MDPI-ZINC03843866 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 0.0470 1.6410 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 0.1040 -0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7820 -0.3840 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 0.0850 2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.4360 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 0.0800 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -0.3760 -0.0080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9270 0.0730 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -1.8970 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -2.3740 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -3.0510 -2.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -1.9290 -1.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1460 -2.2570 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.3930 -1.2910 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1080 -0.0340 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 0.1000 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -0.1680 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -1.4290 -3.4760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6500 -2.4450 -2.3540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6220 -2.6890 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -3.6870 -3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -3.6590 -4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -2.2500 -4.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -1.8530 -4.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -1.0960 -4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 2.0020 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.9890 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 2.0200 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -1.4740 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 0.0110 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -0.3180 3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.1690 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -1.5260 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -0.0870 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -0.3290 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 1.1650 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -2.3680 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -2.1810 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 1.1700 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -0.4290 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 0.6830 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -0.2710 -2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -4.5920 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -3.6310 -3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 -4.3830 -4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -3.8860 -5.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -0.3660 -5.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -2.0030 -4.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.6810 -3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 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 18 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 18 23 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END