MDPI-ZINC03850142 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.1150 1.4710 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.0560 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -0.4920 1.4260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7490 -0.3720 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -1.9430 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -2.5450 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -3.9550 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -4.5010 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -5.9460 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -6.4270 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -7.7810 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -8.6640 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -8.1960 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -6.8450 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -4.7700 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -3.8590 3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -2.6720 2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -1.9250 0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -0.5950 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 0.1300 -0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.3660 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 1.1340 3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 1.9210 4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 1.9390 4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 1.1710 3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.3880 2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -0.6380 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 1.8520 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 1.7720 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.8760 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -3.8790 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 -5.7390 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -8.1540 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 -9.7240 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -8.8910 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -6.4810 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -5.6410 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -5.0860 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -3.5020 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -4.4140 3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -3.0300 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -1.9800 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 1.1200 3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 2.5210 4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 2.5530 5.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 1.1850 3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -0.2100 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -0.2620 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -1.7250 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.3400 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 31 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 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END