MDPI-ZINC03845883 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0840 1.7940 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 0.2720 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.1180 1.9080 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6690 0.5170 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 0.0850 3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -0.6400 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -0.5710 1.4040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0990 -0.4040 0.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 0.5840 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -1.9400 1.1050 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4510 -2.1370 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -2.0260 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -3.3480 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -3.4840 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 -3.3690 -2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -2.0720 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -1.9110 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -3.0410 1.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -2.7180 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -1.5870 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -2.4590 1.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -0.1140 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 2.3320 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 2.0490 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 2.1910 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.2640 4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 1.1530 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -1.6830 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -0.2670 3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 1.5070 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 0.8130 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 0.3550 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 -1.2110 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -4.2070 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 -3.3980 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 -4.4500 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -2.7070 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -4.2220 -2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -3.4120 -3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -2.0460 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -1.2210 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 -0.9310 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -2.6660 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 0.3200 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -1.2000 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 0.2300 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -1.7440 2.3980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 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 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 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 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 M CHG 1 47 -1 M END