0.1590 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 0.0950 2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 0.6250 1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9990 1.2210 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 1.2880 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 0.7540 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 0.7160 -0.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3080 1.7890 0.0600 N 0 3 0 0 0 0 0 0 0 0 0 0 9.3650 2.9010 -0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3270 1.1450 0.2300 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0220 0.5540 2.6420 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6570 0.4210 3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9160 -0.6280 2.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2800 -0.4940 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0850 -0.6990 3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3690 -0.4930 2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4420 -0.5580 3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2320 -0.8290 4.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9480 -1.0340 5.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8740 -0.9650 4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 -2.1570 2.3640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.9720 2.0830 2.5400 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -1.7500 1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 3.4180 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 1.0350 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -0.5130 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 2.7060 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 4.2530 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -0.3700 3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 1.7550 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 1.0760 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5330 -0.2810 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4450 -0.3980 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0700 -0.8810 5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7830 -1.2460 6.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8710 -1.1210 4.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -2.0500 2.3380 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 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 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 33 47 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END