MDPI-ZINC00338487 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.6510 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 0.1230 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 1.4390 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.0740 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -0.6550 -0.0390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.1260 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -2.6770 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -2.8610 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -4.2480 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -5.0460 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -6.3410 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -6.6530 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -5.1510 -0.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9120 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -0.5700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.1540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -2.4210 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -7.0890 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -7.6500 -0.0480 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 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 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 7 1 0 0 0 0 5 6 1 0 0 0 0 6 18 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 19 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 M END