MDPI-ZINC03847522 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7320 -0.5080 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -0.9800 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -1.3690 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -1.9140 3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 -2.1640 4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -1.8860 5.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.3460 4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.0870 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.5680 2.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -0.2850 2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -2.1550 6.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 -2.6940 5.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -1.0500 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -0.1630 -1.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2720 0.8850 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -0.4150 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -1.1370 -3.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -0.5300 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -0.8310 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 -2.1310 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -1.1360 5.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -1.4190 7.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -2.0340 5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -0.6870 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -2.0800 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4820 -1.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -1.4720 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 0.1630 -2.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -0.6620 -1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -1.0040 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 -0.0280 -3.6670 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 20 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 31 32 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 M END