MDPI-ZINC03844587 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 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 1.2060 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0100 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4060 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 2.1570 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 3.5000 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 4.2500 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 3.5680 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 4.2770 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 5.6610 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 6.3430 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 5.6470 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 6.5180 -0.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 6.8520 -1.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 5.7630 0.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -0.8620 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 -1.1860 -1.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 -0.1110 0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.7660 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 1.6270 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 4.0290 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 2.4880 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 3.7510 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2210 6.2110 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 7.4230 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 7.8340 0.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -2.1820 0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -2.7430 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 8.3950 0.7830 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 23 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 M END