MDPI-ZINC04701291 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 0.1590 1.4940 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0420 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -0.6920 1.3140 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6270 -0.5010 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -2.1860 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -2.1400 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.6090 0.3050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7570 -0.0880 1.7380 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4900 -0.7240 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -0.1760 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0980 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 0.5340 4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -0.3880 5.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -0.1970 6.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 1.2400 1.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -0.2980 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -0.5500 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 1.7710 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 1.9330 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 1.9930 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -2.7070 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.7170 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -2.6510 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -2.6410 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -0.0290 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 1.5600 5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 0.5320 4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 1.6550 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 -0.7220 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -0.7210 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 0.7800 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -0.2970 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -1.6280 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -0.0780 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -1.2130 6.1540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 15 28 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 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 M CHG 1 35 -1 M END