MDPI-ZINC04701266 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 9.9940 1.4340 4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7150 0.0940 4.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8910 -0.5780 3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3400 0.0970 2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6260 1.4500 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4510 2.1100 3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 -0.6170 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 -1.7960 2.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 0.0940 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 -0.5840 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 -2.0560 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -2.7720 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 -4.1520 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2180 -4.8370 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4110 -4.1360 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.7410 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 -4.8160 0.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5870 -6.1050 0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -6.7810 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -8.2440 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6100 -8.9930 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6760 -10.3550 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8870 -11.0120 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 -10.3140 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0080 -8.9090 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1790 -8.1540 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1390 -6.7960 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -6.0950 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9580 -4.7380 0.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6320 -5.8960 1.0570 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6710 -5.5700 2.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6600 -6.6280 0.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9300 -12.7730 0.3810 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0820 -13.1500 1.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 -13.2080 0.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6360 1.9570 5.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1420 -0.4280 5.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6740 -1.6250 4.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 1.9790 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.1570 3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0140 1.1620 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -0.0470 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -2.2440 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -4.7000 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2230 -5.9170 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 -2.1940 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 -8.4940 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7760 -10.9320 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 -10.8370 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 -8.6610 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8170 -4.3480 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4990 -4.5780 0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1820 -13.2120 -1.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2240 -14.1710 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2720 -4.0020 0.3840 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 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 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 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 33 34 2 0 0 0 0 33 35 2 0 0 0 0 33 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END