MDPI-ZINC00048601 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.9040 2.8590 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 1.9850 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 1.2120 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 1.3120 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 2.1860 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 2.9600 -2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 0.4700 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -1.1000 -1.7620 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.7980 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -2.0040 -2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -2.5710 -2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9140 -3.0210 -2.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 -1.6480 -4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 -1.3660 -5.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -2.2350 -0.0290 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -3.5720 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 -4.1980 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -3.7080 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 -4.2830 4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 -5.3480 4.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9810 -5.8400 2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 -5.2680 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 3.4600 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 1.9060 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 0.5290 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 2.2650 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 3.6430 -2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 1.0000 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 0.2760 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -3.1690 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -4.3260 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 -2.8750 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -3.8990 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 -5.7970 5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -6.6720 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 -5.6540 0.7640 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 3 0 0 0 0 13 14 3 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END