MDPI-ZINC04701252 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 0 0 0 0 0 0999 V2000 -0.5690 1.0920 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -0.1360 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -0.6390 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 0.0900 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 1.3400 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 1.8290 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 2.1200 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 3.3130 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 4.0920 -1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 5.3140 -2.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 5.8100 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 5.7030 -3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 6.8200 -3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 6.9120 -4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5340 5.8970 -4.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 4.7900 -3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 4.6740 -3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 3.7290 -2.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -0.4020 0.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 -1.6710 0.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -2.4960 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -3.6460 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -3.9330 2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.0140 2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -5.8370 2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -5.5860 1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -4.4800 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -4.1880 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -3.1160 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -2.2620 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -1.2000 -1.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -2.7940 -2.1350 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -3.4720 -3.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -3.0220 -1.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -7.2260 3.8080 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -8.1440 3.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -7.5600 4.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 1.4720 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -0.7020 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -1.5950 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 2.7840 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 1.7380 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 3.6950 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 7.6130 -4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 7.7800 -5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5170 5.9820 -4.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9460 4.0060 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -3.3020 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -5.2350 3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -6.2330 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -4.8240 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.4110 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.3070 -2.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -6.7520 5.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -7.4440 5.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -1.0060 -3.0710 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 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 32 53 1 0 0 0 0 35 36 2 0 0 0 0 35 37 2 0 0 0 0 35 54 1 0 0 0 0 53 56 1 0 0 0 0 54 55 1 0 0 0 0 M END