MDPI-ZINC03850355 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 0.5760 2.4960 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 1.1310 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 0.2710 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 0.7820 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 2.1620 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 3.0090 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -0.1290 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -1.3250 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 0.4260 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 -0.7070 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 -0.9920 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8860 -2.0300 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1220 -2.7840 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4460 -2.5000 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -1.4640 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 -1.1620 -2.4960 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0860 -1.7550 -3.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -0.3220 -2.5020 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1160 -3.9160 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 -4.0070 1.2890 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4710 -5.1150 -0.3110 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1350 -3.6750 -0.9230 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 3.1640 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 0.7380 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -0.7940 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 2.5640 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 4.0750 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 0.9690 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 1.1020 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 -0.4030 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4140 -2.2520 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 -3.0880 -2.0930 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 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 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 15 2 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END