MDPI-ZINC03845178 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0200 -0.6140 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6690 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1190 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6960 -2.5130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8460 -2.2760 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -4.1950 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -4.9890 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -6.3640 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -6.9440 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -6.1490 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -4.7750 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -6.7820 -2.6440 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5830 -6.0790 -3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -7.1410 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 -7.6410 -1.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 -8.0030 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -7.9060 0.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8240 -8.5310 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -7.9850 -3.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -8.3260 -4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -7.6410 -4.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -9.5620 -5.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -2.3600 -3.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -2.2130 -4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -2.3600 -5.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -1.8640 -5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.4460 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.4700 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -4.5360 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -6.9850 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -8.0180 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -4.1540 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -6.2540 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -7.9090 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1740 -8.5460 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 -7.8860 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 -9.5420 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -10.0460 -4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -9.2850 -6.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -10.2500 -4.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -1.7720 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -0.9180 -5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -2.6490 -5.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END