MDPI-ZINC04266275 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.2520 -2.6860 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -2.1200 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -2.4310 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -0.5970 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -0.1600 -1.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9880 -0.5400 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 -0.6400 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 -1.3720 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -1.9020 -2.3900 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8250 -1.4400 -3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 -3.4400 -2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 -3.8740 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 -2.5320 -1.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4580 -1.8100 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 -1.6570 0.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -1.7040 -2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5180 -2.2880 -3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 -0.2270 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7810 -2.6600 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 1.3820 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 2.0480 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -3.7530 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -2.5890 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -2.1750 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -2.6300 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -1.9550 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -2.0740 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -3.5110 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -0.2410 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -0.0940 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -0.3400 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 -3.9020 -3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -3.7470 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -4.5740 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 -4.3750 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 -3.3500 -4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6070 -2.1770 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 -1.7590 -4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 0.3340 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 -0.1540 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 0.2960 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8940 -3.2620 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2280 -1.6820 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3620 -3.1400 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 1.7980 -2.3070 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