MDPI-ZINC03847520 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 0.4720 1.3490 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.0580 -0.1140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7840 -0.5550 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -1.4450 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -1.6030 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -2.3460 3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -2.2540 4.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -1.4590 5.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -0.7240 4.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -0.8130 3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -0.2160 2.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 0.3830 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -1.3990 6.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -2.9400 5.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -2.0470 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -2.2220 -1.1960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4600 -3.0300 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -2.5080 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -1.5320 -3.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 0.0000 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 0.6120 1.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 1.3730 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 1.7220 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 2.0630 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 -2.9610 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.1110 5.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -1.9890 6.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 -3.4570 4.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -1.4000 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -3.0200 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.9650 -1.3090 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7140 -1.2230 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -0.5060 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -3.6070 -2.6970 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1610 -0.6290 -0.7390 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 34 -1 M CHG 1 35 -1 M END