MDPI-ZINC04268235 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 76 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 0.0200 -0.6140 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6690 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1220 -1.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5590 -2.3930 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -2.6410 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -2.7250 -2.3200 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1620 -3.0120 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -3.7470 -3.1700 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0630 -4.6290 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -2.8790 -3.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7990 -2.6640 -2.2810 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5000 -1.8330 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -3.8240 -1.9200 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7150 -3.3350 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -4.4090 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -4.9380 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -5.4300 -2.7860 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4920 -4.2680 -3.1680 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0970 -3.4300 -3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -4.6770 -4.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -3.4510 -4.6850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0180 -3.7450 -5.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -2.4610 -5.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -2.5890 -6.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -6.5630 -2.1790 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8820 -6.9440 -2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -6.0780 -1.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -5.0160 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -7.6390 -1.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -8.7940 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -8.9030 -1.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -9.9540 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -5.9480 -4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -1.5300 -3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -0.7080 -4.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -1.4250 -3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 -0.3760 -3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -4.1130 -4.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -5.1870 -4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -5.8020 -3.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -5.6260 -5.4940 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 -1.3850 -3.6340 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -1.9750 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -2.4530 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -3.0500 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -3.9640 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -5.2210 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 -4.1390 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -5.7610 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -5.0560 -5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -5.4480 -3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -3.5630 -6.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -2.5000 -7.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -1.8030 -6.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -4.7300 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -5.4020 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -9.6630 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -10.7980 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -10.2410 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 -6.7680 -3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -6.3030 -4.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -5.1420 -4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -0.4070 -2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 0.5030 -3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -5.8660 -6.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -6.5080 -5.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -4.8210 -5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 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 13 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 29 30 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 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 70 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 M END