MDPI-ZINC03850234 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 74 0 0 1 0 0 0 0 0999 V2000 0.5050 1.2250 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.2380 -0.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8480 -0.4010 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -1.1460 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -0.9080 -2.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -1.8020 -3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -2.5520 -3.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -0.5630 0.9870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9260 -0.3350 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 0.2160 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -0.8440 3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -1.9550 2.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5640 -1.5760 3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -2.0340 1.3440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7000 -3.0460 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -2.7380 0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -4.4460 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -4.4280 2.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5210 -4.1980 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -3.3430 3.4780 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2290 -3.5670 4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -3.4470 4.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -2.4820 4.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -4.7710 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -5.7860 3.7570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0870 -5.5220 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -5.7900 3.0460 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1600 -6.1030 4.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -7.4940 4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -7.5280 5.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -7.1760 4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -6.6300 6.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -7.3840 7.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -8.6620 7.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -8.8060 5.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -6.8690 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -2.5020 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 1.3880 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 1.4560 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 1.8710 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -0.9200 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -2.1880 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -1.1340 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 0.1340 -3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 0.8270 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 0.8430 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -0.4880 4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -1.1660 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -5.1710 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -4.6700 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -5.0640 5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -4.7000 5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -6.0800 3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -5.3600 4.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -8.2390 3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -7.7110 5.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -7.1800 4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -7.9120 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -7.5790 7.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -6.9020 8.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -9.5130 7.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -8.5150 7.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -6.8800 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -7.8420 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -6.6530 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -1.8670 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -3.5340 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -2.4360 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -1.7650 -5.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -2.3570 -5.7280 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 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 69 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 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 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 37 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 49 1 0 0 0 0 17 50 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 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 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 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 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 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 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 34 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 69 70 1 0 0 0 0 M END