MDPI-ZINC04264704 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3910 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 1.2200 -0.6840 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0300 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 1.4230 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 2.1020 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 3.5860 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 4.2350 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 5.5640 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 6.2440 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 5.5950 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 4.2660 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 6.3020 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 6.2390 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -0.6930 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -2.0220 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -2.6700 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 -1.9880 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 -0.6590 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -0.0110 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1980 0.0480 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 -4.0500 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -0.7370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 -1.3190 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9180 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -1.7640 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 1.9760 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 7.2710 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 5.8280 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 5.7430 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 7.2090 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0450 -0.4240 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 1.0180 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -4.5470 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 -4.5220 -0.0760 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 15 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 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 14 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 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 3 0 0 0 0 M END