MDPI-ZINC03846803 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4270 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6870 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.0490 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 -0.6670 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9700 -2.0660 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -2.6020 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -1.8980 -0.0380 O 0 3 0 0 0 0 0 0 0 0 0 0 4.5160 -4.0740 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -4.6340 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 -6.0060 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 -6.8250 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -6.2760 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -4.9050 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4090 0.0120 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4680 1.2240 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9850 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 1.1290 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8420 -2.7030 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -3.9950 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -6.4400 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -7.8980 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 -6.9210 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 -4.4780 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 -0.7170 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3760 -0.2310 -0.0880 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 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 24 1 0 0 0 0 6 25 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 26 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 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 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 12 1 M END