MDPI-ZINC04273410 MOE2007 3D CORINA 3.40 0006 02.08.2006 98103 0 0 1 0 0 0 0 0999 V2000 -6.7900 1.3500 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1080 0.7020 0.5860 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.4330 0.3090 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6440 -0.6240 1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7500 0.0030 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0340 -0.5040 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0760 0.0420 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8290 1.1040 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5460 1.6050 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5040 1.0560 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1260 1.6410 0.1050 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0590 2.5670 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8750 1.9430 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5830 2.7040 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 2.3280 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4790 3.0200 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 4.0950 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 4.4770 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 3.7760 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 5.6260 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 5.4260 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 6.4990 2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 7.7740 1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 7.9840 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 6.9150 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 7.1190 -1.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 6.2810 3.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 6.7700 4.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6730 7.7820 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 6.7810 5.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 7.2320 6.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 7.2620 7.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 6.8370 8.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 6.3880 7.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 6.3590 6.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 5.8560 5.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 6.2750 4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 5.8830 3.5980 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0960 4.4950 3.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 6.0020 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 6.8640 9.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 6.4130 10.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 7.7050 8.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 8.1250 7.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 4.7750 -1.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8450 1.6450 -1.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5170 2.7330 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3340 -0.4570 0.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5110 -1.5470 1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0890 -0.4890 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 0.7680 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4350 1.4070 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8700 2.3560 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5830 -0.2100 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6700 1.1960 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3580 -1.5740 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9960 -0.7970 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2230 -1.3280 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3530 2.4290 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8110 1.0070 -1.9300 H 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 -3.5900 5.3580 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 7.0330 10.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 6.4870 11.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 5.3760 10.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8030 8.4540 8.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 8.9500 7.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 7.2930 7.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 5.5180 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1040 3.5540 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7800 2.4030 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4160 3.0700 -2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5590 -1.8480 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8940 -2.3880 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2160 -1.2370 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 -1.1870 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0680 -0.9680 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8520 -0.1950 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 54 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 56 1 0 0 0 0 4 57 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 58 1 0 0 0 0 7 8 1 0 0 0 0 7 48 1 0 0 0 0 8 9 2 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 59 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 62 1 0 0 0 0 16 17 1 0 0 0 0 16 63 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 64 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 65 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 66 1 0 0 0 0 24 25 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 26 68 1 0 0 0 0 27 28 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 38 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 71 1 0 0 0 0 32 33 1 0 0 0 0 32 43 1 0 0 0 0 33 34 2 0 0 0 0 33 41 1 0 0 0 0 34 35 1 0 0 0 0 34 72 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 38 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 42 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 43 44 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 44 88 1 0 0 0 0 45 89 1 0 0 0 0 46 47 1 0 0 0 0 47 90 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 48 49 1 0 0 0 0 49 93 1 0 0 0 0 49 94 1 0 0 0 0 49 95 1 0 0 0 0 50 96 1 0 0 0 0 50 97 1 0 0 0 0 50 98 1 0 0 0 0 M CHG 1 2 1 M CHG 1 38 1 M END