MDPI-ZINC03845917 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 -1.4260 0.0450 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 0.0510 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 0.7280 0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -0.7960 -0.9660 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5520 -0.5110 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -1.6710 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -2.8950 -1.8520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9440 -3.5060 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -2.3510 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -2.6920 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -3.0430 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -3.7980 -2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -3.2140 -3.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -0.3520 -2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 0.3620 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 -0.9400 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 0.7570 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 0.4510 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -0.4890 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -1.4390 -3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -1.8320 -2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -2.3660 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -3.7760 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -2.2300 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -2.9060 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -4.1230 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -2.6670 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 0.7350 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -0.8090 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -0.6000 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -5.0370 -2.7280 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 M CHG 1 31 -1 M END