MDPI-ZINC03847479 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.0980 1.5650 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 0.2210 0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -0.4020 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -1.7360 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -2.4930 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -1.9180 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -0.5830 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1710 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -2.7190 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 -3.0940 1.5080 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6410 -3.7160 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 -3.8610 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8590 -4.9750 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0570 -5.6940 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0900 -5.3040 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9480 -4.2320 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7440 -3.5160 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6220 -2.3610 3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -2.0010 3.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2750 -5.9880 1.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3450 -6.7800 -0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 -7.2040 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 1.9040 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 1.6320 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 2.2220 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -2.1920 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -3.5340 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 -0.1110 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 1.2020 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 -2.1620 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -3.6180 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0380 -5.2820 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7760 -3.9660 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1420 -1.4960 2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1170 -2.6070 4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.0570 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 -2.7840 4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1570 -6.6930 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7300 -8.0590 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1000 -6.4150 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4400 -7.5360 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 -1.8200 2.3240 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5100 -1.4660 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -1.0920 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 42 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 42 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 1 42 1 M END