MDPI-ZINC04273405 MOE2007 3D CORINA 3.40 0006 02.08.2006 84 89 0 0 1 0 0 0 0 0999 V2000 -8.8550 2.8580 4.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6180 3.6440 5.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 3.1430 6.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 2.5560 4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 2.5960 4.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 2.0710 3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 1.5470 2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 1.5390 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2410 1.9640 3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7580 1.7540 3.9370 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2190 2.2230 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1860 0.2540 3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 -0.5020 5.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7280 -0.7820 6.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 -1.4610 7.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 -1.8740 7.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -1.6200 6.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 -0.9430 5.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 1.0780 1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8290 1.9550 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 1.3900 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 0.0080 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -0.8360 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 -0.2920 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 -1.1400 1.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -2.1860 -0.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 -2.7760 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3630 2.2590 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8830 3.4740 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 3.4850 0.6330 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0760 3.7300 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 4.0600 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 3.9760 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 5.1120 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 5.0280 -3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 3.8150 -3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 2.6860 -2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 2.7660 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 5.5970 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 1.0010 1.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 2.0270 3.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 2.4340 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8840 3.5970 4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2560 3.2750 5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4160 1.9620 4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1480 4.0560 6.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5780 4.3940 4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 3.9880 6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 2.3820 6.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 3.0370 5.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2760 0.1910 3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8040 -0.2990 3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7700 -0.4920 6.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0900 -1.6790 8.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 -2.4080 8.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -1.9570 6.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -0.7790 4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0310 -0.3790 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -2.0350 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 -3.8380 -1.3560 H 0 0 0 0 0 0 0 0 0 0 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0 3 0 0 0 0 0 0 0 0 0 0 -7.4240 1.8000 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 4.2810 -0.2840 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1780 4.5040 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 81 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 2 47 1 0 0 0 0 2 81 1 0 0 0 0 3 4 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 81 1 0 0 0 0 12 13 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 54 1 0 0 0 0 16 17 2 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 29 83 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 83 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 36 37 2 0 0 0 0 36 71 1 0 0 0 0 37 38 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 39 83 1 0 0 0 0 40 77 1 0 0 0 0 41 42 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 81 82 1 0 0 0 0 83 84 1 0 0 0 0 M CHG 1 81 1 M CHG 1 83 1 M END