MDPI-ZINC01719189 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.1120 1.2910 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.1210 -0.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.6050 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 0.1490 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -0.4880 3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.8970 3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -2.6470 2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.9970 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -2.7590 0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -2.6100 4.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -1.5360 6.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -0.3660 6.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.1650 7.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 0.9340 7.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.8580 6.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 1.6700 5.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 0.5640 5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 0.3380 4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 -0.3930 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 2.8830 6.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 3.8340 5.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 1.1030 8.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 1.7900 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.5120 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.6760 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 1.2330 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -3.7330 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -2.1140 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -3.3990 4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -3.0740 3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -1.3780 7.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -2.4750 6.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.8520 8.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 2.3660 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 1.3030 3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -0.5980 4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 0.1520 5.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 4.3670 5.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 3.3590 4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 4.5700 5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.9160 7.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -1.7260 5.3940 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9400 -2.2120 5.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 42 1 0 0 0 0 20 21 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 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END