MDPI-ZINC03847380 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 1 0 0 0 0 0999 V2000 0.0060 0.9500 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 1.2570 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 1.9240 3.7250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3050 2.9840 3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 1.1570 4.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 1.1560 5.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 0.2650 6.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -0.6050 7.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -0.5930 6.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 0.2920 5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 0.5060 4.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 1.7550 3.7880 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5340 2.5500 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 1.8190 2.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9010 2.8700 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.0470 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 1.3400 2.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 1.8100 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.1370 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.3690 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.2390 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.6380 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 0.1650 2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 1.8150 5.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 0.2370 7.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -1.2900 7.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -1.2540 6.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -0.0680 4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -0.0320 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 1.2110 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 1.5410 1.2430 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6980 2.5590 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 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 27 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 28 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 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 31 1 M END