MDPI-ZINC03845587 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 1 0 0 0 0 0999 V2000 -0.2110 1.3890 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.1340 -0.5520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1190 -0.5580 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -0.6890 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.0930 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.4660 -0.5400 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8620 -1.5510 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 0.0890 -1.7610 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6060 -0.1760 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -0.5060 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 1.5350 -1.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 2.2240 -2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 1.6420 -3.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 3.7220 -2.7710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4270 4.2550 -4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 4.6820 -4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 5.2870 -3.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1530 6.3110 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 4.3790 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 5.2150 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 3.3040 -2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 5.2430 -3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 4.1100 -1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 0.1300 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 -0.5120 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -0.1420 -1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 1.7960 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.8030 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 1.6530 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -0.4240 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -1.7740 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 0.9920 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -0.4890 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -1.5920 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.1110 -2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 3.4680 -4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 5.1120 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 3.8170 -5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 5.4320 -5.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 4.5720 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 5.6750 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 5.9920 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 2.7410 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 3.7780 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 2.6280 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 5.8380 -4.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 5.6490 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3380 4.2120 -3.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 3.7620 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 5.1940 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 3.6500 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 1.2060 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -1.5880 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 -0.0880 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 -0.3180 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 0.3150 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 0.2820 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -1.2180 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 M END