MDPI-ZINC03845769 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0020 1.5300 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.0000 -0.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0100 -0.3740 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.5060 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -2.0360 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -2.5340 -0.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5070 -2.1600 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -2.0280 -1.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2700 -2.4020 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -0.4980 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.4930 -2.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -2.7010 -3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -2.4930 -3.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.1770 -4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -3.3860 -5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -3.8650 -7.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -4.0820 -8.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.5310 -9.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -4.7670 -9.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -4.5540 -8.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -4.1000 -7.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -4.0640 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -4.5690 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -4.5900 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 1.9050 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.8910 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 1.8850 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -0.1320 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -0.1510 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -2.3970 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -2.4100 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.1370 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -0.1240 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -3.3620 -4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -3.2010 -5.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -3.8990 -8.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -4.7000 -10.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -5.1180 -10.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -4.7400 -8.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -3.9300 -6.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -4.4200 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -4.2920 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -5.6540 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -4.1210 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -4.2300 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -5.6800 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -4.2340 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 M END