MDPI-ZINC01593596 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 3.6000 -1.7790 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 -0.3570 -1.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1570 0.3760 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 0.2280 -0.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 -0.0660 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 0.1140 2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 0.8640 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 1.3280 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 1.9550 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2230 2.1220 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 1.6610 -1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 1.0280 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -1.5620 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -2.0000 -3.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -3.1060 -3.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1530 -3.7730 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7510 -3.3340 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2510 -2.2260 -1.4570 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 7.0260 1.1990 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2030 2.3160 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1780 2.6130 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9810 1.7920 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 0.6640 -2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -1.4790 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -3.4490 -4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 -4.6370 -3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6100 -3.8550 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -1.8810 -0.5480 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