MDPI-ZINC03845235 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0320 0.2560 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -1.2080 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -1.4240 0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -2.6650 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -3.5420 0.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -2.9640 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -4.4400 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -4.7400 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 -5.1780 3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -5.4540 4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -5.2880 5.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -4.8500 5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -4.5710 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -4.0950 4.9830 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2480 -3.2480 4.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -4.5520 5.8510 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4300 -5.5870 7.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 -6.7510 6.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 -6.5110 5.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2640 -6.8760 5.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -5.8970 4.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 0.4920 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 0.4180 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 0.9000 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -1.4440 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -1.8520 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -2.7510 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -2.3430 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -4.6530 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -5.0620 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -5.3060 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -4.7220 6.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 -4.7050 7.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -5.8550 7.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -6.8360 7.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -7.6760 6.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -5.7620 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 37 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END