MDPI-ZINC03846298 MOE2007 3D CORINA 3.40 0006 02.08.2006 86 87 0 0 1 0 0 0 0 0999 V2000 -0.5840 0.3890 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 0.5970 -0.3940 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2090 0.0100 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 0.1470 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 0.9720 -2.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 2.4530 -2.4590 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9910 2.6010 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 2.9030 -1.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1680 3.9590 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 2.0790 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 2.7060 -1.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 3.4990 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 4.3890 -0.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 3.2770 -1.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9080 2.2450 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 4.2210 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 5.6680 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 3.9000 -3.1140 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2970 4.1310 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 2.4370 -3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 1.8690 -3.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 1.6810 -3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9850 4.7280 -4.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 5.4390 -4.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 4.6750 -4.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 5.5920 -5.8930 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9920 6.5180 -5.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 4.9560 -7.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 3.6550 -7.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6870 3.2020 -8.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4560 3.9580 -7.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8350 4.5950 -6.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 5.8950 -5.8780 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2900 6.5830 -6.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4290 6.5320 -4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 6.8340 -4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 7.8320 -4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 2.6890 -6.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 3.5550 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 4.3860 0.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 2.7950 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 3.2780 -3.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 2.8820 -4.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 4.7660 -3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 0.7650 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 0.9290 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -0.6740 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -0.9090 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 0.2950 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 0.8240 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 0.6510 -3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 2.2270 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 2.4000 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 4.0900 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 5.7990 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 6.3400 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 5.8960 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 2.3350 -2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 0.8190 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.3440 -4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 4.7400 -7.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 5.6440 -8.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 3.0320 -7.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 4.6470 -8.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5950 3.9060 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 4.8100 -6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1890 5.8430 -3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1680 7.5230 -5.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 7.2880 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 5.9080 -4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 7.6160 -4.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 8.2850 -3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8840 8.5200 -5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 2.6650 -6.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 1.6900 -6.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 3.0240 -5.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 3.3330 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 2.7000 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 1.8030 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 3.0870 -4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 3.4700 -5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 1.8230 -5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 3.0740 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 5.0360 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 5.3550 -4.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 4.9650 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 33 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 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