MDPI-ZINC03845432 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 75 0 0 0 0 0 0 0 0999 V2000 1.7920 3.3480 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 1.8250 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 1.3160 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 1.3580 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 0.7860 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 0.1730 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 0.1260 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 0.7010 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 0.7850 -2.1620 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5330 1.4060 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 1.6400 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 0.5820 -4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -0.7300 -4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -1.6260 -4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -2.9490 -4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -3.8090 -5.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -3.5940 -6.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -4.3640 -7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -4.2400 -8.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -5.3380 -9.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2530 -5.7420 -10.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 -6.8040 -10.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 -7.4570 -9.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8160 -7.0560 -7.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 -5.9860 -7.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -5.4020 -6.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -5.8480 -5.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -4.4620 -9.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 -2.8710 -9.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -3.4320 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -2.6350 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -1.1430 -2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 -1.1050 -6.3670 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 0.2320 -3.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.1640 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.8010 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 3.6960 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 3.6320 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 1.8370 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 0.8190 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 -0.2710 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 -0.3550 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 2.6500 -4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 0.7660 -5.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -4.6560 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -2.8130 -7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 -5.2310 -11.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6140 -7.1220 -11.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1110 -8.2860 -9.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0370 -7.5710 -7.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -6.1420 -5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 -6.7000 -5.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 -5.0340 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -3.7160 -9.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -4.3690 -10.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -5.4590 -9.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 -2.7510 -8.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 -2.8000 -10.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 -2.0880 -8.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -4.4910 -3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -3.2840 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -2.8140 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -2.9470 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -0.9600 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -0.5630 -2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 0.3450 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -0.8260 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 0.7640 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 1.4940 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 0.0800 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 1.4460 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 19 29 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 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 M CHG 1 9 1 M END