MDPI-ZINC03845883 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.2790 1.5410 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.0800 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 0.0240 1.8740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3850 0.8500 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 0.1800 2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -0.8910 2.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -0.8210 1.4340 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1480 -0.7080 0.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.3410 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -2.1240 1.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5880 -2.2690 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -2.0300 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -3.2510 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -3.1560 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -3.1120 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -1.8910 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -1.9860 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -3.2300 1.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -1.2740 2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -2.3230 1.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -0.4510 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 2.1060 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 1.5830 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 1.9710 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 0.0660 3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 1.1730 2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -1.8830 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -0.7230 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 1.2760 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 0.3920 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 0.1800 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -1.1230 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -4.1570 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 -3.2820 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 -4.0260 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -2.2500 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -4.0190 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -3.0450 -3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -1.8600 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -0.9840 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -1.1160 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -2.8920 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -3.1690 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 0.0750 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -1.5180 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.2840 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 -1.2660 2.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -2.1240 2.5210 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 8 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 47 48 1 0 0 0 0 M END