MDPI-ZINC03846034 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.4920 0.6800 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.7120 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -1.0390 1.0990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5740 -0.1470 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -2.1420 1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -2.0460 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -0.8130 0.0720 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0420 0.4140 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -0.9170 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -1.7440 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -1.3730 1.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7430 -0.6080 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -1.3990 2.5650 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3020 -2.2010 3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -1.6520 2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 -2.9060 2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1540 -3.1660 2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 -2.1770 2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 -0.9290 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -0.6670 2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -0.1900 3.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -2.6370 0.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -2.7310 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -1.7350 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 0.6870 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 0.9900 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 1.4490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -3.1440 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -1.9990 2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -2.9680 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -1.9860 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 1.3230 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 0.2620 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 0.6170 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -3.6910 3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 -4.1400 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1180 -2.3790 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 -0.1580 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 0.3120 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 0.5480 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -1.6780 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.7650 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -1.5400 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -0.1410 -2.0800 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M CHG 1 44 -1 M END