MDPI-ZINC03845884 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.1390 1.6860 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 0.1560 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.2880 1.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0370 -1.3160 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -0.2100 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -1.1240 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -0.6790 1.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3000 -0.4410 0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 0.5640 1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -1.8090 0.9740 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7900 -2.0600 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -1.3410 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0780 -2.3970 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 -1.9300 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -1.7280 -2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -0.6720 -2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -1.1400 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -2.9620 0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 0.6080 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 1.6080 2.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.2580 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 2.1190 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 1.9980 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 2.0290 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -0.5580 3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 0.8120 3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.1520 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -1.0800 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 1.3670 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 0.8820 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 0.3250 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 -0.4000 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -3.3390 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -2.5410 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 -2.6820 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 -0.9880 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -2.6700 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -1.3950 -3.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -0.5290 -3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 0.2690 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -0.3880 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -2.0810 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -2.8110 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 0.1940 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -1.3440 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 0.0810 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 0.2950 1.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 0.9000 1.6230 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 8 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 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 43 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 47 48 1 0 0 0 0 M END