MDPI-ZINC03844579 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3720 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 1.2240 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.4130 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 3.4800 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -2.0500 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -2.6760 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -4.0350 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -4.7620 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -4.0880 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 -4.8020 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -6.1940 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -6.8810 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -6.1770 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -6.8530 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -6.1630 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -4.7690 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -4.1220 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 -7.0810 -0.1060 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 -8.3600 -0.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5300 -6.2010 -0.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.8990 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -0.4860 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 1.9700 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 3.9500 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 3.9780 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -3.0080 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -4.2810 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -7.9610 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -7.9320 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -6.7100 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -3.9300 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9630 -7.3150 1.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7940 -7.7990 1.4470 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 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 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 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 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 36 37 1 0 0 0 0 M END