MDPI-ZINC03845361 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0740 1.4780 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -0.0520 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.6120 1.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7700 -0.4320 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 0.0200 2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -0.0080 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -0.6710 0.3440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0000 -2.1150 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -3.2210 0.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.0800 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -4.0700 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -3.1990 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -3.8910 2.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -3.5270 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -4.7000 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -5.0000 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -4.1420 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -2.9780 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.6690 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -0.4760 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -0.6420 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 1.8600 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 1.8120 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 1.8500 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.5810 3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 1.0450 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -0.6220 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 1.0040 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -5.3700 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -5.9070 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 -4.3810 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -2.3110 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -1.7620 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -0.9310 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -0.9480 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 0.5890 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -0.2750 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -1.7300 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -0.3420 -2.1970 H 0 0 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 7 1 0 0 0 0 2 21 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 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END