MDPI-ZINC04701267 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 9.8940 1.4380 4.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6130 0.0960 4.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8150 -0.5770 3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 0.1000 2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 1.4540 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3760 2.1150 3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 -0.6150 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1860 -1.7960 1.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8850 0.0960 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -0.5830 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -2.0540 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -2.7700 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -4.1500 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 -4.8350 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4370 -4.1340 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 -2.7400 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6030 -4.8140 0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6080 -6.1040 0.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 -6.7820 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7710 -8.1900 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9150 -8.8860 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1260 -8.2050 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3180 -8.9120 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4800 -8.2360 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5110 -6.8460 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -6.1140 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1440 -6.7880 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9530 -6.0770 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9530 -4.7220 0.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4000 -4.7230 1.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9680 -9.1390 1.4800 S 0 0 0 0 0 0 0 0 0 0 0 0 16.8310 -8.2750 2.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5760 -10.4220 1.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2670 -9.0590 0.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 -9.4010 1.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5440 -8.2980 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5160 1.9610 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 -0.4260 5.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5980 -1.6240 4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1730 1.9830 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5990 3.1620 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 1.1640 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6640 -0.0460 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -2.2420 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 -4.6980 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 -5.9150 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3450 -2.1930 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8980 -9.9660 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3150 -9.9910 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4440 -6.3340 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 -4.3310 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2220 -4.2580 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6040 -4.2180 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6210 -9.3580 0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6310 -10.3710 -0.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8700 -10.9300 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4530 -9.8500 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 33 2 0 0 0 0 31 54 1 0 0 0 0 34 35 2 0 0 0 0 34 36 2 0 0 0 0 34 55 1 0 0 0 0 54 57 1 0 0 0 0 55 56 1 0 0 0 0 M END