MDPI-ZINC03845416 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 62 0 0 1 0 0 0 0 0999 V2000 -0.1580 1.1360 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -0.1570 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -0.7360 -0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -1.9720 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -2.5750 0.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -2.4540 -0.1980 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3620 -2.1160 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -3.9940 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -4.5840 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 -4.4930 -1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 -5.0190 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 -5.6440 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 -5.7500 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 -5.2250 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -1.8580 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 0.2880 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 1.8130 1.7600 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0180 2.0370 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 2.4510 2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 3.7670 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0660 3.8100 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 5.0250 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2350 6.2070 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2290 6.1760 2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 4.9620 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 2.2940 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 1.5660 1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 3.5780 2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 4.0940 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 5.5360 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 1.6190 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 0.9440 -2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 1.8300 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -0.8470 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.0480 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -4.3860 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -4.3570 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 -4.0170 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7100 -4.9490 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 -6.0590 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 -6.2500 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -5.3220 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 -2.2860 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -1.9820 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 0.0120 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -0.1310 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 1.7830 3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 2.5780 3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4140 2.8980 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4440 5.0490 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6950 7.1520 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 7.0980 3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 4.9610 3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 3.5040 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 4.0440 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 5.9770 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 6.1320 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 5.6010 3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -0.3830 0.8260 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8990 0.1000 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 -0.2050 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 59 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 59 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 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 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 M CHG 1 59 1 M END