MDPI-ZINC03850921 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 -0.1380 1.5980 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.0850 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -0.2060 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.5090 1.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2830 -0.1080 2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 0.0130 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 1.0790 0.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -0.7040 1.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -0.1960 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.8010 2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2170 -0.5860 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -1.9700 1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -2.6590 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -2.0690 1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -4.1330 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -4.8500 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -6.2250 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -6.8930 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -6.1890 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -4.8130 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -8.3690 0.6970 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3110 -8.9920 0.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -8.9600 0.5200 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8370 2.0600 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 2.0050 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 1.8090 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.3610 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 0.2400 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -1.2850 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 0.2170 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -0.4860 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -0.5320 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 0.9780 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -1.5560 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 0.8900 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 -1.8860 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -0.4230 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -0.5230 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -1.6720 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -0.1560 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -0.2080 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -2.4400 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -4.3290 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -6.7810 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -6.7160 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -4.2640 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 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 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END