MDPI-ZINC03845332 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -0.6030 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 0.0720 -1.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -2.0640 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -2.9360 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -2.6900 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -3.7570 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -5.0760 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -5.3160 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -4.2540 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -4.1990 -1.5740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -4.9720 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -2.9060 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -2.4710 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -3.0240 -3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -2.6130 -4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -1.6550 -3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -1.1020 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -1.5080 -1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -6.1440 0.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -3.5080 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -2.2490 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 -1.9990 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 -0.6920 2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1550 -0.4660 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 -1.5300 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5850 -2.8270 3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4070 -3.0690 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -1.6770 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -6.3290 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -3.7720 -4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -3.0400 -5.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -1.3370 -4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -0.3540 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -1.0800 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -5.9780 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -7.0520 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.3360 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 -1.4210 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 0.1390 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 0.5440 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8780 -1.3460 4.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2160 -3.6520 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 -4.0820 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 M END