MDPI-ZINC03852434 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 0.0140 1.3780 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 0.0290 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -0.6470 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 0.0340 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 1.3820 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 2.0530 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 3.4980 0.6140 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2130 4.0900 0.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 4.0940 0.6400 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6360 -0.6840 -0.5640 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5780 -0.5910 0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3680 -1.5670 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1360 -2.0150 -0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.7560 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -4.0460 -1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -4.0510 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -2.8400 -0.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -5.2000 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -5.0630 -1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 1.9060 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.4980 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 1.9120 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -2.4060 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -4.9070 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -6.4080 -1.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -7.1350 -1.7810 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END