MDPI-ZINC04266270 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.5480 2.4730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0460 -2.1240 3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -4.0510 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -4.6480 3.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -3.9670 4.8020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5370 -2.9410 4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -4.1880 4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -5.7070 4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -6.2440 5.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6700 -6.0980 3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -6.9920 3.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -5.0210 5.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -5.1620 6.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -4.7420 7.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -7.6190 5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -2.1290 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -1.4900 1.4550 O 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 -1.0200 -0.3810 0.0100 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -4.6450 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -3.6230 5.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -3.9010 3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -5.8910 5.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -6.1690 3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -4.2080 6.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -5.9210 6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -5.4590 5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -4.7490 7.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -5.5120 7.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -3.7660 7.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -8.3640 5.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -7.8800 5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -7.5920 6.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 -2.4650 3.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 -2.1740 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 45 46 1 0 0 0 0 M END