MDPI-ZINC03845194 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.2980 1.7350 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 0.4030 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -0.2560 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 0.4210 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 1.7590 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 2.4120 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -0.2430 0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 0.5010 0.3090 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1020 1.5070 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 0.5840 1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 1.4190 2.0430 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7680 2.4930 1.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 1.0390 2.8010 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3430 -0.2070 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -1.5870 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 -2.2360 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 -1.5050 -1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 -0.1250 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3130 0.5240 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4240 0.6720 -2.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0400 1.6660 -2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6580 0.7940 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7280 1.4760 -2.2100 N 0 3 0 0 0 0 0 0 0 0 0 0 11.4840 2.4900 -2.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8610 1.0290 -2.1900 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7900 -0.0080 -3.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0190 0.1790 -4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3300 -0.5090 -5.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 -0.3230 -7.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4910 0.5470 -7.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 1.2340 -5.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9360 1.0480 -4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 2.2490 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.1230 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -1.2970 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 2.2880 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 3.4520 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -1.1960 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 1.0230 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 -0.4170 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6560 -2.1580 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -3.3140 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2550 -2.0130 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 1.6020 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4050 1.3690 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9950 -0.2000 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5670 -0.5870 -3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1690 -1.1890 -5.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 -0.8570 -7.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 0.6910 -7.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3390 1.9130 -5.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 1.5810 -3.8400 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 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 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 23 1 M CHG 1 25 -1 M END