MDPI-ZINC04235228 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 68 0 0 0 0 0 0 0 0999 V2000 2.5260 -6.7570 4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -6.5060 3.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -5.8490 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -5.6170 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -6.0440 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -6.7040 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -6.9370 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -5.8110 -0.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -5.4620 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -5.4070 -0.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -4.9470 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -5.7970 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 -5.3280 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 -4.0190 -1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -3.1710 -1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -3.6260 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 -3.5130 -2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -5.1700 -2.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -6.1410 -3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -5.8960 -4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -6.8560 -5.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -8.0600 -5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -8.3070 -3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -7.3540 -3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -3.9220 -3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -3.4530 -4.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -2.2280 -4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -1.7120 -5.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -1.5700 -3.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -2.6500 -2.3470 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -0.2060 -3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 0.7760 -3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.2450 -2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 2.1460 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 2.5780 -3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 2.1090 -4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 1.2120 -4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -5.8800 5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -7.6190 4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -6.9530 4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -5.5160 2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -5.1030 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -7.0380 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -7.4540 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -5.8950 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -6.8190 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -5.9840 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 -2.1510 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -2.9620 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -3.0210 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 -2.8020 -3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2700 -4.3510 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -4.9560 -5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -6.6660 -6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -8.8090 -5.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -9.2480 -3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -7.5490 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -0.0890 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -0.0170 -4.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 0.9080 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 2.5120 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 3.2800 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 2.4460 -5.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 0.8490 -5.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 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 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 35 36 2 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 M END