MDPI-ZINC03844582 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 0.4190 1.5450 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 0.1680 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -0.5500 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.0870 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 1.4650 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 2.2110 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 3.5950 0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 4.2030 -0.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 5.5880 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 6.2180 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 5.5090 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 6.1540 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 7.5250 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 8.2600 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 7.6190 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 8.3520 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 7.7270 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 6.3600 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 5.7670 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 8.3820 -0.1080 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1970 9.2470 1.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3110 7.2970 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -1.8920 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 2.1020 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -0.3420 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -0.4630 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 1.9620 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 4.4360 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 5.5870 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 9.3310 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 9.4250 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 8.3030 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 4.8140 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -2.2590 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3550 9.0570 -1.4020 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 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 23 1 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 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 23 34 1 0 0 0 0 M CHG 1 35 -1 M END