MDPI-ZINC01593595 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5970 -1.7770 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 -0.3670 1.1530 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1920 0.3590 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 0.2270 0.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -0.0580 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 0.1320 -2.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 0.8610 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4390 1.3350 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 1.9600 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2350 2.1150 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5830 1.6450 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 1.0240 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 -1.5790 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 -2.0270 3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1230 -3.1380 3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -3.8010 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 -3.3530 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -2.2450 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9930 1.2140 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 2.3290 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1930 2.6040 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0320 1.7670 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8450 0.6600 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -1.5090 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -3.4880 4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 -4.6690 3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 -3.8710 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7170 -1.8970 0.3970 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 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 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END