MDPI-ZINC03851447 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 0.5440 2.0820 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 0.6440 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 0.2600 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.1600 -1.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -1.5690 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -2.3310 -2.4940 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5520 -1.8860 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -3.8380 -2.2910 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9470 -4.0150 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -4.5310 -3.6690 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9040 -4.1580 -4.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -4.2010 -4.4940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2220 -4.6380 -5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -2.6730 -4.5560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5960 -2.2210 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -2.1550 -3.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -2.4280 -5.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -1.1760 -5.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -0.3180 -5.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 -1.0050 -6.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -5.9550 -3.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -6.6530 -4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -6.1700 -5.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -8.0900 -4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -4.4110 -1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -4.6970 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -4.4790 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -5.3050 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 2.2760 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 2.3210 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 2.7170 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -1.8060 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -1.8060 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -1.7080 -7.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 0.0140 -6.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -1.1610 -5.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -8.1620 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -8.6150 -5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -8.5550 -3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -6.2140 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -4.5830 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -5.5700 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -4.8150 -3.8320 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3170 -4.4700 -4.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -5.8410 -3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -4.5420 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 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 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 M CHG 1 43 1 M END