MDPI-ZINC04266229 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.4290 0.9420 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -0.2960 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.7810 -0.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -1.8700 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -2.4000 0.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -2.4320 -0.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2920 -2.1620 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -3.9560 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -4.5280 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -4.7720 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 -5.2970 -1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 -5.5780 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -5.3350 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -4.8140 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 -1.8650 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -1.1580 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -0.8240 -0.8240 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6270 -0.8980 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6300 -1.6920 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 -1.0590 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8300 0.1260 0.6780 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7410 -0.5410 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -0.5740 2.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 0.5980 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 1.6240 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 1.0830 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6680 1.1950 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.3060 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 0.6810 -2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 1.7200 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -1.0740 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -0.0350 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -4.3570 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -4.2260 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -4.5520 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -5.4870 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6840 -5.9880 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 -5.5540 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -4.6270 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -2.0320 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0240 -1.6360 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 -2.7270 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5070 -0.6900 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9050 -1.7810 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 1.7320 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 2.5860 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 1.2860 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6260 0.3720 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 2.0590 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2060 1.1630 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2160 0.7410 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0120 1.9760 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 1.6290 0.6740 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 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 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END