MDPI-ZINC03850132 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 0.0770 -0.0510 1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.2950 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -0.2080 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -0.2360 -0.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7580 0.0530 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 0.4830 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 1.5250 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 2.2000 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 1.8450 1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 0.8180 2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 0.1440 1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -1.7970 -0.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4610 -2.1880 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -2.2960 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -3.8260 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -4.5430 -1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -4.0280 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -2.5240 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -1.9760 -2.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 1.8400 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 2.5250 1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 0.2370 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 0.4780 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -1.1240 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -1.2770 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -0.0320 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 0.3040 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 1.8320 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 3.0100 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 2.3730 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 0.5430 3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.6550 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -1.8810 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -1.9810 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -4.1290 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -4.1410 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -5.6220 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -4.3830 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -4.2840 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -4.4550 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 2.2390 -0.9560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 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 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 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 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 M CHG 1 41 -1 M END