MDPI-ZINC03847516 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1970 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4210 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.8400 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 0.7250 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -0.3750 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 -1.2940 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 0.7580 -0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4270 0.0200 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8120 3.1480 -0.4370 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8810 2.8990 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 3.2380 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 4.4730 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 4.6330 0.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 0.4550 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 1.3560 -2.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 3.1740 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 3.8540 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 3.6700 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 2.1040 0.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 2.2510 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 5.4770 -1.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6030 -0.8150 -1.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 -0.9600 -2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 6.3080 -0.8640 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 26 27 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 M END