MDPI-ZINC03846794 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2100 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0200 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.4000 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.5690 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 4.3060 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 5.6820 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 6.2510 0.0230 O 0 3 0 0 0 0 0 0 0 0 0 0 2.2170 5.7140 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 4.3280 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 6.5540 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 7.9440 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 8.7220 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 8.1240 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8310 6.7420 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 5.9560 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8320 8.8900 -0.0220 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.0340 -0.0200 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -0.5130 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 1.9470 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 3.8120 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 6.2700 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 3.8560 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 8.4110 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 9.7990 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8070 6.2810 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 4.8800 -0.0080 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 M CHG 1 10 1 M END