MDPI-ZINC03845417 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 62 0 0 1 0 0 0 0 0999 V2000 0.1130 1.6130 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 0.1050 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.4620 -0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -1.8310 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -2.5530 -0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -2.2950 -0.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8010 -1.8080 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -3.8230 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -4.2240 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -4.2120 2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -4.5370 3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -4.8720 4.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -4.8890 3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -4.5690 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -1.8560 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 0.2030 -2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 1.6650 -2.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9370 2.2400 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 2.2270 -3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 3.7220 -3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 4.2760 -3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 5.6570 -4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 6.4970 -3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5880 5.9580 -3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7070 4.5780 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5020 1.6900 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 0.8460 0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 2.7390 -0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 2.8370 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7810 4.0630 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 2.0960 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 1.9000 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 1.9940 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -0.2650 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -0.1720 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -4.1960 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -4.3460 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -3.9470 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -4.5270 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -5.1220 5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -5.1520 3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -4.5850 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 -2.0260 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3530 -2.3450 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4250 -0.4190 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 0.1260 -3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 1.7700 -4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8300 1.9570 -2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 3.6380 -4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 6.0800 -4.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 7.5710 -3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4060 6.6130 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6270 4.1790 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4810 1.9400 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 2.9360 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2340 4.1830 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 4.9650 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 3.9860 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 -0.3860 -1.2790 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1120 -0.1920 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 0.1190 -1.2200 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