MDPI-ZINC04701252 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 0 0 0 0 0 0999 V2000 -0.7220 1.1740 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 0.1320 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -0.3730 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 0.1360 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 1.2550 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 1.7370 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 1.9180 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 3.2530 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 3.8730 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 5.2500 -1.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 5.8650 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 5.6510 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 6.9110 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 6.9380 -4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 5.7580 -4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8910 4.5080 -4.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 4.4630 -3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 3.3810 -2.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -0.4050 0.7780 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -1.4230 0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -2.3700 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -3.4470 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -3.6190 1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -4.6540 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -5.5430 2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -5.4270 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -4.3870 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -4.2640 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -3.2310 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -2.2910 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -1.2680 -2.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -3.0930 -2.5420 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -4.2980 -3.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -3.0110 -1.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -6.8780 3.9320 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -7.8750 3.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -7.2710 4.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 1.5580 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -0.2980 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -1.1860 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 2.5590 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 1.2660 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 3.8780 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 7.8250 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1090 7.8960 -4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 5.8090 -5.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 3.5880 -4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -2.9330 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -4.7610 3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -6.1470 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -4.9680 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -1.3230 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -1.8430 -3.1780 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0950 -6.2010 5.0570 O 0 5 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 M CHG 1 53 -1 M CHG 1 54 -1 M END