MDPI-ZINC03844593 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 0.1750 1.5190 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 0.1540 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -0.5420 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 0.1340 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.5130 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 2.1960 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -0.6020 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 0.0510 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1740 -0.6860 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -2.0770 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 -2.7670 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5480 -2.0540 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 -0.6700 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 0.0100 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 1.4850 -0.2880 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2240 2.0850 -0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 2.1990 0.0910 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5660 -2.9700 -0.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 -2.7490 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0940 -4.2300 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 -4.1410 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 -5.1710 0.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8700 -5.4680 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1630 -5.5470 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8830 -6.7150 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3370 -7.8100 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0620 -7.7420 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3230 -6.5850 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 2.0600 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -0.3670 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -1.6070 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 2.0420 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 3.2610 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -1.6680 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 1.1160 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -2.6180 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3890 -0.1220 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 -5.5350 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5900 -4.6950 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8770 -6.7780 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9080 -8.7220 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6450 -8.6000 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3280 -6.5360 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 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 36 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END