MDPI-ZINC03847559 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 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 3.5600 -1.7290 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -0.7310 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 0.6110 -1.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 0.7790 -3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -0.3370 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 -1.4000 -2.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 -1.4600 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 -2.8250 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8270 -3.4930 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 -2.7960 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 -1.4300 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 -0.7620 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -0.0260 0.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -0.2990 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -1.1100 2.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6420 0.3950 3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 1.2060 2.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 0.1220 4.3840 N 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 3.1410 1.7620 -3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 0.6300 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -0.0190 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -0.6410 -3.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -3.3700 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8520 -4.5600 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 -3.3180 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8920 -0.8860 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7370 0.3060 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 0.6220 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -0.5260 4.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 0.5730 4.9680 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 20 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 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 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END