MDPI-ZINC04265200 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.6740 -0.7360 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -0.3300 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 0.5640 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 1.1460 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 0.4870 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 1.0680 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 2.3280 3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 2.9850 2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 2.4130 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 4.2300 3.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 3.0070 4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 4.1570 4.9700 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9860 -0.9750 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -0.2350 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -0.7330 -3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 0.1000 -4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.3320 -6.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -1.5960 -6.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -2.4340 -5.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.0350 -3.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -2.8720 -2.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -2.3810 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -3.0630 -0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -4.2530 -2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -5.0830 -3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -6.4360 -3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -6.9790 -2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -6.1740 -1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -4.8210 -1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 1.0450 -2.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -1.4610 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.1730 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 0.1340 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -0.4880 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 0.5400 3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 2.9520 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 4.4390 3.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 1.1070 -4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 0.3250 -6.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -1.9310 -7.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -3.3950 -5.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -4.6910 -4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -7.0670 -4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -8.0320 -2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -6.5980 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -4.2130 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 1.1850 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 2.4220 5.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 48 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M CHG 1 12 -1 M END