MDPI-ZINC04235216 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 2.3610 1.4000 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 0.0190 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.6800 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.0000 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 1.3810 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 2.0860 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.4840 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 4.1780 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 5.0160 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 5.7550 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 6.4970 2.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 5.6380 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 5.2870 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 3.9920 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -2.1600 -0.0890 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2660 -2.7610 0.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -2.7770 -0.3280 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2680 1.9450 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -0.5160 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -0.5490 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 1.9120 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 3.9600 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 5.1180 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3380 6.5870 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 4.8530 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 6.0960 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 5.1420 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 3.1760 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 3.7550 -1.9020 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END