MDPI-ZINC03846027 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 0.0610 1.5260 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.0040 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -0.5260 1.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0220 -1.3710 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.8270 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.5500 -1.3120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6720 0.4950 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -0.0700 -3.6830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8660 -1.0140 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 0.9100 -4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 0.7740 -5.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 1.6730 -6.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 2.7080 -6.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 2.8450 -6.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 1.9480 -4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -0.2890 -3.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -1.7590 -1.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -1.3940 2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 0.6310 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 0.8250 1.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -0.5160 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.8810 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 1.8840 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 1.9020 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -1.2250 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -2.4260 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 0.0940 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -1.5760 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 0.7450 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 1.3920 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -0.0350 -5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 1.5660 -7.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 3.4100 -7.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 3.6530 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 2.0570 -4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 0.5100 -3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -2.1470 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -2.2410 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -1.7580 2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.8010 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -0.1720 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -1.6060 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -0.1350 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 1.4460 2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 2.1740 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 44 45 1 0 0 0 0 M END