MDPI-ZINC03848555 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 0 0 0 0 0 0999 V2000 1.3930 0.5490 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -0.7840 1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -1.6180 1.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -1.0500 1.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -2.3460 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -2.2020 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -3.5510 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 -4.5680 0.5040 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2000 -5.2660 0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -4.7290 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -3.3660 2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -5.2490 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -5.7180 2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -3.9360 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -3.4500 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 0.5800 2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 1.3460 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 0.6860 3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -0.3840 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -2.6870 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 -1.8850 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -1.4580 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -3.4520 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -3.0390 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -4.4300 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -5.6580 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -6.0290 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 -6.6830 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -5.8360 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -5.3410 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -3.7200 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -5.0000 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -3.3620 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -2.6850 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -4.4100 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -3.1810 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 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 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 M CHG 1 8 1 M END