MDPI-ZINC03847261 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3760 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -0.7190 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 0.0120 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 1.4220 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 2.1190 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 1.8680 -0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0880 1.9910 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 3.1100 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 3.1200 0.9820 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0460 4.1150 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 2.1480 0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 0.6960 0.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5970 0.1930 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 0.6330 0.5790 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3940 0.6290 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -0.4550 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 0.1700 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 1.1420 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 2.3970 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 3.4730 -1.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 2.7170 2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 1.7420 2.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 1.8900 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.5420 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.7990 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 3.1990 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 3.9940 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 3.1000 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -1.3080 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 -0.8560 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 0.2520 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2300 0.7260 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0770 1.3550 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 3.4420 3.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 3.1450 4.3160 H 0 0 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 35 36 1 0 0 0 0 M END