MDPI-ZINC04293110 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 76 0 0 1 0 0 0 0 0999 V2000 -0.3890 1.4700 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.0040 -0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8890 -0.6170 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.2100 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.0620 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -0.1420 -3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 -0.4700 -3.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -0.4100 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7580 0.1060 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.0770 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -1.4150 3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -2.3240 2.7470 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6960 -3.3840 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -1.9300 1.2590 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3480 -2.3030 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -2.8520 -0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -1.9870 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -2.5190 2.8940 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3400 -3.6050 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -1.9020 3.5130 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2650 -0.8160 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -2.3440 4.9720 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9160 -3.4280 5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2510 -1.9220 5.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -2.5900 5.1760 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3720 -3.6730 5.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -2.1080 3.7040 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8180 -0.5870 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 -0.1720 4.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.6240 5.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -2.1910 5.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 -0.2290 6.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 0.6370 7.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 0.2660 7.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -0.0030 6.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 -2.7620 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.7330 5.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.6200 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 2.0840 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.7590 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 1.6170 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 0.4760 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -1.2370 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -0.6250 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 1.0880 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 0.6030 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 0.3730 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -1.2760 4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -1.8400 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 -2.4740 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -0.9090 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -0.8390 5.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -2.2350 6.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -0.2680 2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -0.1170 4.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 -0.6380 4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 0.9130 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -2.5170 7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 -2.6630 5.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 0.4270 8.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7100 1.6840 7.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 -0.6230 8.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 1.1020 8.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 -2.4340 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 -2.4700 3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 -3.8460 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -1.9680 6.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.3500 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -3.7000 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.3000 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.0420 -4.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -0.1000 -5.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 2 0 0 0 0 6 71 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 36 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 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 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 71 72 1 0 0 0 0 M END