MDPI-ZINC01719374 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0960 1.2500 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.1610 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -0.6170 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 0.1630 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -0.4450 3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.8530 3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -2.6310 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -2.0080 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -2.7940 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.5200 4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 -1.6250 4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 0.4260 4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -0.4980 6.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -1.7640 6.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -2.7570 5.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -3.9400 5.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -4.1240 6.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -3.1570 7.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -1.9760 7.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -3.4920 8.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -2.5280 9.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -5.2910 6.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 1.7280 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 1.4460 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 1.6770 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.2480 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -3.7170 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -2.1650 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -3.4740 4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -2.0490 5.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -1.4050 4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 0.9380 3.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 1.1850 4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 0.3900 6.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -0.5200 7.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -4.7170 4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -1.2080 8.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 -1.6000 8.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -2.9380 9.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -2.3400 9.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -5.2110 7.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -0.3050 5.3320 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7700 0.2900 5.7070 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 12 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 42 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END