MDPI-ZINC03844369 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 1.3500 0.7500 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -0.7660 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -1.0810 -1.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -2.3790 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -3.2240 -0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -2.7820 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -4.2410 -0.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -4.8330 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -4.1570 -0.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -6.3340 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -6.7430 -0.1910 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4410 -6.3230 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -8.2460 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 -8.8680 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -10.2330 -1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 -10.9620 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -12.1740 -0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 -10.3690 0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -9.0260 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -8.4880 1.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -11.1860 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -10.9070 -2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 -8.0610 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 -6.2260 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -5.5940 1.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 -6.4660 1.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0330 -5.9370 2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4950 -6.3090 3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.9860 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 1.1200 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 1.2240 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -1.2400 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -1.1360 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -2.3340 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -2.4370 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -4.7820 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -6.7820 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -6.6790 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -12.2400 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -11.0080 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 -10.9160 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7720 -11.0440 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 -11.8800 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2900 -10.3000 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 -7.1890 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3630 -8.6750 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2560 -7.7360 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -6.3600 3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9290 -4.8520 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 -5.8860 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5990 -7.3940 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8090 -5.9120 4.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 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 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END