MDPI-ZINC04266276 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 0.4910 1.4620 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -0.0330 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -0.5050 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -0.3740 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -0.0390 -1.2940 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8040 1.0300 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -0.3800 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 0.4990 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 2.0100 -1.5590 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4860 2.5170 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 2.2550 -3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3980 1.8730 -2.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 1.4800 -1.4770 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8500 0.1600 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 -0.9580 -1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 2.4330 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 2.1320 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 3.9310 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0540 1.4240 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -0.8210 -2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -2.0290 -2.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 1.6840 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 1.8000 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 2.0570 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -0.5730 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 0.0050 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -1.5830 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -0.3070 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.4430 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 0.1620 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.4360 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 3.3040 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 1.6470 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0230 2.7210 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6110 1.0430 -3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 2.7080 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 2.4110 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 1.0790 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 4.2760 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8990 4.1650 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 4.5420 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6250 0.7200 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1380 1.0860 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5350 2.4040 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -0.1470 -3.5430 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 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 M CHG 1 45 -1 M END