MDPI-ZINC03845399 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 0.2470 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.8490 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -2.2790 0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6420 -1.5340 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -2.4380 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -3.6200 -0.7090 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1900 -3.9430 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -4.6650 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -6.0120 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -6.1250 -1.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -7.1910 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -8.4430 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -9.5420 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -9.4100 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -8.1750 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -7.0640 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -3.4630 -2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -3.7240 -3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -3.5800 -4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -3.1750 -4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.9140 -3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -3.0530 -2.3960 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 -4.5100 -2.8460 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -3.1160 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -0.4630 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -4.3860 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -4.7150 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -8.5480 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -10.5100 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -10.2750 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -8.0790 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -6.1000 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 -4.0400 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -3.7840 -5.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -3.0640 -5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -2.5980 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -2.8450 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -1.1280 2.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -1.2060 3.0860 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 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 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 33 46 1 0 0 0 0 46 47 1 0 0 0 0 M END