MDPI-ZINC01763231 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 36 0 0 1 0 0 0 0 0999 V2000 -0.0510 1.3010 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.0810 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -0.7330 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0490 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.4370 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 2.0720 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 1.8880 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.7790 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -0.3230 0.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -1.2730 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 0.7810 0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4270 0.5150 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -0.0530 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9470 0.6870 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 2.1320 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2070 3.0770 -1.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 2.1290 -0.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 3.3040 0.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7220 3.1340 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 3.2680 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 4.7040 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 5.4450 -0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 1.7910 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -0.6620 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -1.8090 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 3.1480 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 -1.0920 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -0.0670 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7510 0.3930 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 0.5410 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 3.5210 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.0000 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 4.9770 0.8990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 M CHG 1 33 -1 M END