MDPI-ZINC03845417 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 61 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4310 -2.1110 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -3.9610 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -4.4300 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -4.7190 2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -5.1490 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -5.2900 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -5.0010 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -4.5760 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -1.9660 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -0.0270 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 1.4880 -2.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8220 1.9660 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 2.0120 -3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 3.5160 -3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 4.2780 -3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 5.6580 -3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 6.2760 -3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 5.5140 -2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6320 4.1340 -2.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6770 1.8010 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 0.9050 -0.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9820 3.0750 -0.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 3.3030 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 4.8050 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -4.3910 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -4.2800 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -4.6090 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -5.3740 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -5.6250 4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -5.1110 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -4.3540 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -2.2120 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -2.4660 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -0.5130 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -0.2590 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 1.7080 -4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 1.6010 -3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 3.7950 -4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 6.2530 -4.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 7.3540 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 5.9960 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 3.5380 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7950 2.8000 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 2.9060 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7190 4.9750 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 5.3070 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5550 5.2020 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -0.5130 -1.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -0.2530 -0.3010 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 M END