MDPI-ZINC03845560 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 1.3450 0.7840 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -0.7140 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -0.9120 0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -2.1790 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -3.0930 0.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -2.4620 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -3.9510 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -4.6330 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -6.0000 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -6.6840 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -6.0020 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -4.6360 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -3.9070 2.4830 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7150 -4.4940 3.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 -2.7190 2.4900 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.1540 -8.1730 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -8.8860 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -8.2510 -0.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -10.2280 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -10.8480 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -12.3700 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -6.7300 -2.4840 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3990 -7.8390 -2.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -6.2210 -3.4350 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4060 0.9320 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.2190 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 1.2670 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -1.1980 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -1.1500 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -2.0020 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -2.0490 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -4.0990 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -6.5360 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -8.4640 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -8.4420 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -10.5270 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -10.5490 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -12.8350 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -12.6900 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -12.6680 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 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 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 22 1 M CHG 1 24 -1 M END