MDPI-ZINC03845657 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2180 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0410 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.4260 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 3.8510 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 4.2800 -0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 4.2290 -0.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -0.6120 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.1650 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -2.8680 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -4.2480 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -4.9370 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -4.2490 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -2.8640 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -2.1870 2.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -6.6980 -0.0500 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -7.1100 1.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -7.1090 -0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 1.9880 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -0.7970 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -2.3340 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -4.7920 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -4.7920 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -2.0070 2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 4.2940 1.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -7.1230 -0.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -8.0810 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 5.2530 1.5870 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 11 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 29 1 0 0 0 0 10 24 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 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 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 27 1 0 0 0 0 16 17 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 M END