MDPI-ZINC04265836 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 10.0440 -4.2600 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 -4.8710 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 -4.2490 -2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 -3.0000 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 -2.3890 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 -3.0210 -1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 -2.3730 -1.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 -1.2690 -0.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 -1.2780 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 -2.4880 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 -3.2970 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -4.4680 2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 -4.9060 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 -4.1800 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 -2.9500 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -2.1830 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -2.8060 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -4.1900 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -4.7520 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -6.0970 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -6.8990 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -6.3560 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -5.0140 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.4380 0.7520 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0670 -5.2210 1.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -3.1420 0.9750 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4740 -8.3450 -0.9600 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5730 -8.8660 -1.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -9.1110 -0.7320 O 0 5 0 0 0 0 0 0 0 0 0 0 10.9840 -4.7530 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8730 -5.8370 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7260 -4.7270 -2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 -1.4230 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9600 -2.5500 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 -2.7610 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -0.3510 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 -2.9830 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 -5.0770 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 -5.8450 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 -4.5440 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -1.1080 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -2.2360 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 -4.1300 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -6.5310 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -6.9890 0.0660 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 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 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 27 1 M CHG 1 29 -1 M END