MDPI-ZINC04292928 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1400 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1450 -2.4530 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -2.6830 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -3.6020 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -4.0450 0.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5950 -4.3900 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -2.7470 -0.6880 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0680 -2.9850 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -4.0070 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -5.3360 -1.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2880 -5.6960 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -5.1460 -0.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5890 -4.8530 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -6.4110 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -7.6820 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -7.3770 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -7.9930 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -7.6940 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -8.2850 -0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -6.6500 -2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -5.6270 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -6.3360 -2.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5000 -7.0420 -3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -1.7960 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -3.2530 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -1.8590 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -4.4670 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -3.0510 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -3.3570 -2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -2.0460 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -4.1610 -3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -3.6430 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -6.3780 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -6.4370 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -8.4340 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 -8.0600 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -8.7260 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -6.1470 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -7.1260 -3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -5.1160 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -4.9000 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -6.3040 -4.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -7.7520 -3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -7.5730 -3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -0.8430 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 -2.2320 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -1.6340 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END